#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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1 6437 1 10926 12376 8811 9388 1 1 12904 1 11929 14787 13279 18399 1 1 12447 1 1 1 9008 9888 9597 8992 9225 1 23400 26562 1 1 14018 11919 9449 8744 1 1 1 1 1 1 C24 H42 S 34628 44074 25928 26621 23238 25018 24181 22238 36165 35578 27217 28530 34538 30747 1 16272 21101 25692 23743 1 17931 5093 23572 23756 23224 22210 1 16894 17844 18682 19886 19711 16577 16099 37123 34757 27758 24588 21169 16963 42397 44565 28595 28162 1 15088 1 14547 38236 40415 19713 22572 21729 25836 7975 9135 27122 1 1 8605 62209 57983 24653 23256 33277 1 22740 22463 17820 19022 1 1 1 5032 1 8300 28558 25641 79753 81526 18944 1 1 14016 1 1 30313 26781 31987 31323 18795 21012 1 13598 17507 16392 23094 21559 14731 17902 1 21970 24727 26445 1 9248 20540 1 24011 24326 23569 26410 26151 26603 20597 20345 19783 22684 1 15585 20021 22434 16574 17188 1 8085 1 1 19019 20786 18068 18635 16385 16359 1 18045 16326 19665 23627 20914 16867 18189 15319 14915 385.3554@1.218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34353 31261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.1155@1.2401142 1 17838 1 23147 27934 7849 1 1 1 1 1 1 16605 1 1 13309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19639 8800 1 1 7516 1 1 20480 1 4618 1 10976 28209 17216 1 12041 1 1 12049 1 8679 1 21291 1 1 1 1 1 24353 1 1 1 1 1 1 1 1 1 1 1 1 13638 1 11069 15564 17291 1 21054 1 1 1 1 1 1 25158 21826 1 1 1 15226 7199 1 1 1 1 1 16559 1 1 1 1 1 1 1 1 11831 1 1 13472 18930 1 1 1 1 1 1 27050 1 1 1 1 1 1 1 6275 1 1 1 1 1 1 1 12112 1 1 1 1 1 327.3131@1.2193847 1 1 1 1 1 1 3755 1 1 1 1 1 1 1 1 1 1 4130 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3307 1 1 1 1 1 1 1 1 1 6374 1 1 1 1 1 1 1 1 1 3245 1 5463 4606 1 1 10461 1 1 1 1 1 1 1 4765 1 1 1 1 1 1 1 1 1 7346 7377 1 1 1 1 1 1 6244 1 3437 1 1 4464 1 1 4026 1 4240 1 1 1 1 4157 1 1 1 1 1 7989 1 1 1 1 1 1 4329 1 1 1 1 1 3401 1 1 1 2674 5302 1 1 1 4062 4224 1 1 1 2770 1 1 1 1 6529 1 1 1 1 366.3108@1.0995 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4894 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19935 1 1 1 1 1 1 1 1 1 1 5603 1 1 1 1 1 6151 6653 1 1 1 1 1 1 5224 1 1 7499 1 4479 1 1 1 4632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4079 4573 6966 1 1 1 1 5875 1 1 6878 11928 1 1 1 1 591.3652@1.221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88753 77276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 443.3952@1.0948334 1 1 1 1 1 1 1 1 1 1 1 17749 1 1 1 1 19225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18271 1 1 1 1 1 1 8851 1 1 1 1 10372 1 1 1 1 1 8888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14273 1 1 1 13543 12016 1 15273 1 8898 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21696 1 1 9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R] 1 1 1 1 1 1 18314 23605 22388 18168 5928 5569 10408 12794 9962 13598 8784 5410 10871 1 1 1 10254 9625 15330 15093 1 1 3093 4022 6213 4750 1 8754 1 1 18096 18222 11334 8102 27440 27390 19501 25425 1 1 10919 1 1 1 16064 14101 13983 21796 9327 1 7323 10338 6682 1 31073 33324 13680 1 10964 1 3595 1 1 1 1 1 1 1 5308 6157 30212 33514 8371 12519 4780 1 7898 12187 1 1 4510 7353 7506 11128 31768 27901 23371 23149 10588 8059 1 1 5188 1 4033 1 1 6826 1 11960 1 9063 1 4487 14140 16947 15676 15423 1 1 1 1 8460 6955 9336 8978 4366 1 10255 1 1 5768 6103 6530 23128 23151 5993 1 24656 23337 34150 34353 23187 16002 20274 15910 9627 11353 191.0962@1.23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.3246@1.234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18902 19760 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Sphingosine 9424 8035 10884 10231 11953 13222 12215 10820 13557 13446 10180 11505 10469 1 7941 8920 12600 10934 1 1 1 1 10265 10648 9710 1 9137 1 1 8886 8740 9529 10419 9664 1 1 14568 1 1 1 14454 11686 8616 10481 1 8774 11788 1 7836 1 10077 11492 10422 10089 10665 10357 1 11457 10208 8132 1 12374 14198 1 14876 14104 9552 9145 9212 9666 10422 1 7765 1 1 1 1 9194 12686 14271 9200 1 7265 8736 1 1 10017 11196 12405 11589 6661 8149 1 6742 9144 9074 1 1 9103 1 10947 8530 10534 9895 9041 9484 10068 10023 8941 13137 7533 10401 1 8042 10920 1 6699 8908 1 1 9336 8349 1 7634 9586 10595 8432 8019 1 1 7519 7129 5935 1 8776 1 1 7791 9251 10129 1 1 7362 8816 432.3452@1.2335004 22409 32145 31532 1 29073 26180 1 19171 29330 26384 11900 9741 28269 29411 29766 30292 1 30430 25675 1 26356 9007 1 27419 1 1 13100 30085 1 23913 27061 1 31355 33304 30143 29278 27650 26412 1 24635 25522 5011 1 1 31581 32031 26487 5272 30751 19774 26458 27146 29115 28021 1 1 21467 21962 1 1 10579 1 1 1 26299 6488 11958 1 25238 25368 24373 24959 27235 1 25953 26390 20579 19588 26056 29441 22168 21171 11036 26849 23553 27664 26087 19522 16241 23089 1 28083 1 19118 25683 28067 18520 22113 6429 21399 24810 1 20482 4119 34865 33572 24047 9415 20171 28277 1 22837 26008 23672 31032 31904 27850 27534 27346 25527 27866 24612 20841 22128 24075 21330 24759 25143 11816 29144 27878 1 24149 24478 32770 30060 30330 31953 22432 22885 22207 20533 1 1 507.4515@1.1805 5094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14420 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14332 14656 1 1 1 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20972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9104 1 1 1 1 1 1 5509 1 1 10519 1 1 1 1 5164 1 7601 1 1 1 1 1 1 1 1 1 1 1 1 1 6656 1 1 1 1 1 1 3895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3716 1 1 1 1 6064 1 1 1 479.4196@1.245 1 7341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5300 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10844 9670 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 291.2197@1.2441568 12522 11190 11090 13376 12345 1 10004 1 13014 1 1 1 1 12920 1 10745 10378 10636 10569 1 11986 1 11846 1 1 10807 8797 9056 1 11076 1 10263 1 1 1 1 12091 13389 1 6970 1 1 10699 10840 11013 1 5727 13333 12689 13285 13666 1 10901 1 1 1 1 1 9601 6345 16464 7481 14650 11900 12133 12210 1 1 1 1 11696 1 1 1 1 7750 10386 1 10267 10529 1 1 10022 1 12732 1 1 1 1 1 11640 11769 1 1 1 9293 1 9235 1 1 1 10062 9030 11365 9628 9323 11564 11040 1 1 10826 1 10557 1 10798 11979 11217 11922 8468 8084 10701 9697 10341 1 13312 10713 12304 1 12758 1 7144 10500 1 8557 9330 1 13369 12372 9147 10146 10903 10085 1 10921 404.3134@1.2495999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5110 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6685 7180 1 1 1 1 1 1 1 6002 1 1 1 1 1 1 2991 1 1 1 1 1 1 1 1 1 1 1 1 9838 7062 1 1 1 1 1 1 1 1 1 1 7332 3910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2931@1.252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37606 39122 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 583.2513@1.2545713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3409 4954 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 29168 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29485 1 425.0396@2.8098571 7380 1 1 1 10145 6869 1 1 1 1 1 4894 1 1 5172 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4074 1 5611 5427 5286 1 1 1 1 1 1 1 1 1 1 1 1 3470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3025 1 1 1 1 1 1 1 1 1 1 1 4444 1 1 1 3382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 598.1398@2.8571 1 9969 1 1 1 7011 1 1 1 1 1 5349 1 1 1 1 9358 1 1 1 3870 3025 1 1 1 3296 1 1 1 4362 1 1 1 1 1 1 7942 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.14@2.8788 1 1 1 1 1 306713 237042 1 1 190157 1 185589 1 1 1 1 1 1 1 1 1 1 1 1 1 125407 1 1 1 1 1 1 1 445303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 128682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 140982 1 1 165923 1 284923 1 1 1 1 1 1 1 1 1 1 184417 1 1 1 1 1 1 1 175379 1 1 1 1 269570 1 1 1 1 1 1 1 1 1 137636 1 1 1 1 1 1 1 1 1 148823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.0444@2.9182 1 1 1 1 1 64249 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28173 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52738 1 1 1 1 1 1 1 1 1 1 43286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84895 1 1 1 1 1 1 1 1 231.0576@2.9205 1 1 1 1 25510 23741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 407.0535@2.9125478 1 1 1 1 1 7688 1 1 1 1 1 5310 12526 11813 11313 1 13125 12193 7036 1 1 7106 1 1 1 1 3045 1 1 7774 1 1 1 7581 1 1 8489 7809 1 1 1 1 1 1 1 1 1 1 10913 11971 1 12401 1 1 1 1 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 6515 1 1 1 1 1 1 1 1 1 1 1 1 1 10620 1 1 1 1 1 1 1 1 1 1 6375 1 1 1 1 1 6537 1 1 1 1 1 1 1 1 1 1 1 1 7748 1 1 1 1 1 6707 1 19263 1 1 1 1 1 1 1 1 1 1 1 8579 1 1 1 1 1 1 1 1 1 21370 8334 1 1 1 1 1 1 1 1 1 1 1 1 1 492.2206@3.201 1 1 1 1 1 6854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.1724@3.2189999 1 1 1 1 29059 6694 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.1277@3.231 1 1 1 1 1 5328 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 597.1783@3.2325 1 1 11892 13568 17210 16207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.1713@3.27 1 1 1 1 1 7551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.2728@3.2910001 1 1 1 1 28325 27952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4643 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257.1018@3.5975142 1 1 1 9207 6009 7586 1 1 8200 7435 9275 1 1 1 1 1 8425 1 1 1 8339 6887 10149 1 1 1 9429 1 9897 1 1 9759 1 8401 1 1 7453 1 1 7369 1 1 1 1 6653 1 1 1 1 1 1 1 8548 1 1 1 10368 11634 8444 7713 1 1 7904 7255 9140 1 8024 9434 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8089 1 1 9046 1 10096 1 10161 8888 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8481 1 11016 1 1 1 1 1 1 573.1878@3.826 1 1 1 1 1 9379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.2309@3.836 1 1 1 1 1 8699 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.143@3.871 1 1 1 1 1 14121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.2313@3.8953333 1 1 1 1 32965 12612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.188@3.9060001 1 1 1 1 46147 8867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7-Methylguanine 42747 41914 1 65647 61885 58450 67832 66783 45191 44769 1 1 49633 55467 50910 52059 47635 1 35863 1 1 1 53925 55626 1 1 60808 61940 61673 59609 44483 1 1 40926 43339 1 1 48527 46403 46207 48240 48038 54393 55028 1 1 48323 50459 46227 48199 50426 1 53498 52738 46165 44003 51688 1 47324 46687 1 1 1 1 41383 1 1 54494 1 1 1 35525 1 1 1 1 47007 39920 48057 1 1 1 1 42046 42738 41925 44769 43731 42755 45058 39963 40733 1 36948 43607 43546 41260 29323 1 39636 36902 1 36774 38691 43577 43335 1 1 58635 53784 1 1 40075 40007 43366 43857 45137 46763 41374 1 50568 1 41420 42352 47057 58795 50991 51355 50836 50939 53212 53414 1 18990 49441 72950 54303 62571 48077 49683 45082 49100 1 32434 578.1445@3.913 1 1 1 1 1 5992 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 326.0429@4.2004204 1 1 1 8777 9949 8568 1 1 8274 1 1 1 1 6581 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4856 5433 1 1 1 5485 5343 4791 1 1 4477 1 1 1 1 1 1 5549 5231 1 1 6605 1 1 6087 5083 1 5264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5101 3918 1 1 12474 1 5747 6026 1 1 1 1 1 6442 7035 1 7261 1 6153 6882 1 6547 1 1 1 5037 6647 1 1 1 1 1 1 1 1 1 1 1 1 1 4167 1 1 1 1 5957 1 1 1 1 1 1 1 1 1 1 5792 1 1 1 7745 1 7650 7798 5818 1 1 6149 1 1 297.2677@4.227 1 1 1 1 1 4765 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.2985@4.243 1 1 1 1 1 5047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3978 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 159.1754@6.952 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 192.1157@1.201 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 313.0855@1.705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0232@3.001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1068.7042@6.638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 915.7612@1.025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 28306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 595.4326@1.052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8626 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 234.2345@1.096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88.0528@1.223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 445.1152@1.0439999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3681 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3588 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 201.2095@4.708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1587.9889@6.686 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1588.3256@6.687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.1077@4.645 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.0632@4.735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8271 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158.0203@5.739 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14522 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.3091@0.917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 461.3221@1.123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5024 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.3115@6.614 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.019@0.748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.5963@1.042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5532 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 541.4328@4.108 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 299.1953@2.745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 758.2089@2.968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19284 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.1961@6.688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9199 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.0619@1.069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.269@1.25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 491.3202@1.088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 428.1629@1.096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 384.3715@5.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6941 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278.525@6.684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 526.4161@1.091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID LMP ID Frequency Mass Alignment Value Annotations CAS Number ChEBI ID 1247.2689@0.77395 0.77395 20 1247.2689 C8 H7 N5 S 0.77313554 126 205.0414 [ C8 H7 N5 S, mfg=86.57, overall=86.57 ] C36 H12 N3 O S4 0.77436745 49 629.9863 [ C36 H12 N3 O S4, mfg=87.93, overall=87.93 ] 835.028@0.77433336 0.77433336 18 835.028 487.9788@0.77404356 0.77404356 69 487.9788 264.0905@0.799364 0.799364 99 264.0905 133.0528@0.8002717 0.8002717 144 133.0528 Lamivudine 0.8003333 C07065 90 246.0799 Lamivudine [ C8 H11 N3 O3 S, mfg=40.40, db=55.65, overall=48.02, KEGG ID=C07065, METLIN ID=43224 ] 368.344@0.8320664 0.8320664 106 368.344 1193.81@0.9965965 0.9965965 136 1193.81 1191.7913@0.99698347 0.99698347 115 1191.7913 1209.8029@0.99901503 0.99901503 138 1209.8029 1150.3094@1.0053846 1.0053846 13 1150.3094 1145.3177@1.0047023 1.0047023 74 1145.3177 975.7453@1.0043 1.0043 10 975.7453 1071.3@1.005368 1.005368 95 1071.3 1219.3348@1.0060784 1.0060784 64 1219.3348 997.281@1.0074347 1.0074347 115 997.281 986.2342@1.0105 1.0105 12 986.2342 1076.2917@1.0064286 1.0064286 14 1076.2917 1058.2614@1.0098462 1.0098462 13 1058.2614 1132.2773@1.0078334 1.0078334 12 1132.2773 983.2492@1.0131274 1.0131274 47 983.2492 949.734@1.0078461 1.0078461 13 949.734 897.7@1.0093333 1.0093333 3 897.7 926.2602@1.0113797 1.0113797 79 926.2602 959.7546@1.0102223 1.0102223 9 959.7546 923.2618@1.0104219 1.0104219 126 923.2618 1055.2743@1.0161111 1.0161111 18 1055.2743 933.6331@1.0112876 1.0112876 143 933.6331 910.2261@1.0123999 1.0123999 30 910.2261 847.2746@1.0130833 1.0130833 12 847.2746 889.7186@1.0167189 1.0167189 32 889.7186 875.72@1.01425 1.01425 8 875.72 771.2666@1.0132021 1.0132021 134 771.2666 697.2479@1.0126888 1.0126888 141 697.2479 933.7373@1.0143999 1.0143999 65 933.7373 C40 H55 1.0102062 141 535.4309 [ C40 H55, mfg=92.66, overall=92.66 ] 902.7354@1.0552857 1.0552857 7 902.7354 1129.289@1.0137273 1.0137273 22 1129.289 903.7493@1.0153704 1.0153704 27 903.7493 705.5314@1.0158888 1.0158888 9 705.5314 849.2436@1.0143359 1.0143359 137 849.2436 907.7361@1.0202729 1.0202729 33 907.7361 837.2067@1.0154629 1.0154629 54 837.2067 819.1637@1.0158334 1.0158334 12 819.1637 1293.357@1.0123383 1.0123383 68 1293.357 834.2308@1.0160421 1.0160421 117 834.2308 539.4615@1.0123777 1.0123777 130 539.4615 852.2422@1.0153086 1.0153086 110 852.2422 905.2521@1.0190293 1.0190293 134 905.2521 623.2289@1.014353 1.014353 136 623.2289 915.7311@1.0185229 1.0185229 88 915.7311 837.6842@1.0180001 1.0180001 14 837.6842 760.2129@1.0167863 1.0167863 136 760.2129 929.7631@1.0130832 1.0130832 36 929.7631 764.1899@1.016 1.016 1 764.1899 757.2147@1.0168465 1.0168465 137 757.2147 831.233@1.0172387 1.0172387 138 831.233 681.533@1.0174662 1.0174662 90 681.533 936.7569@1.0178001 1.0178001 10 936.7569 683.1962@1.0180502 1.0180502 138 683.1962 600.5128@1.0186335 1.0186335 60 600.5128 627.5423@1.0208075 1.0208075 52 627.5423 939.7311@1.0136998 1.0136998 30 939.7311 707.6022@1.019 1.019 7 707.6022 775.2256@1.0188314 1.0188314 143 775.2256 543.4513@1.0204256 1.0204256 47 543.4513 603.5365@1.0229999 1.0229999 6 603.5365 783.6503@1.018 1.018 3 783.6503 778.224@1.0199049 1.0199049 127 778.224 687.5781@1.02605 1.02605 20 687.5781 965.7473@1.0130371 1.0130371 27 965.7473 638.491@1.0285484 1.0285484 31 638.491 686.1943@1.0186818 1.0186818 126 686.1943 1369.3687@1.01875 1.01875 8 1369.3687 733.6288@1.022375 1.022375 8 733.6288 759.6336@1.0196 1.0196 5 759.6336 643.5255@1.0338889 1.0338889 9 643.5255 664.5821@1.01975 1.01975 4 664.5821 576.5102@1.021737 1.021737 19 576.5102 617.5095@1.022 1.022 3 617.5095 C43 H63 N5 O3 1.0223119 138 697.4924 [ C43 H63 N5 O3, mfg=92.24, overall=92.24 ] 689.1734@1.0212445 1.0212445 45 689.1734 993.7756@1.0192727 1.0192727 11 993.7756 574.495@1.0218822 1.0218822 17 574.495 612.4764@1.0223333 1.0223333 6 612.4764 811.6558@1.0245321 1.0245321 47 811.6558 883.727@1.0225871 1.0225871 46 883.727 979.2701@1.0252085 1.0252085 101 979.2701 661.5672@1.0205001 1.0205001 64 661.5672 655.5723@1.0193075 1.0193075 133 655.5723 662.4473@1.0224625 1.0224625 143 662.4473 515.419@1.025 1.025 95 515.419 745.6015@1.022 1.022 9 745.6015 618.5229@1.0215789 1.0215789 19 618.5229 C37 H40 N4 O5 1.0256506 140 620.3032 [ C37 H40 N4 O5, mfg=97.39, overall=97.39 ] 694.5665@1.0313847 1.0313847 13 694.5665 TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6] 1.0234689 111 865.7157 TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6] [ C55 H92 O6, db=39.25, overall=39.25, HMP ID=HMDB10517, METLIN ID=61804 ] 839.698@1.0237497 1.0237497 92 839.698 703.5794@1.02375 1.02375 12 703.5794 609.1771@1.0216799 1.0216799 100 609.1771 891.7317@1.0233135 1.0233135 115 891.7317 646.454@1.024 1.024 1 646.454 621.5292@1.0252223 1.0252223 9 621.5292 701.2077@1.0240562 1.0240562 144 701.2077 567.4204@1.0258975 1.0258975 39 567.4204 917.7466@1.0248376 1.0248376 86 917.7466 599.5123@1.0630587 1.0630587 17 599.5123 679.5695@1.0209657 1.0209657 29 679.5695 551.19@1.0240651 1.0240651 93 551.19 612.1642@1.0237777 1.0237777 45 612.1642 711.49@1.0275 1.0275 6 711.49 705.2025@1.026 1.026 3 705.2025 625.5337@1.0240833 1.0240833 12 625.5337 859.7269@1.0222143 1.0222143 14 859.7269 651.5416@1.0245714 1.0245714 7 651.5416 594.521@1.026 1.026 1 594.521 695.5809@1.0276666 1.0276666 18 695.5809 581.5013@1.0604358 1.0604358 39 581.5013 583.5192@1.0260799 1.0260799 25 583.5192 888.7583@1.0340587 1.0340587 17 888.7583 TG(8:0/8:0/8:0) 1.0270381 C13044 79 487.3877 TG(8:0/8:0/8:0) [ C27 H50 O6, mfg=46.09, db=52.94, overall=49.52, KEGG ID=C13044, HMP ID=HMDB11187, METLIN ID=62029 ] 945.7747@1.0386363 1.0386363 11 945.7747 721.6011@1.0293913 1.0293913 23 721.6011 652.1182@1.0344357 1.0344357 39 652.1182 446.3408@1.0339726 1.0339726 74 446.3408 627.1883@1.0301608 1.0301608 143 627.1883 670.5681@1.0323699 1.0323699 108 670.5681 630.1865@1.0306827 1.0306827 101 630.1865 644.5528@1.0309001 1.0309001 10 644.5528 C27 H44 1.0338901 82 368.3444 [ C27 H44, mfg=75.69, overall=75.69 ] 538.1399@1.030125 1.030125 8 538.1399 C27 H42 1.0290831 108 366.3286 [ C27 H42, mfg=81.32, overall=81.32 ] 697.6008@1.0292964 1.0292964 27 697.6008 789.6826@1.030573 1.030573 82 789.6826 477.1705@1.0306997 1.0306997 50 477.1705 592.1502@1.0277346 1.0277346 49 592.1502 737.6511@1.0320909 1.0320909 11 737.6511 370.3089@1.0327315 1.0327315 142 370.3089 520.1141@1.0337826 1.0337826 23 520.1141 763.6659@1.0282855 1.0282855 42 763.6659 815.6992@1.0322062 1.0322062 121 815.6992 641.5924@1.0312648 1.0312648 34 641.5924 841.7148@1.0346664 1.0346664 117 841.7148 354.3138@1.0432539 1.0432539 67 354.3138 518.1315@1.0398765 1.0398765 89 518.1315 354.0628@1.0386211 1.0386211 87 354.0628 681.3564@1.0381793 1.0381793 140 681.3564 536.1433@1.0374722 1.0374722 55 536.1433 636.2997@1.0375632 1.0375632 144 636.2997 867.7312@1.0350232 1.0350232 133 867.7312 585.431@1.049625 1.049625 24 585.431 556.1674@1.0379039 1.0379039 93 556.1674 390.2778@1.038431 1.038431 144 390.2778 370.0943@1.0392034 1.0392034 143 370.0943 C27 H47 N3 O 1.0353643 140 429.3721 [ C27 H47 N3 O, mfg=95.96, overall=95.96 ] 578.0991@1.0409673 1.0409673 62 578.0991 321.0709@1.0443335 1.0443335 24 321.0709 694.3515@1.0386786 1.0386786 143 694.3515 56.0624@1.0458999 1.0458999 40 56.0624 829.7126@1.0447778 1.0447778 9 829.7126 889.7709@1.0360304 1.0360304 33 889.7709 280.0444@1.04562 1.04562 79 280.0444 530.2674@1.0426668 1.0426668 144 530.2674 539.3461@1.045 1.045 54 539.3461 855.7292@1.0427014 1.0427014 67 855.7292 222.0569@1.0447637 1.0447637 144 222.0569 803.6979@1.0426 1.0426 5 803.6979 C27 H59 N5 O2 S2 1.0452745 120 549.4098 [ C27 H59 N5 O2 S2, mfg=47.57, overall=47.57 ] 462.1238@1.0452701 1.0452701 144 462.1238 913.7708@1.0398847 1.0398847 52 913.7708 879.7115@1.0503811 1.0503811 42 879.7115 971.7901@1.0428095 1.0428095 21 971.7901 296.0755@1.048877 1.048877 114 296.0755 402.226@1.0479368 1.0479368 63 402.226 C35 H57 N3 S 1.044516 126 551.4255 [ C35 H57 N3 S, mfg=86.66, overall=86.66 ] 312.2661@1.0610179 1.0610179 116 312.2661 713.6082@1.0501046 1.0501046 96 713.6082 666.524@1.0494187 1.0494187 43 666.524 388.105@1.05281 1.05281 131 388.105 326.2821@1.096243 1.096243 74 326.2821 TG(16:1(9Z)/14:0/16:1(9Z))[iso3] 1.0531154 122 791.6999 TG(16:1(9Z)/14:0/16:1(9Z))[iso3] [ C49 H90 O6, db=59.38, overall=59.38, HMP ID=HMDB10419, METLIN ID=61725 ] 745.4974@1.0512222 1.0512222 18 745.4974 C38 H66 Cl N7 O 1.0523818 76 671.4988 [ C38 H66 Cl N7 O, mfg=73.02, overall=73.02 ] TG(16:1(9Z)/14:0/18:2(9Z,12Z))[iso6] 1.0529236 143 817.7156 TG(16:1(9Z)/14:0/18:2(9Z,12Z))[iso6] [ C51 H92 O6, db=44.20, overall=44.20, HMP ID=HMDB10422, METLIN ID=61728 ] 765.6818@1.0516889 1.0516889 45 765.6818 577.5776@1.0541251 1.0541251 16 577.5776 631.6261@1.0529474 1.0529474 38 631.6261 687.5907@1.0462272 1.0462272 66 687.5907 278.1522@1.0559163 1.0559163 144 278.1522 605.6115@1.0543784 1.0543784 37 605.6115 TG(18:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso6] 1.0547625 143 869.7466 TG(18:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C55 H96 O6, db=29.90, overall=29.90, HMP ID=HMDB10450, METLIN ID=61756 ] 204.0794@1.0569298 1.0569298 115 204.0794 619.6258@1.056625 1.056625 8 619.6258 919.7616@1.0455859 1.0455859 128 919.7616 444.3609@1.0559492 1.0559492 59 444.3609 532.1859@1.0582169 1.0582169 138 532.1859 634.6449@1.0585 1.0585 2 634.6449 553.3642@1.06125 1.06125 20 553.3642 805.7136@1.062 1.062 20 805.7136 893.7469@1.0379127 1.0379127 125 893.7469 1127.3053@1.0615975 1.0615975 102 1127.3053 945.7763@1.0479151 1.0479151 106 945.7763 907.7579@1.0399287 1.0399287 42 907.7579 831.7308@1.0629883 1.0629883 86 831.7308 582.4102@1.0669999 1.0669999 3 582.4102 497.4103@1.0709355 1.0709355 62 497.4103 415.3583@1.0526853 1.0526853 54 415.3583 476.1225@1.0656521 1.0656521 23 476.1225 631.1482@1.0660753 1.0660753 94 631.1482 857.7461@1.0624295 1.0624295 121 857.7461 883.7594@1.060563 1.060563 103 883.7594 162.0684@1.0641305 1.0641305 69 162.0684 TG(16:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6] 1.0540445 136 843.7313 TG(16:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6] [ C53 H94 O6, db=35.71, overall=35.71, HMP ID=HMDB10424, METLIN ID=61730 ] 284.2141@1.0640999 1.0640999 20 284.2141 449.2964@1.065 1.065 1 449.2964 304.2374@1.0699166 1.0699166 12 304.2374 361.2474@1.0682116 1.0682116 71 361.2474 393.3407@1.067 1.067 1 393.3407 365.3662@1.0724255 1.0724255 108 365.3662 258.1988@1.0729387 1.0729387 49 258.1988 C17 H35 N4 O4 1.0722371 59 359.2668 [ C17 H35 N4 O4, mfg=47.54, overall=47.54 ] 596.4414@1.079774 1.079774 31 596.4414 Neomenthyl acetate 1.0742779 C16825 144 198.1626 Neomenthyl acetate [ C12 H22 O2, mfg=97.46, db=97.45, overall=97.45, KEGG ID=C16825, METLIN ID=71370 ] TG(16:0/14:0/16:1(9Z))[iso6] 1.0738329 90 793.7156 TG(16:0/14:0/16:1(9Z))[iso6] [ C49 H92 O6, db=73.32, overall=73.32, HMP ID=HMDB10412, METLIN ID=61720 ] C25 H53 N2 O2 S 1.0726216 82 445.3856 [ C25 H53 N2 O2 S, mfg=69.51, overall=69.51 ] C10 H18 N3 1.07463 138 180.1517 [ C10 H18 N3, mfg=57.85, overall=28.93 ] 438.3693@1.0757693 1.0757693 39 438.3693 922.7812@1.067125 1.067125 8 922.7812 819.7311@1.0756844 1.0756844 130 819.7311 331.1422@1.0752223 1.0752223 9 331.1422 C12 H18 1.0765089 106 162.141 [ C12 H18, mfg=84.90, overall=84.90 ] 337.3345@1.0781621 1.0781621 130 337.3345 300.1578@1.0764887 1.0764887 86 300.1578 566.4107@1.0780001 1.0780001 2 566.4107 455.3622@1.0845207 1.0845207 96 455.3622 871.7626@1.0770742 1.0770742 134 871.7626 254.2245@1.0754796 1.0754796 100 254.2245 525.4428@1.0827246 1.0827246 98 525.4428 373.2521@1.06325 1.06325 12 373.2521 634.4665@1.1030713 1.1030713 28 634.4665 452.3528@1.0874358 1.0874358 78 452.3528 432.3592@1.0860771 1.0860771 65 432.3592 269.2723@1.0811815 1.0811815 127 269.2723 403.2949@1.0867941 1.0867941 34 403.2949 375.168@1.0880703 1.0880703 57 375.168 3,7-Dimethyl-2E,6-octadienyl acetate 1.0896058 C09861 LMFA05000237 109 196.1467 3,7-Dimethyl-2E,6-octadienyl acetate [ C12 H20 O2, mfg=76.15, db=52.13, overall=64.14, Lipid ID=LMFA05000237, KEGG ID=C09861, METLIN ID=46188 ] 663.58@1.04025 1.04025 16 663.58 C25 H50 N3 O2 1.0812428 132 424.3915 [ C25 H50 N3 O2, mfg=47.58, overall=47.58 ] 586.4574@1.0809165 1.0809165 12 586.4574 580.2326@1.0936763 1.0936763 142 580.2326 550.4585@1.0829841 1.0829841 122 550.4585 437.354@1.0780001 1.0780001 2 437.354 395.2897@1.0894 1.0894 10 395.2897 C25 H48 N3 O 1.082458 131 406.3808 [ C25 H48 N3 O, mfg=79.96, overall=79.96 ] CE(20:4) 1.0774637 LMST01020014 138 689.61 CE(20:4) [ C47 H76 O2, mfg=46.37, db=85.58, overall=65.97, CAS ID=604-34-2, Lipid ID=LMST01020014, HMP ID=HMDB06726, METLIN ID=41709 ] 604-34-2 C26 H54 N2 O S 1.082235 98 442.4021 [ C26 H54 N2 O S, mfg=52.02, overall=26.01 ] 298.1323@1.082669 1.082669 142 298.1323 847.7614@1.0983808 1.0983808 21 847.7614 Bilirubin 1.0834376 C00486 144 584.2641 Bilirubin [ C33 H36 N4 O6, mfg=97.45, db=97.44, overall=97.45, CAS ID=635-65-4, KEGG ID=C00486, HMP ID=HMDB00054, METLIN ID=81 ] 635-65-4 6-endo-Hydroxycineole 1.0867714 C03092 114 170.1309 6-endo-Hydroxycineole [ C10 H18 O2, mfg=60.03, db=60.02, overall=60.02, KEGG ID=C03092, METLIN ID=41081 ] 224.178@1.0921065 1.0921065 103 224.178 532.4482@1.0853479 1.0853479 69 532.4482 268.2196@1.08434 1.08434 50 268.2196 512.4102@1.1066072 1.1066072 28 512.4102 602.4819@1.0884761 1.0884761 21 602.4819 390.3485@1.0862622 1.0862622 61 390.3485 368.3444@1.0857626 1.0857626 135 368.3444 715.5236@1.0864211 1.0864211 38 715.5236 859.7608@1.0881582 1.0881582 126 859.7608 476.3837@1.0944573 1.0944573 105 476.3837 487.3895@1.090774 1.090774 31 487.3895 544.4844@1.0900326 1.0900326 120 544.4844 278.2253@1.0917361 1.0917361 144 278.2253 578.49@1.0918888 1.0918888 45 578.49 5alpha-Cholestan-5alpha,6beta-diol 1.08856 C05424 132 404.3653 5alpha-Cholestan-5alpha,6beta-diol [ C27 H48 O2, db=67.33, overall=33.67, KEGG ID=C05424, METLIN ID=66319 ] 558.466@1.0896835 1.0896835 133 558.466 420.3576@1.0815231 1.0815231 88 420.3576 833.7461@1.0875915 1.0875915 71 833.7461 522.4278@1.08746 1.08746 139 522.4278 218.1891@1.0899007 1.0899007 122 218.1891 4-Dodecylphenol 1.0907882 C14245 142 262.2302 4-Dodecylphenol [ C18 H30 O, mfg=83.15, db=83.14, overall=83.14, CAS ID=104-43-8, KEGG ID=C14245, METLIN ID=69906 ] 104-43-8 C45 H79 N O2 1.0905869 143 665.6114 [ C45 H79 N O2, mfg=93.10, overall=93.10 ] 761.4928@1.0901401 1.0901401 50 761.4928 797.704@1.0908 1.0908 5 797.704 885.7761@1.0872912 1.0872912 103 885.7761 434.3411@1.0895044 1.0895044 107 434.3411 494.3973@1.0902389 1.0902389 142 494.3973 496.4146@1.0867349 1.0867349 49 496.4146 446.3404@1.1013703 1.1013703 108 446.3404 572.4454@1.092184 1.092184 87 572.4454 520.4128@1.0889845 1.0889845 137 520.4128 548.4433@1.0913142 1.0913142 108 548.4433 Linoleic acid 1.0910966 C01595 LMFA01030120 144 280.2408 Linoleic acid [ C18 H32 O2, mfg=95.42, db=95.41, overall=95.42, CAS ID=60-33-3, Lipid ID=LMFA01030120, KEGG ID=C01595, HMP ID=HMDB00673, METLIN ID=191 ] 60-33-3 377.2058@1.0936228 1.0936228 90 377.2058 303.169@1.0907272 1.0907272 44 303.169 cis-9,10-Epoxystearic acid 1.0915625 C19418 144 298.2513 cis-9,10-Epoxystearic acid [ C18 H34 O3, mfg=99.55, db=99.55, overall=99.55, CAS ID=2443-39-2, KEGG ID=C19418, METLIN ID=73121 ] 2443-39-2 110.1093@1.0918837 1.0918837 43 110.1093 619.4876@1.0914105 1.0914105 56 619.4876 562.4928@1.0897692 1.0897692 13 562.4928 C17 H32 O 1.0917441 117 252.2453 [ C17 H32 O, mfg=81.01, overall=81.01 ] 474.3712@1.1016365 1.1016365 33 474.3712 470.3866@1.0914444 1.0914444 18 470.3866 774.6313@1.093857 1.093857 7 774.6313 386.3386@1.0895323 1.0895323 62 386.3386 950.8075@1.0952858 1.0952858 7 950.8075 769.6761@1.0934829 1.0934829 139 769.6761 616.4684@1.1004001 1.1004001 20 616.4684 9,10-dihydroxy stearic acid 1.0943334 C19622 LMFA01050090 144 316.2619 9,10-dihydroxy stearic acid [ C18 H36 O4, mfg=95.76, db=95.76, overall=95.76, Lipid ID=LMFA01050090, KEGG ID=C19622, METLIN ID=35467 ] 528.4296@1.1001111 1.1001111 9 528.4296 222.1625@1.1022128 1.1022128 127 222.1625 594.4867@1.1006354 1.1006354 115 594.4867 C40 H67 O S 1.0957968 54 595.4908 [ C40 H67 O S, mfg=67.42, overall=67.42 ] 345.2881@1.0948594 1.0948594 71 345.2881 250.1938@1.1023803 1.1023803 142 250.1938 687.4935@1.0954967 1.0954967 131 687.4935 C30 H59 N6 S2 1.0999486 136 567.4209 [ C30 H59 N6 S2, mfg=70.28, overall=70.28 ] 296.2359@1.0958408 1.0958408 144 296.2359 492.3818@1.1005213 1.1005213 140 492.3818 266.2597@1.104482 1.104482 85 266.2597 899.7925@1.1098512 1.1098512 74 899.7925 466.3663@1.1007166 1.1007166 141 466.3663 340.298@1.1041038 1.1041038 144 340.298 MG(18:0/0:0/0:0) 1.1043468 144 358.3086 MG(18:0/0:0/0:0) [ C21 H42 O4, mfg=98.14, db=98.14, overall=98.14, HMP ID=HMDB11131, METLIN ID=61993 ] 607.4804@1.0955122 1.0955122 41 607.4804 822.7492@1.1037309 1.1037309 26 822.7492 569.358@1.101597 1.101597 67 569.358 614.5287@1.1051601 1.1051601 50 614.5287 494.2586@1.1048822 1.1048822 17 494.2586 513.2534@1.1030891 1.1030891 45 513.2534 873.7777@1.1051943 1.1051943 108 873.7777 499.2385@1.1042683 1.1042683 93 499.2385 590.4551@1.1018205 1.1018205 106 590.4551 706.5925@1.1039916 1.1039916 133 706.5925 294.2193@1.1016419 1.1016419 137 294.2193 845.6044@1.1046036 1.1046036 144 845.6044 DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) 1.1049719 144 741.6307 DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) [ C47 H80 O5, db=76.08, overall=38.04, HMP ID=HMDB07697, METLIN ID=59163 ] 414.2051@1.1041028 1.1041028 135 414.2051 762.5596@1.1057392 1.1057392 23 762.5596 DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) + 1.1061205 1.1061205 125 724.6033 DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) [ C47 H80 O5, mfg=85.45, db=85.12, overall=85.28, HMP ID=HMDB07697, METLIN ID=59163 ] 555.3423@1.1048 1.1048 5 555.3423 979.8207@1.1040477 1.1040477 21 979.8207 468.382@1.1087605 1.1087605 142 468.382 1107.9229@1.1062244 1.1062244 125 1107.9229 782.6557@1.107945 1.107945 144 782.6557 C17 H39 Cl2 N11 O3 S3 1.1036284 78 611.1816 [ C17 H39 Cl2 N11 O3 S3, mfg=63.42, overall=63.42 ] 440.3514@1.1015347 1.1015347 101 440.3514 342.2192@1.1435001 1.1435001 2 342.2192 975.7921@1.1064721 1.1064721 36 975.7921 266.1654@1.1112814 1.1112814 142 266.1654 901.8041@1.1193125 1.1193125 16 901.8041 645.4225@1.1106666 1.1106666 27 645.4225 847.7616@1.1158527 1.1158527 102 847.7616 255.2566@1.1127678 1.1127678 56 255.2566 887.7897@1.1284348 1.1284348 23 887.7897 645.6062@1.1150883 1.1150883 79 645.6062 562.422@1.1167777 1.1167777 45 562.422 421.3103@1.1134117 1.1134117 114 421.3103 713.599@1.1149571 1.1149571 141 713.599 322.2157@1.1183845 1.1183845 39 322.2157 452.353@1.1051875 1.1051875 16 452.353 382.3078@1.1136781 1.1136781 59 382.3078 696.5714@1.1164223 1.1164223 45 696.5714 308.2016@1.1059524 1.1059524 21 308.2016 330.2771@1.1176974 1.1176974 139 330.2771 614.4524@1.1120849 1.1120849 59 614.4524 302.2822@1.1165977 1.1165977 87 302.2822 490.3656@1.1154245 1.1154245 113 490.3656 797.5262@1.1185528 1.1185528 38 797.5262 366.2052@1.1174409 1.1174409 34 366.2052 C20 H41 N O 1.1230118 87 311.3189 [ C20 H41 N O, mfg=75.13, overall=75.13 ] 314.1271@1.1276944 1.1276944 36 314.1271 333.1796@1.1184336 1.1184336 83 333.1796 619.5906@1.1194342 1.1194342 76 619.5906 685.567@1.120827 1.120827 144 685.567 629.61@1.1225716 1.1225716 35 629.61 653.5401@1.1194484 1.1194484 116 653.5401 287.2467@1.1202855 1.1202855 63 287.2467 584.4187@1.1197408 1.1197408 27 584.4187 C34 H63 Cl N2 O2 1.1219072 97 566.454 [ C34 H63 Cl N2 O2, mfg=65.47, overall=65.47 ] 289.2664@1.12095 1.12095 20 289.2664 633.6063@1.1200001 1.1200001 43 633.6063 464.351@1.1150954 1.1150954 136 464.351 565.5417@1.1035999 1.1035999 5 565.5417 305.2932@1.1205868 1.1205868 99 305.2932 329.2574@1.1215 1.1215 4 329.2574 553.4343@1.1072245 1.1072245 49 553.4343 875.7927@1.1462324 1.1462324 43 875.7927 488.3506@1.1175348 1.1175348 86 488.3506 256.0506@1.1227028 1.1227028 131 256.0506 648.6271@1.1238887 1.1238887 18 648.6271 583.4803@1.1365554 1.1365554 45 583.4803 398.2438@1.1245401 1.1245401 126 398.2438 535.4951@1.1239772 1.1239772 44 535.4951 625.4968@1.1149261 1.1149261 108 625.4968 436.3214@1.1294018 1.1294018 102 436.3214 607.4779@1.125 1.125 1 607.4779 462.3361@1.1251132 1.1251132 106 462.3361 502.4019@1.113812 1.113812 112 502.4019 878.7328@1.1197367 1.1197367 19 878.7328 661.637@1.1243999 1.1243999 10 661.637 242.1896@1.1374199 1.1374199 50 242.1896 537.5123@1.1273788 1.1273788 87 537.5123 274.2512@1.1281039 1.1281039 144 274.2512 372.2881@1.128583 1.128583 144 372.2881 262.23@1.222293 1.222293 58 262.23 354.2774@1.1284789 1.1284789 144 354.2774 292.2038@1.1031429 1.1031429 56 292.2038 246.148@1.1441804 1.1441804 111 246.148 283.2878@1.1316236 1.1316236 109 283.2878 365.366@1.1297885 1.1297885 52 365.366 494.3973@1.1284542 1.1284542 66 494.3973 427.3294@1.13825 1.13825 4 427.3294 238.1217@1.133113 1.133113 142 238.1217 514.4265@1.1308933 1.1308933 103 514.4265 162.0683@1.1332434 1.1332434 140 162.0683 252.2094@1.1259906 1.1259906 106 252.2094 510.3939@1.1344224 1.1344224 109 510.3939 508.3795@1.1487741 1.1487741 84 508.3795 534.3931@1.1354253 1.1354253 120 534.3931 516.3818@1.1184645 1.1184645 56 516.3818 520.413@1.1349102 1.1349102 144 520.413 350.2815@1.1191428 1.1191428 7 350.2815 560.4056@1.1345141 1.1345141 35 560.4056 180.1519@1.1385362 1.1385362 69 180.1519 337.3348@1.1369658 1.1369658 144 337.3348 311.1527@1.1342807 1.1342807 132 311.1527 471.3586@1.1299304 1.1299304 43 471.3586 243.1842@1.1369798 1.1369798 144 243.1842 424.3547@1.1342379 1.1342379 84 424.3547 240.1733@1.1444997 1.1444997 110 240.1733 227.1892@1.1385217 1.1385217 144 227.1892 225.1737@1.1396409 1.1396409 92 225.1737 285.137@1.1393334 1.1393334 45 285.137 669.5347@1.1401843 1.1401843 38 669.5347 152.1202@1.122339 1.122339 118 152.1202 246.22@1.1407502 1.1407502 144 246.22 697.567@1.13094 1.13094 50 697.567 395.3251@1.2765833 1.2765833 12 395.3251 218.1888@1.1437081 1.1437081 144 218.1888 208.1831@1.1339333 1.1339333 120 208.1831 363.3352@1.1453388 1.1453388 62 363.3352 214.1575@1.1430818 1.1430818 98 214.1575 92.0624@1.1470001 1.1470001 14 92.0624 227.2241@1.1583413 1.1583413 41 227.2241 122.1095@1.1073205 1.1073205 78 122.1095 148.1251@1.1461986 1.1461986 106 148.1251 331.2729@1.1464685 1.1464685 143 331.2729 190.1726@1.1455954 1.1455954 141 190.1726 134.1095@1.1452572 1.1452572 132 134.1095 309.3034@1.1460755 1.1460755 133 309.3034 296.2359@1.1464192 1.1464192 117 296.2359 120.0936@1.1467271 1.1467271 44 120.0936 108.0936@1.193153 1.193153 98 108.0936 336.2284@1.1509179 1.1509179 61 336.2284 249.2313@1.142 1.142 5 249.2313 416.3256@1.0949999 1.0949999 4 416.3256 359.3045@1.1516875 1.1516875 83 359.3045 396.1944@1.1494383 1.1494383 137 396.1944 280.1317@1.1516668 1.1516668 144 280.1317 472.258@1.1511528 1.1511528 144 472.258 118.078@1.1494347 1.1494347 138 118.078 414.2049@1.1523821 1.1523821 144 414.2049 134.073@1.1526648 1.1526648 140 134.073 349.3197@1.1529033 1.1529033 144 349.3197 439.2048@1.1538334 1.1538334 138 439.2048 603.3627@1.1512469 1.1512469 73 603.3627 17-phenyl trinor Prostaglandin E2 serinol amide 1.1546391 144 459.2627 17-phenyl trinor Prostaglandin E2 serinol amide [ C26 H37 N O6, mfg=98.58, db=98.58, overall=98.58, METLIN ID=44884 ] 440.2018@1.1539305 1.1539305 144 440.2018 534.2477@1.1569927 1.1569927 144 534.2477 281.2722@1.1574497 1.1574497 140 281.2722 318.2776@1.1631972 1.1631972 117 318.2776 353.3294@1.1610092 1.1610092 111 353.3294 351.3143@1.1667664 1.1667664 107 351.3143 627.1771@1.1639931 1.1639931 144 627.1771 386.1862@1.1666113 1.1666113 144 386.1862 157.1467@1.1694798 1.1694798 77 157.1467 255.2566@1.1688086 1.1688086 141 255.2566 304.2609@1.1708163 1.1708163 93 304.2609 187.1212@1.1717266 1.1717266 110 187.1212 154.0996@1.1494374 1.1494374 80 154.0996 880.7473@1.1838462 1.1838462 13 880.7473 861.7754@1.133074 1.133074 27 861.7754 152.0841@1.1757332 1.1757332 60 152.0841 (S)-Coclaurine 1.1710565 C06161 141 285.1372 (S)-Coclaurine [ C17 H19 N O3, mfg=97.12, db=97.11, overall=97.11, CAS ID=486-39-5, KEGG ID=C06161, METLIN ID=64367 ] 486-39-5 252.2093@1.169125 1.169125 8 252.2093 210.0903@1.1749147 1.1749147 117 210.0903 275.2102@1.1740929 1.1740929 43 275.2102 277.2403@1.188 1.188 4 277.2403 210.1623@1.1768609 1.1768609 122 210.1623 258.1837@1.1668867 1.1668867 88 258.1837 148.0524@1.1685466 1.1685466 108 148.0524 290.2462@1.1790093 1.1790093 113 290.2462 263.1738@1.1799332 1.1799332 90 263.1738 198.1633@1.195294 1.195294 17 198.1633 901.8081@1.1821228 1.1821228 106 901.8081 227.225@1.1811429 1.1811429 42 227.225 419.3069@1.1794801 1.1794801 25 419.3069 150.0894@1.1777475 1.1777475 83 150.0894 375.2991@1.1829681 1.1829681 126 375.2991 399.299@1.180873 1.180873 71 399.299 340.2617@1.1758217 1.1758217 73 340.2617 358.2718@1.1817058 1.1817058 17 358.2718 314.127@1.1958165 1.1958165 60 314.127 234.1479@1.1913875 1.1913875 142 234.1479 849.7769@1.188598 1.188598 102 849.7769 875.7931@1.2009588 1.2009588 120 875.7931 241.2405@1.1921667 1.1921667 6 241.2405 292.19@1.1953146 1.1953146 124 292.19 407.3603@1.1984911 1.1984911 55 407.3603 9S,12S,13S-trihydroxy-10E-octadecenoic acid 1.2029244 C14833 79 330.2417 9S,12S,13S-trihydroxy-10E-octadecenoic acid [ C18 H34 O5, mfg=42.37, db=26.51, overall=34.44, KEGG ID=C14833, METLIN ID=36021 ] 279.2564@1.2000638 1.2000638 93 279.2564 297.2671@1.1822577 1.1822577 144 297.2671 393.3451@1.2040684 1.2040684 118 393.3451 7?-Hydroxy-3-oxo-4-cholestenoate 1.203934 C17337 135 430.3084 7?-Hydroxy-3-oxo-4-cholestenoate [ C27 H42 O4, mfg=66.64, db=66.63, overall=66.64, CAS ID=115538-85-7, KEGG ID=C17337, METLIN ID=63317 ] 115538-85-7 182.0943@1.2071747 1.2071747 86 182.0943 379.3299@1.2153336 1.2153336 27 379.3299 C18 H33 N O2 1.2146475 139 295.2516 [ C18 H33 N O2, mfg=84.27, overall=84.27 ] 255.2205@1.2135882 1.2135882 107 255.2205 171.1625@1.2135658 1.2135658 99 171.1625 901.8094@1.2129999 1.2129999 11 901.8094 269.2358@1.2207577 1.2207577 66 269.2358 325.2979@1.218209 1.218209 115 325.2979 162.1258@1.2223476 1.2223476 144 162.1258 415.2085@1.2226666 1.2226666 3 415.2085 319.2364@1.1852903 1.1852903 31 319.2364 323.282@1.2032769 1.2032769 65 323.282 419.3247@1.1213554 1.1213554 90 419.3247 414.3325@1.230654 1.230654 133 414.3325 454.3284@1.2049649 1.2049649 57 454.3284 334.2726@1.2350245 1.2350245 83 334.2726 449.3721@1.2348337 1.2348337 42 449.3721 185.1419@1.236182 1.236182 22 185.1419 267.2202@1.240196 1.240196 117 267.2202 227.1893@1.2376771 1.2376771 130 227.1893 421.3401@1.2473654 1.2473654 63 421.3401 C4 H8 N2 O4 S 1.2445941 143 180.0192 [ C4 H8 N2 O4 S, mfg=87.74, overall=87.74 ] 197.1784@1.2429781 1.2429781 135 197.1784 279.2567@1.2500956 1.2500956 94 279.2567 451.3876@1.2426724 1.2426724 58 451.3876 177.0907@1.2390834 1.2390834 12 177.0907 371.34@1.2527219 1.2527219 101 371.34 C22 H45 N8 O 1.2528201 139 437.3718 [ C22 H45 N8 O, mfg=81.14, overall=81.14 ] 213.1736@1.2554282 1.2554282 98 213.1736 72.0573@1.2372444 1.2372444 45 72.0573 C26 H49 N O S 1.2585974 139 423.3564 [ C26 H49 N O S, mfg=76.05, overall=76.05 ] 396.3028@1.2573574 1.2573574 56 396.3028 210.1262@1.2583371 1.2583371 89 210.1262 114.0685@1.2598273 1.2598273 133 114.0685 248.163@1.2607136 1.2607136 115 248.163 206.1524@1.2612569 1.2612569 144 206.1524 873.778@1.2237778 1.2237778 9 873.778 323.2323@1.2641033 1.2641033 58 323.2323 230.1533@1.2469541 1.2469541 65 230.1533 245.1631@1.2633783 1.2633783 37 245.1631 501.367@1.266768 1.266768 108 501.367 199.158@1.2670783 1.2670783 127 199.158 313.2622@1.2712208 1.2712208 127 313.2622 251.2252@1.268586 1.268586 128 251.2252 216.1557@1.2710308 1.2710308 129 216.1557 222.09@1.2680773 1.2680773 77 222.09 238.1544@1.2589788 1.2589788 47 238.1544 234.1819@1.2218335 1.2218335 24 234.1819 226.1577@1.2764106 1.2764106 78 226.1577 185.1419@1.2841175 1.2841175 34 185.1419 437.3711@1.285 1.285 2 437.3711 353.2927@1.2829666 1.2829666 30 353.2927 224.1003@1.2842499 1.2842499 8 224.1003 393.3384@1.3065556 1.3065556 9 393.3384 901.8068@1.2836875 1.2836875 16 901.8068 134.0945@1.2928069 1.2928069 129 134.0945 C17 H14 N2 S 1.3010672 105 278.0867 [ C17 H14 N2 S, mfg=87.84, overall=87.84 ] C7 H12 N3 O 1.2862028 79 154.0997 [ C7 H12 N3 O, mfg=76.52, overall=38.26 ] 126.1044@1.1670588 1.1670588 34 126.1044 Gabapentin 1.2919923 C07018 136 171.1264 Gabapentin [ C9 H17 N O2, mfg=97.49, db=97.48, overall=97.49, CAS ID=60142-96-3, KEGG ID=C07018, HMP ID=HMDB05015, METLIN ID=2989 ] 60142-96-3 555.4347@1.3148751 1.3148751 8 555.4347 287.2457@1.2732002 1.2732002 15 287.2457 876.7959@1.2006412 1.2006412 39 876.7959 470.3724@1.3297868 1.3297868 103 470.3724 243.1841@1.3345938 1.3345938 143 243.1841 225.1735@1.334969 1.334969 131 225.1735 208.0875@1.3541111 1.3541111 18 208.0875 297.2671@1.2341111 1.2341111 36 297.2671 528.2426@1.3386668 1.3386668 39 528.2426 C16 H35 N4 O2 1.3408642 81 315.2774 [ C16 H35 N4 O2, mfg=63.88, overall=63.88 ] 157.1104@1.3441191 1.3441191 42 157.1104 250.108@1.344421 1.344421 19 250.108 250.1786@1.351753 1.351753 138 250.1786 215.1889@1.3494695 1.3494695 66 215.1889 229.1684@1.3720535 1.3720535 76 229.1684 178.1207@1.3731548 1.3731548 110 178.1207 580.2323@1.2493572 1.2493572 14 580.2323 192.1367@1.3892297 1.3892297 144 192.1367 C35 H36 N4 O10 1.3911612 143 672.2433 [ C35 H36 N4 O10, mfg=99.59, overall=99.59 ] Caproic acid 1.3935409 C01585 LMFA01010006 109 58.0417 Caproic acid [ C6 H12 O2, db=44.22, overall=44.22, CAS ID=142-62-1, Lipid ID=LMFA01010006, KEGG ID=C01585, METLIN ID=111 ] 142-62-1 C29 H55 N O2 S 1.3916627 95 481.3979 [ C29 H55 N O2 S, mfg=63.45, overall=63.45 ] 308.2205@1.4001068 1.4001068 122 308.2205 436.3667@1.3865098 1.3865098 51 436.3667 134.0949@1.4081575 1.4081575 127 134.0949 Caffeine 1.4141608 C07481 106 194.081 Caffeine [ C8 H10 N4 O2, mfg=93.09, db=93.09, overall=93.09, CAS ID=58-08-2, KEGG ID=C07481, HMP ID=HMDB01847, METLIN ID=1455 ] 58-08-2 215.1528@1.4160744 1.4160744 121 215.1528 216.1728@1.4122221 1.4122221 18 216.1728 673.2469@1.4146667 1.4146667 3 673.2469 809.674@1.4329088 1.4329088 55 809.674 164.1051@1.4376987 1.4376987 136 164.1051 580.232@1.4612143 1.4612143 28 580.232 644.2487@1.4621886 1.4621886 106 644.2487 699.5623@1.4767061 1.4767061 75 699.5623 C13 H14 N2 S 1.502933 105 230.0866 [ C13 H14 N2 S, mfg=84.47, overall=84.47 ] 180.0651@1.5182405 1.5182405 54 180.0651 380.304@1.5175714 1.5175714 42 380.304 C31 H59 N O3 S 1.5181524 85 525.425 [ C31 H59 N O3 S, mfg=61.50, overall=61.50 ] 141.1154@1.5307267 1.5307267 66 141.1154 187.1214@1.5302632 1.5302632 137 187.1214 Piperidione 1.5303695 C17730 100 169.1106 Piperidione [ C9 H15 N O2, mfg=84.84, db=84.82, overall=84.83, CAS ID=77-03-2, KEGG ID=C17730, METLIN ID=71886 ] 77-03-2 2S-amino-pentanoic acid 1.5338246 C01826 142 117.0789 2S-amino-pentanoic acid [ C5 H11 N O2, mfg=99.46, db=99.46, overall=99.46, KEGG ID=C01826, METLIN ID=35949 ] 511.4088@1.5383567 1.5383567 115 511.4088 222.1475@1.5111045 1.5111045 48 222.1475 641.1455@1.5384483 1.5384483 29 641.1455 582.2472@1.5833334 1.5833334 12 582.2472 3-hydroxy-decanoic acid 1.5564001 LMFA01050153 130 188.1415 3-hydroxy-decanoic acid [ C10 H20 O3, mfg=94.65, db=94.64, overall=94.65, Lipid ID=LMFA01050153, HMP ID=HMDB02203, METLIN ID=74531 ] 208.1321@1.559051 1.559051 77 208.1321 218.0971@1.565725 1.565725 69 218.0971 140.0336@1.5678056 1.5678056 36 140.0336 183.0397@1.5720001 1.5720001 43 183.0397 C32 H38 O12 1.5604995 142 614.2373 [ C32 H38 O12, mfg=91.76, overall=45.88 ] 507.007@1.5708948 1.5708948 142 507.007 654.3121@1.5818216 1.5818216 28 654.3121 229.0454@1.5756847 1.5756847 130 229.0454 Cyperine 1.5770186 C09923 53 260.1051 Cyperine [ C15 H16 O4, mfg=86.38, db=86.38, overall=86.38, CAS ID=33716-82-4, KEGG ID=C09923, METLIN ID=68013 ] 33716-82-4 255.1501@1.5754578 1.5754578 85 255.1501 643.1512@1.5690001 1.5690001 39 643.1512 220.1127@1.5755261 1.5755261 93 220.1127 106.0629@1.5750703 1.5750703 128 106.0629 113.084@1.576438 1.576438 144 113.084 3,4,5-Trimethoxycinnamic acid 1.5729623 132 238.0848 3,4,5-Trimethoxycinnamic acid [ C12 H14 O5, mfg=97.43, db=97.43, overall=97.43, CAS ID=90-50-6, HMP ID=HMDB02511, METLIN ID=6705 ] 90-50-6 180.0652@1.5696636 1.5696636 116 180.0652 278.0779@1.5783514 1.5783514 37 278.0779 582.2477@1.6005071 1.6005071 142 582.2477 654.3093@1.5896801 1.5896801 25 654.3093 641.1463@1.5894399 1.5894399 100 641.1463 173.1054@1.6157895 1.6157895 38 173.1054 643.1502@1.6015 1.6015 8 643.1502 155.0945@1.6190302 1.6190302 33 155.0945 113.0838@1.6648846 1.6648846 26 113.0838 175.1022@1.666393 1.666393 84 175.1022 89.0838@1.6648871 1.6648871 62 89.0838 131.0946@1.6669726 1.6669726 144 131.0946 324.2414@1.6903857 1.6903857 96 324.2414 Uridine 1.69545 C00299 129 244.0706 Uridine [ C9 H12 N2 O6, mfg=68.14, db=68.00, overall=68.07, CAS ID=58-96-8, KEGG ID=C00299, HMP ID=HMDB00296, METLIN ID=90 ] 58-96-8 384.9976@1.6957251 1.6957251 40 384.9976 122.0479@1.7065315 1.7065315 139 122.0479 C14 H10 N 1.7089297 130 192.0815 [ C14 H10 N, mfg=76.68, overall=76.68 ] 309.1413@1.7087804 1.7087804 41 309.1413 C6 H14 O4 1.711223 144 150.0894 [ C6 H14 O4, mfg=98.92, overall=98.92 ] 418.0787@1.7376 1.7376 5 418.0787 88.0523@1.7190479 1.7190479 21 88.0523 143.0946@1.7680259 1.7680259 75 143.0946 157.1104@1.7690872 1.7690872 23 157.1104 383.2675@1.8028421 1.8028421 19 383.2675 205.132@1.8147501 1.8147501 4 205.132 99.0682@1.8607072 1.8607072 137 99.0682 194.1161@1.8743185 1.8743185 144 194.1161 delta-Guanidinovaleric acid 1.9758855 C13688 96 159.101 delta-Guanidinovaleric acid [ C6 H13 N3 O2, mfg=80.38, db=80.38, overall=80.38, CAS ID=462-93-1, KEGG ID=C13688, METLIN ID=69638 ] 462-93-1 C5 H6 N5 O 2.0478756 144 152.0588 [ C5 H6 N5 O, mfg=80.06, overall=40.03 ] 60.0318@2.0984373 2.0984373 144 60.0318 2-Keto-6-aminocaproic acid 2.1083198 C03239 75 145.0736 2-Keto-6-aminocaproic acid [ C6 H11 N O3, mfg=79.33, db=79.32, overall=79.32, CAS ID=, KEGG ID=C03239, HMP ID=HMDB02002, METLIN ID=6426 ] 345.2879@2.1578372 2.1578372 55 345.2879 285.0695@2.1575005 2.1575005 142 285.0695 358.3087@2.159713 2.159713 115 358.3087 247.8982@2.1500323 2.1500323 31 247.8982 379.1471@2.1592984 2.1592984 67 379.1471 6-Benzylaminopurine 2.1623447 C11263 113 225.1027 6-Benzylaminopurine [ C12 H11 N5, mfg=68.99, db=68.96, overall=68.98, CAS ID=1214-39-7, KEGG ID=C11263, METLIN ID=68947 ] 1214-39-7 2-Oxo-7-methylthioheptanoic acid 2.1631784 C17220 112 190.0658 2-Oxo-7-methylthioheptanoic acid [ C8 H14 O3 S, mfg=76.48, db=76.19, overall=76.33, CAS ID=, KEGG ID=C17220, METLIN ID=64499 ] 1121.6921@2.168 2.168 1 1121.6921 6-methyltetrahydropterin 2.1687024 141 181.0957 6-methyltetrahydropterin [ C7 H11 N5 O, mfg=74.62, db=74.61, overall=74.61, CAS ID=942-41-6, HMP ID=HMDB02249, METLIN ID=6572 ] 942-41-6 710.0629@2.2174094 2.2174094 22 710.0629 159.0897@2.201483 2.201483 29 159.0897 301.0969@2.215 2.215 1 301.0969 712.0597@2.2261996 2.2261996 20 712.0597 238.1423@2.2599785 2.2599785 142 238.1423 712.0601@2.3527553 2.3527553 49 712.0601 Uridine + 2.294484 2.294484 C00299 143 244.0702 Uridine [ C9 H12 N2 O6, mfg=95.47, db=95.45, overall=95.46, CAS ID=58-96-8, KEGG ID=C00299, HMP ID=HMDB00296, METLIN ID=90 ] 58-96-8 708.0654@2.3015456 2.3015456 33 708.0654 710.0631@2.337357 2.337357 28 710.0631 716.0536@2.3897293 2.3897293 48 716.0536 708.0656@2.4016669 2.4016669 60 708.0656 710.0627@2.4095 2.4095 22 710.0627 714.0572@2.3762038 2.3762038 59 714.0572 247.8981@2.4751916 2.4751916 47 247.8981 654.3117@2.4854777 2.4854777 44 654.3117 345.2882@2.4883282 2.4883282 64 345.2882 trans-Zeatin 2.510752 C00371 125 219.1113 trans-Zeatin [ C10 H13 N5 O, mfg=85.24, db=85.24, overall=85.24, CAS ID=1637-39-4, KEGG ID=C00371, METLIN ID=45500 ] 1637-39-4 176.0591@2.5374706 2.5374706 17 176.0591 C7 H5 N O2 2.5369701 134 135.0322 [ C7 H5 N O2, mfg=97.69, overall=97.69 ] 260.0918@2.5415926 2.5415926 27 260.0918 138.043@2.711871 2.711871 139 138.043 177.0826@2.722432 2.722432 44 177.0826 489.1141@2.7491176 2.7491176 17 489.1141 683.1229@2.749 2.749 1 683.1229 494.0693@2.7512605 2.7512605 73 494.0693 489.1141@2.7532594 2.7532594 112 489.1141 632.2479@2.7858891 2.7858891 18 632.2479 411.1368@2.762188 2.762188 48 411.1368 282.1684@2.7630813 2.7630813 136 282.1684 301.0643@2.7653399 2.7653399 50 301.0643 416.0918@2.76629 2.76629 62 416.0918 391.0978@2.7870767 2.7870767 13 391.0978 358.3086@2.7970767 2.7970767 52 358.3086 385.1399@2.8116071 2.8116071 56 385.1399 578.1447@2.8153799 2.8153799 50 578.1447 223.0871@2.8369997 2.8369997 57 223.0871 417.0311@2.87555 2.87555 40 417.0311 335.0075@2.8013709 2.8013709 35 335.0075 203.0494@2.8668826 2.8668826 34 203.0494 758.2088@2.8453667 2.8453667 90 758.2088 162.0533@2.8073876 2.8073876 49 162.0533 204.0523@2.8084283 2.8084283 7 204.0523 274.9866@2.8015292 2.8015292 51 274.9866 320.9919@2.7981763 2.7981763 51 320.9919 C17 H7 N S2 2.8261049 67 289.0019 [ C17 H7 N S2, mfg=91.90, overall=91.90 ] 136.0385@2.8045685 2.8045685 144 136.0385 504.152@2.8040748 2.8040748 144 504.152 409.0441@2.8097975 2.8097975 89 409.0441 2E-methyl-glutaconic acid 2.823763 LMFA01170079 80 144.0425 2E-methyl-glutaconic acid [ C6 H8 O4, mfg=95.54, db=95.53, overall=95.53, Lipid ID=LMFA01170079, HMP ID=HMDB02266, METLIN ID=74932 ] 382.1091@2.8282628 2.8282628 122 382.1091 336.0089@2.864125 2.864125 8 336.0089 390.0953@2.820746 2.820746 59 390.0953 570.1594@2.8740907 2.8740907 11 570.1594 197.0909@2.8211408 2.8211408 64 197.0909 188.0501@2.8872795 2.8872795 43 188.0501 411.1366@2.8686998 2.8686998 10 411.1366 19-Hydroxy-8-O-methyltetrangulol 2.846325 C12400 132 334.084 19-Hydroxy-8-O-methyltetrangulol [ C20 H14 O5, mfg=79.20, db=79.20, overall=79.20, CAS ID=, KEGG ID=C12400, METLIN ID=63758 ] 274.9864@2.8654997 2.8654997 32 274.9864 563.0634@2.8449657 2.8449657 59 563.0634 573.1895@2.8628888 2.8628888 18 573.1895 391.099@2.8525002 2.8525002 14 391.099 463.0358@2.8337333 2.8337333 15 463.0358 246.0533@2.8506668 2.8506668 30 246.0533 861.6172@2.8659043 2.8659043 52 861.6172 409.0442@2.874892 2.874892 37 409.0442 403.1507@2.8122158 2.8122158 37 403.1507 883.5982@2.8720002 2.8720002 4 883.5982 204.0524@2.899588 2.899588 17 204.0524 Galabiosylceramide (d18:1/16:0) 2.8746583 C06126 79 861.6176 Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=97.79, overall=97.79, CAS ID=77538-38-6, KEGG ID=C06126, HMP ID=HMDB04833, METLIN ID=7092 ] 77538-38-6 274.9865@2.9374838 2.9374838 62 274.9865 197.0909@2.9483898 2.9483898 77 197.0909 162.0535@2.8817928 2.8817928 29 162.0535 335.0074@2.9159334 2.9159334 60 335.0074 391.0987@2.9218376 2.9218376 37 391.0987 403.1504@2.9088297 2.9088297 41 403.1504 301.0644@2.881762 2.881762 21 301.0644 320.9917@2.8838928 2.8838928 56 320.9917 431.3022@2.9074545 2.9074545 11 431.3022 833.5868@2.930559 2.930559 120 833.5868 489.114@2.9093213 2.9093213 28 489.114 321.9931@2.8898273 2.8898273 29 321.9931 162.0534@2.9468 2.9468 25 162.0534 301.0644@2.96275 2.96275 4 301.0644 595.9777@2.9168081 2.9168081 52 595.9777 144.0424@2.9525821 2.9525821 115 144.0424 162.0533@2.9600303 2.9600303 66 162.0533 4-Hydroxy-6-methylpyran-2-one 2.930391 C02752 97 126.0319 4-Hydroxy-6-methylpyran-2-one [ C6 H6 O3, mfg=76.34, db=76.34, overall=76.34, CAS ID=675-10-5, KEGG ID=C02752, METLIN ID=44653 ] 675-10-5 316.0132@2.9211593 2.9211593 44 316.0132 C27 H18 N2 O 2.9552443 86 385.1399 [ C27 H18 N2 O, mfg=92.25, overall=46.12 ] 597.0938@2.9193032 2.9193032 99 597.0938 19-Hydroxy-8-O-methyltetrangulol + 2.978841 2.978841 C12400 113 334.0838 19-Hydroxy-8-O-methyltetrangulol [ C20 H14 O5, mfg=74.90, db=74.90, overall=74.90, CAS ID=, KEGG ID=C12400, METLIN ID=63758 ] 358.3087@2.942836 2.942836 67 358.3087 570.1587@2.9537144 2.9537144 42 570.1587 409.0443@2.9591746 2.9591746 97 409.0443 289.002@2.946493 2.946493 77 289.002 578.145@2.9338424 2.9338424 38 578.145 403.1504@2.9642384 2.9642384 84 403.1504 246.0532@2.9645324 2.9645324 47 246.0532 5-Methylthio-D-ribose 2.9897988 C03089 143 180.0462 5-Methylthio-D-ribose [ C6 H12 O4 S, mfg=85.67, db=85.66, overall=85.67, CAS ID=, KEGG ID=C03089, METLIN ID=63429 ] 390.0953@2.9663267 2.9663267 52 390.0953 411.1365@2.9830766 2.9830766 13 411.1365 228.9809@2.9307537 2.9307537 61 228.9809 320.9917@2.9697618 2.9697618 42 320.9917 163.0668@3.0189285 3.0189285 14 163.0668 301.0644@3.0002081 3.0002081 48 301.0644 416.0919@3.0084455 3.0084455 74 416.0919 C14 H10 O6 S 3.006753 89 306.0196 [ C14 H10 O6 S, mfg=93.24, overall=93.24 ] 674.1329@2.966525 2.966525 59 674.1329 489.1139@3.018316 3.018316 95 489.1139 494.0694@3.0201836 3.0201836 141 494.0694 682.119@3.0201063 3.0201063 131 682.119 295.1081@3.0404289 3.0404289 21 295.1081 182.1058@3.0404072 3.0404072 59 182.1058 3-Dimethylallyl-4-hydroxyphenylpyruvate 3.0571594 C12456 139 270.0857 3-Dimethylallyl-4-hydroxyphenylpyruvate [ C14 H16 O4, mfg=45.61, db=92.87, overall=69.24, CAS ID=, KEGG ID=C12456, METLIN ID=64597 ] C9 H16 N2 O2 3.0693245 144 184.1217 [ C9 H16 N2 O2, mfg=98.16, overall=98.16 ] 179.0589@3.0674238 3.0674238 118 179.0589 213.1474@3.0806668 3.0806668 12 213.1474 903.6861@3.1299288 3.1299288 14 903.6861 260.0915@3.211304 3.211304 23 260.0915 95.037@3.22813 3.22813 93 95.037 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide 3.2371252 C15497 127 256.1065 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide [ C11 H16 N2 O5, mfg=80.89, db=80.88, overall=80.89, KEGG ID=C15497, HMP ID=HMDB11648, METLIN ID=62397 ] C15 H29 N5 O4 3.2716806 116 343.2209 [ C15 H29 N5 O4, mfg=89.23, overall=89.23 ] 326.1944@3.2727811 3.2727811 32 326.1944 525.2577@3.3774967 3.3774967 115 525.2577 C32 H34 O5 S 3.3787973 74 530.213 [ C32 H34 O5 S, mfg=89.90, overall=89.90 ] 482.3698@3.4157333 3.4157333 15 482.3698 149.0512@3.4438593 3.4438593 136 149.0512 468.3554@3.4781766 3.4781766 17 468.3554 111.0428@3.5984552 3.5984552 99 111.0428 521.5903@3.6192698 3.6192698 144 521.5903 549.6219@3.6258829 3.6258829 144 549.6219 370.2206@3.6551998 3.6551998 15 370.2206 D-2-Amino-hexano-6-lactam 3.6794045 C05328 138 128.095 D-2-Amino-hexano-6-lactam [ C6 H12 N2 O, mfg=99.73, db=99.73, overall=99.73, KEGG ID=C05328, METLIN ID=66307 ] C5 H12 N2 3.6788557 98 100.0999 [ C5 H12 N2, mfg=87.19, overall=87.19 ] 490.3677@3.7195117 3.7195117 41 490.3677 C16 H35 N 3.750793 116 241.2774 [ C16 H35 N, mfg=82.57, overall=82.57 ] 222.0858@3.7750003 3.7750003 142 222.0858 255.2931@3.7987876 3.7987876 123 255.2931 429.3094@3.8111665 3.8111665 30 429.3094 359.3554@3.8545406 3.8545406 144 359.3554 526.3964@3.8798954 3.8798954 48 526.3964 331.324@3.89112 3.89112 144 331.324 211.1116@3.9130225 3.9130225 89 211.1116 129.0537@3.9144998 3.9144998 44 129.0537 512.3807@3.9353955 3.9353955 81 512.3807 303.293@3.9340835 3.9340835 120 303.293 447.2991@3.9564443 3.9564443 9 447.2991 185.2148@3.9770763 3.9770763 143 185.2148 C20 H41 N5 O S2 3.9930372 131 431.2737 [ C20 H41 N5 O S2, mfg=87.17, overall=43.59 ] 269.3087@4.0182424 4.0182424 132 269.3087 C26 H18 N5 O3 4.039704 98 448.1419 [ C26 H18 N5 O3, mfg=78.52, overall=78.52 ] Phytol 4.0339117 C01389 116 313.3347 Phytol [ C20 H40 O, mfg=47.26, db=83.57, overall=65.41, CAS ID=150-86-7, KEGG ID=C01389, HMP ID=HMDB02019, METLIN ID=391 ] 150-86-7 C17 H29 N O 4.0461287 86 263.2253 [ C17 H29 N O, mfg=84.85, overall=84.85 ] 341.2203@4.0604415 4.0604415 68 341.2203 Docosanoic acid 4.0602856 C08281 LMFA01010022 144 357.361 Docosanoic acid [ C22 H44 O2, mfg=47.61, db=99.34, overall=73.47, CAS ID=112-85-6, Lipid ID=LMFA01010022, KEGG ID=C08281, HMP ID=HMDB00944, METLIN ID=260 ] 112-85-6 241.2776@4.0624723 4.0624723 129 241.2776 311.3553@4.065175 4.065175 143 311.3553 548.4095@4.086776 4.086776 58 548.4095 227.2619@4.085553 4.085553 38 227.2619 548.9113@4.0764 4.0764 15 548.9113 283.3241@4.1069517 4.1069517 41 283.3241 257.2723@4.106534 4.106534 75 257.2723 213.2462@4.117694 4.117694 144 213.2462 534.3937@4.1368227 4.1368227 85 534.3937 C13 H29 N 4.1406336 109 199.2305 [ C13 H29 N, mfg=79.64, overall=79.64 ] 365.2568@4.147839 4.147839 63 365.2568 229.2411@4.177008 4.177008 125 229.2411 Creatinine 4.2006764 C00791 144 113.0589 Creatinine [ C4 H7 N3 O, mfg=99.24, db=99.24, overall=99.24, CAS ID=60-27-5, KEGG ID=C00791, HMP ID=HMDB00562, METLIN ID=8 ] 60-27-5 C6 H13 N5 O 4.2022214 144 171.1125 [ C6 H13 N5 O, mfg=97.31, overall=97.31 ] C14 H28 N O2 4.2021613 124 242.211 [ C14 H28 N O2, mfg=78.56, overall=78.56 ] 58.0528@4.2022376 4.2022376 143 58.0528 Phenanthrene-4,5-dicarboxylate 4.2016397 C18252 127 288.04 Phenanthrene-4,5-dicarboxylate [ C16 H10 O4, mfg=47.60, db=44.10, overall=45.85, CAS ID=5462-82-8, KEGG ID=C18252, METLIN ID=72096 ] 5462-82-8 321.9751@4.205 4.205 1 321.9751 397.3344@4.253 4.253 8 397.3344 570.4226@4.255135 4.255135 52 570.4226 570.9238@4.2538066 4.2538066 31 570.9238 556.4065@4.3143272 4.3143272 98 556.4065 475.2994@4.312271 4.312271 114 475.2994 345.2158@4.352158 4.352158 57 345.2158 193.1108@4.359934 4.359934 45 193.1108 287.2827@4.3786955 4.3786955 141 287.2827 570.4222@4.3772497 4.3772497 4 570.4222 C11 H12 Cl O 4.405021 93 195.0573 [ C11 H12 Cl O, mfg=46.97, overall=46.97 ] 592.9375@4.4206247 4.4206247 40 592.9375 592.4355@4.4175205 4.4175205 75 592.4355 578.42@4.4725122 4.4725122 84 578.42 927.5829@4.501 4.501 1 927.5829 614.4485@4.532909 4.532909 11 614.4485 908.538@4.5251427 4.5251427 7 908.538 C41 H70 O4 4.5285215 144 626.5275 [ C41 H70 O4, mfg=94.23, overall=94.23 ] PI(20:3(5Z,8Z,11Z)/18:1(11Z)) 4.528337 C00626 143 886.556 PI(20:3(5Z,8Z,11Z)/18:1(11Z)) [ C47 H83 O13 P, db=92.36, overall=92.36, KEGG ID=C00626, HMP ID=HMDB09881, METLIN ID=61266 ] 592.4355@4.5043 4.5043 20 592.4355 Astrasieversianin XVI 4.5277557 C08925 131 930.5198 Astrasieversianin XVI [ C47 H78 O18, db=72.52, overall=72.52, CAS ID=101843-82-7, KEGG ID=C08925, METLIN ID=67274 ] 101843-82-7 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 4.5569987 C00350 122 773.535 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) [ C45 H76 N O7 P, db=60.84, overall=60.84, KEGG ID=C00350, HMP ID=HMDB09710, METLIN ID=61098 ] 598.4957@4.5551744 4.5551744 23 598.4957 858.5243@4.5554705 4.5554705 17 858.5243 614.9502@4.572815 4.572815 27 614.9502 614.4491@4.586261 4.586261 65 614.4491 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 4.585385 C00350 130 775.5508 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) [ C45 H78 N O7 P, db=66.29, overall=66.29, KEGG ID=C00350, HMP ID=HMDB09677, METLIN ID=61066 ] PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z)) 4.5853963 C00350 144 747.5201 PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z)) [ C43 H74 N O7 P, db=34.81, overall=34.81, KEGG ID=C00350, HMP ID=HMDB09480, METLIN ID=60875 ] PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) 4.590539 C00350 78 749.5352 PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) [ C43 H76 N O7 P, db=53.36, overall=53.36, KEGG ID=C00350, HMP ID=HMDB09447, METLIN ID=60843 ] 793.4982@4.586846 4.586846 13 793.4982 751.5502@4.605583 4.605583 12 751.5502 600.5101@4.605222 4.605222 9 600.5101 767.4859@4.6149163 4.6149163 12 767.4859 C38 H71 N6 O5 S 4.616236 136 723.5197 [ C38 H71 N6 O5 S, mfg=90.30, overall=45.15 ] C24 H49 N5 O3 S2 4.613343 102 519.3257 [ C24 H49 N5 O3 S2, mfg=77.42, overall=77.42 ] 600.4328@4.6175485 4.6175485 73 600.4328 389.2422@4.6252093 4.6252093 67 389.2422 862.5561@4.623509 4.623509 51 862.5561 602.5277@4.6245446 4.6245446 112 602.5277 791.545@4.632787 4.632787 108 791.545 751.5507@4.6252985 4.6252985 130 751.5507 PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) 4.6386166 C00350 141 763.5152 PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) [ C43 H74 N O8 P, db=55.41, overall=55.41, KEGG ID=C00350, HMP ID=HMDB09325, METLIN ID=60721 ] 807.4789@4.639 4.639 14 807.4789 574.4969@4.6473637 4.6473637 11 574.4969 834.5232@4.6465 4.6465 4 834.5232 576.5108@4.65775 4.65775 8 576.5108 793.5619@4.6635 4.6635 2 793.5619 739.5155@4.6666574 4.6666574 134 739.5155 PE(20:2(11Z,14Z)/18:2(9Z,12Z)) 4.66555 C00350 138 767.5459 PE(20:2(11Z,14Z)/18:2(9Z,12Z)) [ C43 H78 N O8 P, db=93.58, overall=93.58, KEGG ID=C00350, HMP ID=HMDB09291, METLIN ID=60687 ] 725.5348@4.670012 4.670012 81 725.5348 191.1526@4.6789494 4.6789494 143 191.1526 753.5642@4.681444 4.681444 9 753.5642 600.4332@4.6832857 4.6832857 14 600.4332 699.5224@4.701878 4.701878 41 699.5224 C40 H76 Cl N5 O3 S 4.710266 75 741.5305 [ C40 H76 Cl N5 O3 S, mfg=66.22, overall=33.11 ] 636.4616@4.719447 4.719447 103 636.4616 636.9633@4.718175 4.718175 40 636.9633 271.2516@4.7285004 4.7285004 2 271.2516 329.3036@4.73 4.73 2 329.3036 743.5464@4.7463574 4.7463574 14 743.5464 658.4752@4.7603335 4.7603335 9 658.4752 C39 H77 N3 O2 S3 4.7479534 65 715.5155 [ C39 H77 N3 O2 S3, mfg=74.55, overall=37.28 ] C41 H81 N3 O2 S3 4.755403 62 743.5477 [ C41 H81 N3 O2 S3, mfg=81.89, overall=40.94 ] 622.9472@4.7591114 4.7591114 9 622.9472 622.4461@4.754372 4.754372 86 622.4461 658.4745@4.793294 4.793294 17 658.4745 622.4456@4.792692 4.792692 13 622.4456 658.4754@4.846963 4.846963 109 658.4754 449.3142@4.845521 4.845521 25 449.3142 658.9768@4.844018 4.844018 55 658.9768 191.152@4.8565664 4.8565664 53 191.152 644.9603@4.87575 4.87575 12 644.9603 644.4598@4.8714805 4.8714805 106 644.4598 563.3518@4.8793974 4.8793974 63 563.3518 183.1015@4.8900185 4.8900185 55 183.1015 101.1204@4.8925004 4.8925004 42 101.1204 644.4603@4.89875 4.89875 12 644.4603 680.9894@4.9455075 4.9455075 67 680.9894 680.4881@4.9454966 4.9454966 127 680.4881 449.3143@4.9830003 4.9830003 18 449.3143 666.4719@4.9765787 4.9765787 109 666.4719 702.501@5.042228 5.042228 122 702.501 688.4851@5.06766 5.06766 109 688.4851 724.5135@5.1309533 5.1309533 126 724.5135 C25 H56 N23 O2 5.153834 103 710.498 [ C25 H56 N23 O2, mfg=74.12, overall=74.12 ] 853.5634@5.1740003 5.1740003 67 853.5634 117.1153@5.170633 5.170633 141 117.1153 99.1048@5.1705008 5.1705008 140 99.1048 175.1213@5.190061 5.190061 98 175.1213 747.0287@5.2165713 5.2165713 7 747.0287 829.561@5.230778 5.230778 99 829.561 115.0995@5.219256 5.219256 43 115.0995 831.577@5.2717648 5.2717648 85 831.577 201.137@5.2764287 5.2764287 7 201.137 895.5314@5.287667 5.287667 18 895.5314 853.5602@5.292072 5.292072 14 853.5602 857.5872@5.4056926 5.4056926 13 857.5872 827.5434@5.275765 5.275765 17 827.5434 779.5467@5.3046 5.3046 5 779.5467 777.5318@5.293216 5.293216 115 777.5318 787.5556@5.339487 5.339487 41 787.5556 885.5035@5.307857 5.307857 7 885.5035 863.6151@5.3246036 5.3246036 139 863.6151 912.5216@5.325092 5.325092 22 912.5216 869.5175@5.3217874 5.3217874 47 869.5175 939.5231@5.3575673 5.3575673 81 939.5231 805.5631@5.3059316 5.3059316 143 805.5631 763.5511@5.2981944 5.2981944 67 763.5511 837.6011@5.334639 5.334639 61 837.6011 833.5929@5.345724 5.345724 119 833.5929 849.6301@5.3334346 5.3334346 23 849.6301 853.5595@5.3120008 5.3120008 13 853.5595 891.6457@5.3294396 5.3294396 25 891.6457 871.5321@5.3573995 5.3573995 125 871.5321 855.5752@5.3351197 5.3351197 67 855.5752 895.5315@5.31249 5.31249 104 895.5315 923.5585@5.3363338 5.3363338 3 923.5585 1232.3413@5.3265 5.3265 2 1232.3413 820.5922@5.3273525 5.3273525 17 820.5922 1219.836@5.3285 5.3285 2 1219.836 851.6482@5.370103 5.370103 29 851.6482 843.5196@5.3248005 5.3248005 90 843.5196 827.5439@5.3264003 5.3264003 75 827.5439 877.6373@5.3205004 5.3205004 2 877.6373 893.6567@5.39575 5.39575 8 893.6567 751.5129@5.3719096 5.3719096 44 751.5129 779.5472@5.3354034 5.3354034 136 779.5472 753.5308@5.340358 5.340358 123 753.5308 1219.3306@5.3354006 5.3354006 5 1219.3306 791.5813@5.3294344 5.3294344 129 791.5813 816.0456@5.335425 5.335425 33 816.0456 835.6071@5.384083 5.384083 48 835.6071 807.5772@5.3403435 5.3403435 93 807.5772 867.6443@5.357889 5.357889 9 867.6443 830.0608@5.3513684 5.3513684 19 830.0608 1207.33@5.3472495 5.3472495 4 1207.33 789.5661@5.307841 5.307841 63 789.5661 911.5386@5.353 5.353 1 911.5386 1233.8458@5.353 5.353 1 1233.8458 793.5972@5.3868403 5.3868403 107 793.5972 873.5485@5.355 5.355 1 873.5485 889.5261@5.373 5.373 2 889.5261 1220.841@5.3595 5.3595 4 1220.841 809.5927@5.370167 5.370167 6 809.5927 923.5598@5.3472 5.3472 5 923.5598 1207.8339@5.3605 5.3605 2 1207.8339 781.5638@5.363609 5.363609 141 781.5638 825.588@5.3933754 5.3933754 16 825.588 891.6452@5.359391 5.359391 69 891.6452 839.6148@5.3635316 5.3635316 120 839.6148 796.5855@5.3806667 5.3806667 18 796.5855 899.5618@5.36725 5.36725 4 899.5618 804.0463@5.362818 5.362818 55 804.0463 845.626@5.372 5.372 7 845.626 792.0482@5.4085 5.4085 4 792.0482 845.5316@5.366061 5.366061 33 845.5316 Alpha-N-Phenylacetyl-L-glutamine 5.379597 C04148 116 264.1117 Alpha-N-Phenylacetyl-L-glutamine [ C13 H16 N2 O4, mfg=89.93, db=89.92, overall=89.93, CAS ID=28047-15-6, KEGG ID=C04148, HMP ID=HMDB06344, METLIN ID=58397 ] 28047-15-6 829.5583@5.3800464 5.3800464 43 829.5583 867.6447@5.3957067 5.3957067 58 867.6447 823.6134@5.356896 5.356896 48 823.6134 777.5297@5.4369125 5.4369125 69 777.5297 798.5884@5.4861345 5.4861345 37 798.5884 370.3189@5.3856006 5.3856006 20 370.3189 763.5511@5.3485007 5.3485007 6 763.5511 1195.8345@5.384 5.384 2 1195.8345 873.5461@5.4076667 5.4076667 15 873.5461 819.0703@5.4597225 5.4597225 18 819.0703 914.5344@5.3670774 5.3670774 39 914.5344 899.561@5.4098396 5.4098396 25 899.561 831.5755@5.3973885 5.3973885 18 831.5755 819.5856@5.315481 5.315481 27 819.5856 1208.8412@5.3895 5.3895 2 1208.8412 811.6034@5.3849998 5.3849998 3 811.6034 833.5928@5.401131 5.401131 23 833.5928 794.0601@5.411 5.411 1 794.0601 845.6396@5.4472504 5.4472504 4 845.6396 1222.3507@5.413 5.413 1 1222.3507 859.5363@5.468 5.468 4 859.5363 769.5734@5.416286 5.416286 14 769.5734 923.562@5.42 5.42 1 923.562 755.5466@5.4295716 5.4295716 135 755.5466 841.6278@5.440524 5.440524 88 841.6278 821.5375@5.429948 5.429948 19 821.5375 815.614@5.454 5.454 26 815.614 847.5403@5.439769 5.439769 13 847.5403 867.6458@5.4503164 5.4503164 57 867.6458 873.5467@5.4358997 5.4358997 50 873.5467 823.5882@5.3935 5.3935 10 823.5882 801.5925@5.4987226 5.4987226 18 801.5925 809.5936@5.4357085 5.4357085 103 809.5936 899.5615@5.432937 5.432937 16 899.5615 796.5881@5.454778 5.454778 9 796.5881 89.084@5.4467707 5.4467707 144 89.084 832.076@5.448 5.448 1 832.076 1209.8514@5.45 5.45 1 1209.8514 763.5529@5.4790773 5.4790773 13 763.5529 827.5484@5.427667 5.427667 3 827.5484 819.6056@5.4248576 5.4248576 49 819.6056 770.5774@5.4304 5.4304 5 770.5774 797.584@5.472961 5.472961 50 797.584 864.5208@5.496942 5.496942 35 864.5208 783.578@5.453432 5.453432 95 783.578 1197.3458@5.468 5.468 3 1197.3458 1197.8499@5.4723334 5.4723334 3 1197.8499 950.539@5.4668765 5.4668765 57 950.539 1563.1156@5.4822 5.4822 10 1563.1156 886.5407@5.4854283 5.4854283 7 886.5407 767.5818@5.449549 5.449549 62 767.5818 1184.3403@5.4839997 5.4839997 12 1184.3403 890.5366@5.4839644 5.4839644 58 890.5366 765.5669@5.361356 5.361356 138 765.5669 942.5584@5.468571 5.468571 21 942.5584 930.5726@5.4707227 5.4707227 58 930.5726 956.5864@5.470939 5.470939 33 956.5864 953.5584@5.473666 5.473666 9 953.5584 125.0146@5.470829 5.470829 130 125.0146 904.5578@5.4742546 5.4742546 129 904.5578 1158.3236@5.49 5.49 2 1158.3236 743.5505@5.484806 5.484806 31 743.5505 1172.3376@5.4903336 5.4903336 3 1172.3376 793.0536@5.484593 5.484593 59 793.0536 772.5816@5.545548 5.545548 42 772.5816 342.2884@5.484162 5.484162 123 342.2884 795.5839@5.394 5.394 31 795.5839 918.5619@5.504667 5.504667 3 918.5619 786.5969@5.581875 5.581875 8 786.5969 821.5373@5.483741 5.483741 50 821.5373 820.0766@5.4833336 5.4833336 3 820.0766 827.6004@5.472 5.472 2 827.6004 780.047@5.5012794 5.5012794 61 780.047 1171.3326@5.487375 5.487375 8 1171.3326 1198.3517@5.4875 5.4875 2 1198.3517 769.0556@5.4800835 5.4800835 12 769.0556 C25 H48 Cl N3 5.5053973 144 425.351 [ C25 H48 Cl N3, mfg=72.40, overall=72.40 ] 879.4695@5.510092 5.510092 11 879.4695 1158.3246@5.5077505 5.5077505 8 1158.3246 838.6262@5.538 5.538 2 838.6262 1541.1353@5.4965 5.4965 2 1541.1353 MG(0:0/22:2(13Z,16Z)/0:0) 5.508654 131 427.3659 MG(0:0/22:2(13Z,16Z)/0:0) [ C25 H46 O4, mfg=45.51, db=84.09, overall=64.80, HMP ID=HMDB11553, METLIN ID=62336 ] 847.6407@5.526222 5.526222 9 847.6407 757.5637@5.528413 5.528413 123 757.5637 795.5202@5.50393 5.50393 72 795.5202 815.6148@5.5131435 5.5131435 104 815.6148 807.0698@5.512 5.512 4 807.0698 C27 H47 N3 O S3 5.5124197 143 525.286 [ C27 H47 N3 O S3, mfg=84.45, overall=42.22 ] 1184.841@5.4940004 5.4940004 10 1184.841 848.54@5.5117 5.5117 10 848.54 746.5663@5.514 5.514 1 746.5663 899.5622@5.676068 5.676068 29 899.5622 873.5465@5.512055 5.512055 18 873.5465 799.5781@5.614105 5.614105 38 799.5781 501.2859@5.533148 5.533148 144 501.2859 890.5367@5.518844 5.518844 45 890.5367 C20 H47 N4 O3 S 5.539812 144 423.3352 [ C20 H47 N4 O3 S, mfg=80.80, overall=80.80 ] 1172.3379@5.6024446 5.6024446 9 1172.3379 918.5639@5.54 5.54 2 918.5639 1537.0999@5.5030837 5.5030837 12 1537.0999 767.5819@5.4979997 5.4979997 8 767.5819 767.0412@5.542 5.542 1 767.0412 1159.3368@5.635875 5.635875 8 1159.3368 783.0687@5.638 5.638 2 783.0687 789.592@5.608143 5.608143 7 789.592 481.3167@5.548973 5.548973 114 481.3167 794.0612@5.5378127 5.5378127 16 794.0612 780.0462@5.5486393 5.5486393 25 780.0462 835.6074@5.459154 5.459154 13 835.6074 769.0541@5.5445004 5.5445004 4 769.0541 795.5193@5.5415387 5.5415387 13 795.5193 847.5334@5.5187054 5.5187054 51 847.5334 731.5464@5.561168 5.561168 119 731.5464 C26 H49 Cl2 O3 5.5623264 119 479.302 [ C26 H49 Cl2 O3, mfg=65.65, overall=32.82 ] 829.6251@5.572 5.572 1 829.6251 745.5624@5.576373 5.576373 51 745.5624 767.0402@5.67875 5.67875 4 767.0402 823.5683@5.50675 5.50675 8 823.5683 799.5962@5.594 5.594 3 799.5962 845.6478@5.583 5.583 1 845.6478 795.6101@5.55425 5.55425 4 795.6101 875.5624@5.564 5.564 10 875.5624 741.567@5.5005608 5.5005608 128 741.567 796.5248@5.5542502 5.5542502 4 796.5248 890.536@5.56425 5.56425 8 890.536 811.609@5.5316 5.5316 5 811.609 706.5351@5.588 5.588 1 706.5351 103.0996@5.588437 5.588437 16 103.0996 794.063@5.712802 5.712802 85 794.063 864.523@5.551364 5.551364 11 864.523 C22 H44 Cl N5 O2 S 5.591867 144 477.286 [ C22 H44 Cl N5 O2 S, mfg=76.21, overall=38.11 ] 918.5675@5.59 5.59 2 918.5675 867.646@5.5372505 5.5372505 12 867.646 769.5931@5.5674567 5.5674567 35 769.5931 733.5556@5.6307507 5.6307507 4 733.5556 746.5647@5.5968 5.5968 5 746.5647 C24 H41 N5 5.5997624 144 399.3352 [ C24 H41 N5, mfg=95.10, overall=95.10 ] 246.1375@5.604364 5.604364 140 246.1375 453.2858@5.6105747 5.6105747 101 453.2858 187.1213@5.615713 5.615713 21 187.1213 773.5851@5.5863333 5.5863333 9 773.5851 732.5502@5.565479 5.565479 23 732.5502 795.6103@5.7165 5.7165 4 795.6103 314.2582@5.636 5.636 1 314.2582 759.5748@5.5551662 5.5551662 6 759.5748 159.1071@5.660673 5.660673 98 159.1071 274.2073@5.664039 5.664039 26 274.2073 85.089@5.665835 5.665835 55 85.089 115.0995@5.6659 5.6659 50 115.0995 C6 H15 N O2 5.665354 144 133.1103 [ C6 H15 N O2, mfg=99.54, overall=99.54 ] 797.5332@5.714375 5.714375 8 797.5332 155.0928@5.689109 5.689109 129 155.0928 1241.3322@5.7042856 5.7042856 7 1241.3322 481.7628@5.71375 5.71375 4 481.7628 1234.3566@5.71 5.71 1 1234.3566 1539.1145@5.7095003 5.7095003 2 1539.1145 1208.3451@5.711 5.711 1 1208.3451 1220.3495@5.7079997 5.7079997 8 1220.3495 1075.7864@5.7151 5.7151 10 1075.7864 1172.842@5.6904287 5.6904287 14 1172.842 1187.3624@5.7067494 5.7067494 12 1187.3624 1207.8444@5.708286 5.708286 7 1207.8444 1160.8403@5.7081428 5.7081428 7 1160.8403 840.5699@5.7133746 5.7133746 8 840.5699 1177.7686@5.7134843 5.7134843 118 1177.7686 1173.8514@5.7047443 5.7047443 43 1173.8514 1174.3529@5.712667 5.712667 3 1174.3529 1109.7806@5.714255 5.714255 130 1109.7806 821.5204@5.7165 5.7165 88 821.5204 1220.8497@5.7086 5.7086 5 1220.8497 950.5254@5.716 5.716 1 950.5254 873.5466@5.714195 5.714195 143 873.5466 1187.8661@5.716 5.716 1 1187.8661 983.5054@5.7162623 5.7162623 138 983.5054 1313.7411@5.7138014 5.7138014 55 1313.7411 905.8188@5.716416 5.716416 140 905.8188 930.5423@5.7140007 5.7140007 55 930.5423 849.041@5.71387 5.71387 46 849.041 851.8468@5.7178493 5.7178493 40 851.8468 847.5314@5.717167 5.717167 144 847.5314 768.0483@5.718688 5.718688 16 768.0483 1041.794@5.7147346 5.7147346 135 1041.794 837.8312@5.717347 5.717347 144 837.8312 814.5484@5.714903 5.714903 71 814.5484 964.5373@5.719 5.719 1 964.5373 973.8061@5.71556 5.71556 141 973.8061 882.5353@5.7138934 5.7138934 104 882.5353 915.5182@5.7172766 5.7172766 144 915.5182 883.5446@5.715 5.715 4 883.5446 897.0492@5.7167497 5.7167497 4 897.0492 1011.5354@5.7185802 5.7185802 134 1011.5354 462.2908@5.722 5.722 2 462.2908 896.5488@5.714509 5.714509 67 896.5488 986.5251@5.7205 5.7205 2 986.5251 436.2693@5.718125 5.718125 8 436.2693 850.5624@5.837297 5.837297 47 850.5624 829.0631@5.7173657 5.7173657 41 829.0631 909.5562@5.715577 5.715577 26 909.5562 863.0573@5.7206 5.7206 5 863.0573 813.085@5.719 5.719 2 813.085 821.0845@5.7162876 5.7162876 73 821.0845 782.0628@5.719 5.719 2 782.0628 469.7587@5.718593 5.718593 141 469.7587 815.5587@5.718277 5.718277 18 815.5587 801.0718@5.7195377 5.7195377 26 801.0718 769.8442@5.7179427 5.7179427 142 769.8442 808.0777@5.716889 5.716889 144 808.0777 633.869@5.7190833 5.7190833 144 633.869 C12 H2 N2 O12 S2 5.719559 144 429.907 [ C12 H2 N2 O12 S2, mfg=66.29, overall=66.29 ] 842.0714@5.717822 5.717822 45 842.0714 779.5445@5.71592 5.71592 144 779.5445 443.9224@5.720095 5.720095 83 443.9224 807.5758@5.7188396 5.7188396 144 807.5758 579.8968@5.7192545 5.7192545 47 579.8968 783.8589@5.7180386 5.7180386 52 783.8589 901.5768@5.718222 5.718222 18 901.5768 701.8564@5.7188034 5.7188034 144 701.8564 C15 H2 N2 O14 S2 5.7195325 144 497.8943 [ C15 H2 N2 O14 S2, mfg=75.47, overall=75.47 ] 862.5532@5.717286 5.717286 21 862.5532 820.5828@5.715706 5.715706 112 820.5828 C8 H2 N O6 S 5.7201567 138 239.9606 [ C8 H2 N O6 S, mfg=87.08, overall=87.08 ] 841.5706@5.7166214 5.7166214 111 841.5706 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) 5.7183104 C00350 58 834.5925 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) [ C47 H80 N O8 P, db=61.29, overall=61.29, KEGG ID=C00350, HMP ID=HMDB09692, METLIN ID=61081 ] 1053.5078@5.718445 5.718445 9 1053.5078 483.2689@5.719351 5.719351 57 483.2689 794.5677@5.716515 5.716515 124 794.5677 875.5626@5.7191396 5.7191396 143 875.5626 969.5649@5.720928 5.720928 14 969.5649 402.2741@5.71925 5.71925 4 402.2741 795.0697@5.7175336 5.7175336 60 795.0697 375.9352@5.719918 5.719918 61 375.9352 414.7794@5.7187285 5.7187285 137 414.7794 753.5287@5.716155 5.716155 130 753.5287 C7 N O6 S 5.720245 144 225.9455 [ C7 N O6 S, mfg=80.87, overall=80.87 ] 943.5492@5.71913 5.71913 144 943.5492 918.5366@5.7202 5.7202 5 918.5366 816.0561@5.72 5.72 3 816.0561 C14 H2 O8 S2 5.71976 144 361.9196 [ C14 H2 O8 S2, mfg=74.57, overall=74.57 ] C4 N O4 S 5.7205095 142 157.9572 [ C4 N O4 S, mfg=62.71, overall=62.71 ] 401.7716@5.7191377 5.7191377 94 401.7716 89.9695@5.7205415 5.7205415 143 89.9695 C7 H2 O11 S 5.720251 144 293.9322 [ C7 H2 O11 S, mfg=87.68, overall=87.68 ] C18 H2 N2 O16 S2 5.7192707 144 565.8817 [ C18 H2 N2 O16 S2, mfg=66.64, overall=66.64 ] 828.5604@5.7161994 5.7161994 115 828.5604 482.767@5.7185955 5.7185955 144 482.767 788.0618@5.721652 5.721652 23 788.0618 1079.5193@5.7195344 5.7195344 15 1079.5193 801.5662@5.7408333 5.7408333 6 801.5662 384.0291@5.7320256 5.7320256 140 384.0291 C10 H8 N4 O4 5.733158 144 248.0545 [ C10 H8 N4 O4, mfg=97.14, overall=48.57 ] Indoleacrylic acid 5.742531 C00331 143 187.064 Indoleacrylic acid [ C11 H9 N O2, mfg=88.56, db=88.38, overall=88.47, CAS ID=1204-06-4, KEGG ID=C00331, HMP ID=HMDB00734, METLIN ID=5702 ] 1204-06-4 863.5056@5.7670803 5.7670803 138 863.5056 891.5356@5.759085 5.759085 140 891.5356 Concanamycin A 5.802052 C15761 96 865.5198 Concanamycin A [ C46 H75 N O14, db=78.20, overall=78.20, CAS ID=80890-47-7, KEGG ID=C15761, METLIN ID=71092 ] 80890-47-7 821.5335@5.7945433 5.7945433 35 821.5335 795.5181@5.786022 5.786022 131 795.5181 273.8668@5.782975 5.782975 39 273.8668 933.5248@5.804182 5.804182 11 933.5248 121.9173@5.7869277 5.7869277 141 121.9173 823.5492@5.7872105 5.7872105 85 823.5492 289.8404@5.790417 5.790417 117 289.8404 PG(18:1(11Z)/20:3(5Z,8Z,11Z)) 5.836312 93 798.5366 PG(18:1(11Z)/20:3(5Z,8Z,11Z)) [ C44 H79 O10 P, db=64.00, overall=64.00, HMP ID=HMDB10623, METLIN ID=61894 ] 879.4793@5.7988753 5.7988753 129 879.4793 907.5098@5.805364 5.805364 133 907.5098 881.4943@5.8072715 5.8072715 59 881.4943 891.5393@5.816 5.816 5 891.5393 866.5231@5.832621 5.832621 37 866.5231 891.5361@5.8509216 5.8509216 140 891.5361 795.5181@5.8566055 5.8566055 86 795.5181 849.5568@5.849371 5.849371 116 849.5568 797.5333@5.849384 5.849384 39 797.5333 875.5628@5.868552 5.868552 141 875.5628 823.549@5.860235 5.860235 123 823.549 802.5583@5.784001 5.784001 16 802.5583 789.5628@5.746625 5.746625 8 789.5628 990.614@5.863413 5.863413 70 990.614 817.631@5.8147206 5.8147206 25 817.631 165.0795@5.862868 5.862868 144 165.0795 171.0997@5.863146 5.863146 144 171.0997 125.0936@5.864203 5.864203 64 125.0936 807.5747@5.8656206 5.8656206 121 807.5747 968.6191@5.871 5.871 18 968.6191 974.6383@5.868573 5.868573 75 974.6383 1000.6557@5.8677783 5.8677783 99 1000.6557 781.5582@5.8388343 5.8388343 54 781.5582 4'-O-Methylisoflavone 5.8829455 C03074 72 252.0788 4'-O-Methylisoflavone [ C16 H12 O3, mfg=68.41, db=68.41, overall=68.41, KEGG ID=C03074, METLIN ID=65901 ] 149.1053@5.9002266 5.9002266 84 149.1053 114.0429@5.9592857 5.9592857 28 114.0429 C19 H37 N O4 5.957316 130 343.2725 [ C19 H37 N O4, mfg=88.02, overall=88.02 ] 2-Methylbutanal 5.961355 C02223 144 103.0997 2-Methylbutanal [ C5 H10 O, mfg=47.36, db=99.52, overall=73.44, CAS ID=96-17-3, KEGG ID=C02223, METLIN ID=65731 ] 96-17-3 185.1059@5.9721975 5.9721975 80 185.1059 127.0636@5.9709206 5.9709206 25 127.0636 Decylubiquinol 5.981679 C15495 109 341.2569 Decylubiquinol [ C19 H32 O4, mfg=47.43, db=82.71, overall=65.07, KEGG ID=C15495, METLIN ID=70946 ] 781.5595@5.9735346 5.9735346 56 781.5595 797.5338@5.977333 5.977333 24 797.5338 807.5749@5.978784 5.978784 79 807.5749 131.0947@5.9795923 5.9795923 144 131.0947 85.089@5.9799533 5.9799533 131 85.089 341.2567@6.010091 6.010091 11 341.2567 239.0953@6.027067 6.027067 105 239.0953 114.043@6.005387 6.005387 44 114.043 85.089@6.057223 6.057223 81 85.089 164.048@6.0580673 6.0580673 76 164.048 960.6499@6.058501 6.058501 46 960.6499 934.6352@6.058453 6.058453 53 934.6352 200.1531@6.061228 6.061228 62 200.1531 131.0947@6.0575 6.0575 143 131.0947 833.5847@5.9512143 5.9512143 28 833.5847 807.5751@6.0618668 6.0618668 141 807.5751 984.6132@6.056039 6.056039 54 984.6132 849.5489@6.0635805 6.0635805 119 849.5489 781.5596@6.059216 6.059216 129 781.5596 PE(22:2(13Z,16Z)/15:0) 6.057643 C00350 106 779.5438 PE(22:2(13Z,16Z)/15:0) [ C42 H80 N O8 P, db=63.97, overall=63.97, KEGG ID=C00350, HMP ID=HMDB09549, METLIN ID=60938 ] 823.5486@6.065615 6.065615 143 823.5486 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) + 6.065796 6.065796 C00350 133 797.5332 PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) [ C45 H78 N O7 P, db=86.33, overall=86.33, KEGG ID=C00350, HMP ID=HMDB09677, METLIN ID=61066 ] 795.5227@6.0672445 6.0672445 45 795.5227 C3 H6 N3 O S 6.07241 139 132.0247 [ C3 H6 N3 O S, mfg=73.40, overall=36.70 ] 102.0794@6.0822783 6.0822783 108 102.0794 149.1053@6.081089 6.081089 34 149.1053 208.0956@6.0895996 6.0895996 127 208.0956 252.1216@6.089951 6.089951 141 252.1216 105.079@6.074436 6.074436 136 105.079 344.8907@6.0807543 6.0807543 57 344.8907 163.1211@6.1011953 6.1011953 72 163.1211 Cycloleucine 6.122746 C03969 123 129.0795 Cycloleucine [ C6 H11 N O2, mfg=75.65, db=75.64, overall=75.64, CAS ID=52-52-8, KEGG ID=C03969, METLIN ID=44142 ] 52-52-8 9(S)-HpOTrE 6.1344647 C16321 LMFA02000018 116 327.2412 9(S)-HpOTrE [ C18 H30 O4, mfg=47.04, db=82.35, overall=64.69, CAS ID=111004-08-1, Lipid ID=LMFA02000018, KEGG ID=C16321, METLIN ID=36025 ] 111004-08-1 C17 H33 N O4 6.1667666 144 315.2414 [ C17 H33 N O4, mfg=98.64, overall=98.64 ] 296.1475@6.1630692 6.1630692 114 296.1475 159.0907@6.210667 6.210667 27 159.0907 C17 H31 N O4 6.20557 144 313.2257 [ C17 H31 N O4, mfg=84.86, overall=84.86 ] 645.4013@6.2433333 6.2433333 3 645.4013 833.5864@6.1555004 6.1555004 2 833.5864 785.5935@6.2310004 6.2310004 16 785.5935 781.56@6.2358365 6.2358365 92 781.56 117.0791@6.236521 6.236521 144 117.0791 71.0734@6.2365036 6.2365036 143 71.0734 161.0433@6.2392664 6.2392664 90 161.0433 C39 H69 S4 6.2511654 67 665.4265 [ C39 H69 S4, mfg=79.51, overall=79.51 ] 380.2902@6.2399025 6.2399025 31 380.2902 C7 H8 N2 O 6.2553687 142 136.0636 [ C7 H8 N2 O, mfg=92.75, overall=92.75 ] 357.2004@6.2573857 6.2573857 130 357.2004 2'-O-Methyladenosine 6.290368 C04779 144 281.1129 2'-O-Methyladenosine [ C11 H15 N5 O4, mfg=95.29, db=95.28, overall=95.29, CAS ID=2140-79-6, KEGG ID=C04779, HMP ID=HMDB04326, METLIN ID=58235 ] 2140-79-6 309.1945@6.3404593 6.3404593 107 309.1945 C18 H35 N5 O S2 6.3411307 138 401.2265 [ C18 H35 N5 O S2, mfg=78.92, overall=78.92 ] C15 H29 N O4 6.349479 144 287.2102 [ C15 H29 N O4, mfg=97.92, overall=97.92 ] 309.1945@6.3798327 6.3798327 24 309.1945 593.3692@6.3811116 6.3811116 27 593.3692 700.5518@6.47201 6.47201 96 700.5518 729.5866@6.543 6.543 9 729.5866 C20 H39 N5 O2 S2 6.42112 126 445.2527 [ C20 H39 N5 O2 S2, mfg=82.34, overall=82.34 ] 688.5517@6.560947 6.560947 94 688.5517 674.5358@6.46345 6.46345 20 674.5358 C15 H27 N O4 6.4690003 144 285.1946 [ C15 H27 N O4, mfg=97.98, overall=97.98 ] 646.5045@6.494133 6.494133 15 646.5045 130.1107@6.483 6.483 1 130.1107 567.3326@6.4878945 6.4878945 104 567.3326 689.5549@6.508 6.508 1 689.5549 674.5362@6.521091 6.521091 76 674.5362 543.3329@6.5131855 6.5131855 135 543.3329 Chenodeoxycholic acid sulfate 6.50401 105 489.279 Chenodeoxycholic acid sulfate [ C24 H40 O7 S, db=56.18, overall=28.09, CAS ID=59132-31-9, HMP ID=HMDB02522, METLIN ID=6709 ] 59132-31-9 675.5385@6.5099444 6.5099444 18 675.5385 DL-pipecolic acid 6.53862 C00408 139 129.0792 DL-pipecolic acid [ C6 H11 N O2, mfg=87.95, db=87.95, overall=87.95, CAS ID=535-75-1, KEGG ID=C00408, HMP ID=HMDB00070, METLIN ID=50 ] 535-75-1 523.3641@6.539597 6.539597 144 523.3641 Tussilagine 6.543717 C10411 123 199.1215 Tussilagine [ C10 H17 N O3, db=48.75, overall=48.75, CAS ID=80151-77-5, KEGG ID=C10411, METLIN ID=68315 ] 80151-77-5 238.0977@6.567833 6.567833 6 238.0977 75.0685@6.547379 6.547379 124 75.0685 689.5548@6.5640006 6.5640006 3 689.5548 521.3485@6.5526814 6.5526814 144 521.3485 569.3485@6.5537243 6.5537243 29 569.3485 674.5361@6.55393 6.55393 57 674.5361 D-Proline 6.5531535 C00763 144 115.0633 D-Proline [ C5 H9 N O2, mfg=96.37, db=87.59, overall=91.98, CAS ID=344-25-2, KEGG ID=C00763, HMP ID=HMDB03411, METLIN ID=58150 ] 344-25-2 69.0577@6.553159 6.553159 144 69.0577 702.5675@6.5904455 6.5904455 94 702.5675 809.5918@6.5790005 6.5790005 11 809.5918 479.338@6.5575304 6.5575304 144 479.338 C7 H7 N5 S 6.5537014 74 193.0412 [ C7 H7 N5 S, mfg=77.68, overall=77.68 ] 393.0382@6.5573335 6.5573335 6 393.0382 105.079@6.561135 6.561135 95 105.079 700.5517@6.5139656 6.5139656 56 700.5517 750.5645@6.5656667 6.5656667 9 750.5645 725.5525@6.5563045 6.5563045 36 725.5525 359.2673@6.5615096 6.5615096 57 359.2673 C28 H55 N6 S3 6.5751324 121 571.363 [ C28 H55 N6 S3, mfg=84.72, overall=84.72 ] 509.3484@6.575243 6.575243 58 509.3484 216.1117@6.5682645 6.5682645 34 216.1117 541.3151@6.5733743 6.5733743 56 541.3151 C30 H47 O7 6.5903344 144 519.3329 [ C30 H47 O7, mfg=76.70, overall=76.70 ] 567.3327@6.5928216 6.5928216 144 567.3327 549.3796@6.595439 6.595439 136 549.3796 C30 H49 N2 S3 6.590474 59 533.3051 [ C30 H49 N2 S3, mfg=78.02, overall=78.02 ] C27 H57 N2 O4 S3 6.604306 72 569.3471 [ C27 H57 N2 O4 S3, mfg=83.53, overall=83.53 ] C13 H25 N O4 6.59653 141 259.1791 [ C13 H25 N O4, mfg=92.10, overall=92.10 ] 495.333@6.6159925 6.6159925 144 495.333 543.3329@6.6318674 6.6318674 144 543.3329 724.5491@6.6134815 6.6134815 133 724.5491 601.3815@6.633115 6.633115 87 601.3815 645.2712@6.6393375 6.6393375 104 645.2712 545.3474@6.6175103 6.6175103 45 545.3474 561.3209@6.6423283 6.6423283 113 561.3209 C28 H55 O9 S2 6.6462836 113 599.3274 [ C28 H55 O9 S2, mfg=47.62, overall=47.62 ] 559.3048@6.646867 6.646867 127 559.3048 523.3647@6.6497416 6.6497416 144 523.3647 493.3173@6.6498075 6.6498075 135 493.3173 579.4016@6.6513095 6.6513095 142 579.4016 700.5513@6.595728 6.595728 11 700.5513 674.536@6.6533527 6.6533527 17 674.536 781.4284@6.6534724 6.6534724 127 781.4284 716.581@6.657949 6.657949 20 716.581 C11 H18 N O S3 6.6572638 137 276.0552 [ C11 H18 N O S3, mfg=92.94, overall=92.94 ] ?-Alanine 6.654223 C00099 109 89.0475 ?-Alanine [ C3 H7 N O2, mfg=83.78, db=83.77, overall=83.77, CAS ID=107-95-9, KEGG ID=C00099, HMP ID=HMDB00056, METLIN ID=36 ] 107-95-9 704.5748@6.6177 6.6177 10 704.5748 260.0814@6.6571164 6.6571164 112 260.0814 521.3489@6.6591396 6.6591396 144 521.3489 C33 H41 N4 O3 6.6599216 133 541.3172 [ C33 H41 N4 O3, mfg=75.04, overall=75.04 ] 353.1629@6.6562495 6.6562495 116 353.1629 481.3162@6.662257 6.662257 43 481.3162 282.1367@6.6756725 6.6756725 70 282.1367 498.1799@6.6633015 6.6633015 137 498.1799 296.1525@6.6684833 6.6684833 95 296.1525 759.4464@6.6660953 6.6660953 138 759.4464 514.1535@6.669458 6.669458 96 514.1535 325.1676@6.6819158 6.6819158 98 325.1676 779.4156@6.6661835 6.6661835 81 779.4156 736.2794@6.6714315 6.6714315 126 736.2794 1018.3772@6.673059 6.673059 17 1018.3772 327.1474@6.6649714 6.6649714 138 327.1474 538.1111@6.679179 6.679179 107 538.1111 509.3485@6.678806 6.678806 144 509.3485 525.1147@6.681506 6.681506 87 525.1147 747.4459@6.68075 6.68075 135 747.4459 940.6658@6.6821175 6.6821175 68 940.6658 1356.888@6.6858587 6.6858587 85 1356.888 971.3722@6.6855707 6.6855707 84 971.3722 1277.8564@6.685282 6.685282 125 1277.8564 1205.482@6.6855693 6.6855693 133 1205.482 1357.2227@6.685492 6.685492 112 1357.2227 767.2178@6.6824465 6.6824465 115 767.2178 C9 H14 N6 S 6.684027 143 238.0994 [ C9 H14 N6 S, mfg=96.13, overall=96.13 ] 714.2982@6.685189 6.685189 138 714.2982 1198.8253@6.6855016 6.6855016 92 1198.8253 1191.1628@6.6854615 6.6854615 87 1191.1628 1436.5887@6.685829 6.685829 70 1436.5887 752.2518@6.686912 6.686912 126 752.2518 1270.5302@6.685673 6.685673 67 1270.5302 1118.793@6.685393 6.685393 110 1118.793 963.3872@6.6853895 6.6853895 136 963.3872 1190.4941@6.686065 6.686065 138 1190.4941 1071.446@6.6857157 6.6857157 138 1071.446 952.3956@6.6856947 6.6856947 138 952.3956 1071.9471@6.685738 6.685738 138 1071.9471 1429.0927@6.6863923 6.6863923 107 1429.0927 1198.4915@6.685179 6.685179 123 1198.4915 1082.4362@6.6857824 6.6857824 138 1082.4362 1119.1254@6.685552 6.685552 96 1119.1254 1364.8873@6.6853924 6.6853924 46 1364.8873 1439.585@6.686308 6.686308 111 1439.585 952.8977@6.6856017 6.6856017 138 952.8977 502.1942@6.685722 6.685722 136 502.1942 1320.5347@6.6861897 6.6861897 127 1320.5347 264.0958@6.686671 6.686671 106 264.0958 1201.987@6.6861963 6.6861963 138 1201.987 1082.938@6.6858845 6.6858845 138 1082.938 1190.8322@6.6854367 6.6854367 83 1190.8322 739.28@6.6864114 6.6864114 17 739.28 1364.5511@6.686115 6.686115 114 1364.5511 1349.5642@6.6855516 6.6855516 29 1349.5642 1310.0457@6.6864367 6.6864367 137 1310.0457 1284.8514@6.685476 6.685476 105 1284.8514 1356.5573@6.6895 6.6895 2 1356.5573 1440.0865@6.6864924 6.6864924 134 1440.0865 1277.524@6.6856313 6.6856313 114 1277.524 963.8883@6.6856065 6.6856065 138 963.8883 1201.4854@6.686051 6.686051 136 1201.4854 990.3499@6.687535 6.687535 127 990.3499 978.3784@6.6871357 6.6871357 105 978.3784 1321.0363@6.686448 6.686448 138 1321.0363 1190.9965@6.686102 6.686102 138 1190.9965 763.2135@6.6852593 6.6852593 77 763.2135 974.3779@6.68772 6.68772 132 974.3779 1309.5446@6.6863413 6.6863413 129 1309.5446 357.1577@6.666462 6.666462 128 357.1577 757.4317@6.693974 6.693974 138 757.4317 C25 H49 N3 O6 S 6.695165 144 519.3334 [ C25 H49 N3 O6 S, mfg=90.14, overall=90.14 ] 296.1525@6.7015653 6.7015653 115 296.1525 507.3326@6.701854 6.701854 144 507.3326 1018.3803@6.6962295 6.6962295 101 1018.3803 770.2157@6.7006965 6.7006965 138 770.2157 736.2792@6.705414 6.705414 106 736.2792 C33 H57 N2 O2 S2 6.706515 142 577.3856 [ C33 H57 N2 O2 S2, mfg=83.49, overall=83.49 ] 514.1536@6.7070465 6.7070465 84 514.1536 736.7808@6.7108994 6.7108994 99 736.7808 355.1766@6.679223 6.679223 76 355.1766 733.4323@6.7097316 6.7097316 138 733.4323 467.301@6.7121644 6.7121644 79 467.301 C15 H31 Cl N9 O2 S4 6.709432 136 532.1177 [ C15 H31 Cl N9 O2 S4, mfg=95.69, overall=95.69 ] 1014.6637@6.711264 6.711264 117 1014.6637 1017.509@6.7100663 6.7100663 119 1017.509 498.18@6.7128425 6.7128425 120 498.18 779.4122@6.7117267 6.7117267 114 779.4122 736.423@6.7106247 6.7106247 16 736.423 1231.6086@6.712745 6.712745 129 1231.6086 865.3976@6.716191 6.716191 90 865.3976 996.3583@6.7155375 6.7155375 56 996.3583 813.3496@6.7134814 6.7134814 137 813.3496 1027.4482@6.716081 6.716081 125 1027.4482 1024.4509@6.715538 6.715538 80 1024.4509 Naltrexone 6.714253 C07253 138 341.1627 Naltrexone [ C20 H23 N O4, mfg=71.36, db=71.36, overall=71.36, CAS ID=16590-41-3, KEGG ID=C07253, METLIN ID=1425 ] 16590-41-3 541.315@6.7146373 6.7146373 44 541.315 495.3332@6.7160974 6.7160974 144 495.3332 864.8954@6.7164483 6.7164483 123 864.8954 795.3466@6.7176843 6.7176843 133 795.3466 993.5113@6.7183914 6.7183914 138 993.5113 728.583@6.626871 6.626871 31 728.583 786.3502@6.719347 6.719347 109 786.3502 758.2606@6.7197914 6.7197914 137 758.2606 (S)-Scoulerine 6.7199917 C02106 138 327.1472 (S)-Scoulerine [ C19 H21 N O4, mfg=83.81, db=83.82, overall=83.82, CAS ID=6451-73-6, KEGG ID=C02106, METLIN ID=64362 ] 6451-73-6 996.5804@6.7246666 6.7246666 3 996.5804 746.3481@6.719822 6.719822 113 746.3481 C29 N O20 S2 6.7195992 136 745.847 [ C29 N O20 S2, mfg=74.85, overall=74.85 ] 260.0814@6.720815 6.720815 137 260.0814 808.6445@6.6881 6.6881 10 808.6445 731.4151@6.7224135 6.7224135 87 731.4151 626.7971@6.722758 6.722758 104 626.7971 789.3507@6.7209973 6.7209973 127 789.3507 553.3859@6.720491 6.720491 144 553.3859 359.1725@6.7145443 6.7145443 33 359.1725 855.3342@6.7266817 6.7266817 22 855.3342 HBA 6.7229643 C11109 144 103.0633 HBA [ C4 H9 N O2, mfg=87.63, db=87.63, overall=87.63, KEGG ID=C11109, METLIN ID=68850 ] 276.0551@6.7246103 6.7246103 136 276.0551 755.4133@6.7239485 6.7239485 138 755.4133 C17 H33 N O5 6.720798 140 331.2362 [ C17 H33 N O5, mfg=94.57, overall=94.57 ] 704.5764@6.769667 6.769667 3 704.5764 C38 H30 N6 O3 6.727586 144 617.2355 [ C38 H30 N6 O3, mfg=70.05, overall=35.03 ] 716.582@6.7175336 6.7175336 15 716.582 C24 H49 N6 S3 6.728274 140 517.3154 [ C24 H49 N6 S3, mfg=84.55, overall=84.55 ] C29 H49 O9 S 6.7278943 144 573.31 [ C29 H49 O9 S, mfg=96.70, overall=96.70 ] C18 H45 N8 O6 S2 6.7291956 144 533.2888 [ C18 H45 N8 O6 S2, mfg=90.45, overall=90.45 ] C38 H82 N3 O3 S3 6.7370434 118 724.5498 [ C38 H82 N3 O3 S3, mfg=75.43, overall=75.43 ] 493.3173@6.7413683 6.7413683 144 493.3173 Artemisin 6.7451277 C09344 86 279.1478 Artemisin [ C15 H18 O4, mfg=46.44, db=80.45, overall=63.44, CAS ID=481-05-0, KEGG ID=C09344, METLIN ID=41190 ] 481-05-0 481.3172@6.7583256 6.7583256 144 481.3172 621.3556@6.7567496 6.7567496 8 621.3556 245.1634@6.767884 6.767884 143 245.1634 509.3843@6.799086 6.799086 35 509.3843 507.369@6.797736 6.797736 144 507.369 159.09@6.8154345 6.8154345 101 159.09 Buprenorphine 6.8078637 C08007 144 467.3014 Buprenorphine [ C29 H41 N O4, mfg=83.06, db=83.05, overall=83.06, CAS ID=52485-79-7, KEGG ID=C08007, METLIN ID=1420 ] 52485-79-7 Otonecine 6.8133545 C10356 144 185.1058 Otonecine [ C9 H15 N O3, mfg=93.24, db=93.22, overall=93.23, CAS ID=6887-34-9, KEGG ID=C10356, METLIN ID=68272 ] 6887-34-9 Carboxynorspermidine 6.846429 C18174 144 175.1325 Carboxynorspermidine [ C7 H17 N3 O2, mfg=97.43, db=97.43, overall=97.43, CAS ID=, KEGG ID=C18174, METLIN ID=63486 ] Valine 6.846879 C16436 144 117.0789 Valine [ C5 H11 N O2, mfg=99.50, db=99.50, overall=99.50, CAS ID=516-06-3, KEGG ID=C16436, METLIN ID=71199 ] 516-06-3 311.1522@6.849631 6.849631 19 311.1522 C28 H49 O6 6.860853 144 481.3536 [ C28 H49 O6, mfg=92.75, overall=92.75 ] 9-Hydroxyphenanthrene 6.872808 C11430 136 194.0732 9-Hydroxyphenanthrene [ C14 H10 O, mfg=64.47, db=58.75, overall=61.61, CAS ID=484-17-3, KEGG ID=C11430, METLIN ID=69034 ] 484-17-3 243.1479@6.8683176 6.8683176 76 243.1479 C29 H43 N4 O4 6.88116 139 511.3276 [ C29 H43 N4 O4, mfg=78.97, overall=78.97 ] 103.0633@6.872803 6.872803 56 103.0633 185.9743@6.8985457 6.8985457 11 185.9743 Anthranilic acid 6.937872 C00108 142 137.0478 Anthranilic acid [ C7 H7 N O2, mfg=99.16, db=99.16, overall=99.16, CAS ID=118-92-3, KEGG ID=C00108, METLIN ID=317 ] 118-92-3 C15 H29 N O5 6.9432955 138 303.2049 [ C15 H29 N O5, mfg=92.22, overall=92.22 ] 193.1109@6.9484143 6.9484143 125 193.1109 DL-2-Aminooctanoic acid 6.949945 144 159.1263 DL-2-Aminooctanoic acid [ C8 H17 N O2, mfg=99.46, db=99.46, overall=99.46, CAS ID=664-90-6, HMP ID=HMDB00991, METLIN ID=5923 ] 664-90-6 N(alpha)-t-Butoxycarbonyl-L-leucine 6.953874 C04301 144 231.1478 N(alpha)-t-Butoxycarbonyl-L-leucine [ C11 H21 N O4, mfg=97.97, db=97.97, overall=97.97, KEGG ID=C04301, METLIN ID=66157 ] 157.1106@6.961019 6.961019 116 157.1106 201.1484@6.9909997 6.9909997 84 201.1484 1-Aminocyclohexanecarboxylic acid 6.990647 144 143.0948 1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, mfg=99.14, db=99.14, overall=99.14, CAS ID=2756-85-6, HMP ID=HMDB02279, METLIN ID=6589 ] 2756-85-6 346.0871@7.009671 7.009671 138 346.0871 174.1371@7.019461 7.019461 63 174.1371 130.1109@7.0662174 7.0662174 138 130.1109 511.3277@7.082778 7.082778 137 511.3277 247.995@7.105175 7.105175 23 247.995 533.309@7.091834 7.091834 30 533.309 C5 H6 N5 O2 7.101493 142 168.0514 [ C5 H6 N5 O2, mfg=92.33, overall=92.33 ] 348.0583@7.101262 7.101262 142 348.0583 4-Oxoproline 7.10175 C01877 144 129.0429 4-Oxoproline [ C5 H7 N O3, mfg=98.44, db=98.37, overall=98.40, CAS ID=, KEGG ID=C01877, METLIN ID=63471 ] 810.6606@7.1049066 7.1049066 64 810.6606 809.5892@7.104666 7.104666 3 809.5892 730.5987@7.10419 7.10419 21 730.5987 806.6252@7.1083636 7.1083636 11 806.6252 159.1259@7.1685743 7.1685743 47 159.1259 217.1322@7.1844416 7.1844416 143 217.1322 131.0698@7.203744 7.203744 144 131.0698 L-prolyl-L-glycine 7.2175937 138 172.0853 L-prolyl-L-glycine [ C7 H12 N2 O3, mfg=98.07, db=98.07, overall=98.07, HMP ID=HMDB11178, METLIN ID=62025 ] 177.0796@7.2310157 7.2310157 65 177.0796 164.0445@7.2980003 7.2980003 19 164.0445 109.0013@7.314514 7.314514 37 109.0013 150.0282@7.312251 7.312251 32 150.0282 Otonecine + 7.3512187 7.3512187 C10356 143 202.1324 Otonecine [ C9 H15 N O3, mfg=46.96, db=92.09, overall=69.53, CAS ID=6887-34-9, KEGG ID=C10356, METLIN ID=68272 ] 6887-34-9 Isopentenyladenine 7.456568 C04083 144 203.1165 Isopentenyladenine [ C10 H13 N5, mfg=93.28, db=93.28, overall=93.28, KEGG ID=C04083, HMP ID=HMDB02313, METLIN ID=6612 ] 190.1326@7.4804335 7.4804335 30 190.1326 Butyl acrylate 7.472848 C10921 144 145.1105 Butyl acrylate [ C7 H12 O2, mfg=47.39, db=99.67, overall=73.53, CAS ID=141-32-2, KEGG ID=C10921, METLIN ID=68690 ] 141-32-2 128.0586@7.502083 7.502083 144 128.0586 C12 H24 N2 O6 7.5089827 129 292.164 [ C12 H24 N2 O6, mfg=96.46, overall=96.46 ] 142.0742@7.5431285 7.5431285 54 142.0742 (E)-2-Butenyl-4-methyl-threonine 7.549152 C12029 106 187.1213 (E)-2-Butenyl-4-methyl-threonine [ C9 H17 N O3, mfg=79.74, db=79.74, overall=79.74, CAS ID=81135-57-1, KEGG ID=C12029, METLIN ID=69263 ] 81135-57-1 203.1168@7.5660005 7.5660005 10 203.1168 216.1229@7.5642924 7.5642924 82 216.1229 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol 7.6141024 C13693 69 140.0588 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol [ C6 H8 N2 O2, mfg=81.31, db=81.30, overall=81.31, CAS ID=64603-91-4, KEGG ID=C13693, METLIN ID=69640 ] 64603-91-4 C13 H27 N S2 7.6284556 114 261.1583 [ C13 H27 N S2, mfg=82.87, overall=82.87 ] 175.0962@7.652539 7.652539 26 175.0962 158.0696@7.655928 7.655928 140 158.0696 C13 H25 N O S2 7.6460376 136 275.1374 [ C13 H25 N O S2, mfg=89.25, overall=89.25 ] 112.0998@7.655333 7.655333 15 112.0998 366.9842@7.7937417 7.7937417 66 366.9842 C7 H15 N O3 7.741369 144 161.1056 [ C7 H15 N O3, mfg=96.89, overall=96.89 ] C12 H17 N5 O 7.746547 124 247.1427 [ C12 H17 N5 O, mfg=90.16, overall=90.16 ] 1035.0059@7.7913904 7.7913904 141 1035.0059 690.0044@7.7998395 7.7998395 43 690.0044 784.9478@7.792468 7.792468 49 784.9478 345.0026@7.7931914 7.7931914 143 345.0026 691.0066@7.801409 7.801409 22 691.0066 707.0306@7.7961426 7.7961426 35 707.0306 1132.9688@7.7881246 7.7881246 64 1132.9688 347.0076@7.812125 7.812125 8 347.0076 235.9413@7.98825 7.98825 4 235.9413 5-(3-Pyridyl)-2-hydroxytetrahydrofuran 7.970375 C19578 64 165.0796 5-(3-Pyridyl)-2-hydroxytetrahydrofuran [ C9 H11 N O2, mfg=52.03, db=52.00, overall=52.01, CAS ID=53798-73-5, KEGG ID=C19578, METLIN ID=73241 ] 53798-73-5 L-isoleucyl-L-proline 8.123271 137 228.1479 L-isoleucyl-L-proline [ C11 H20 N2 O3, mfg=97.78, db=97.78, overall=97.78, HMP ID=HMDB11174, METLIN ID=62022 ] 228.148@8.234385 8.234385 39 228.148 (+)-trans-alpha-Irone 8.33416 C11350 143 228.148 (+)-trans-alpha-Irone [ C14 H22 O, mfg=45.58, db=96.00, overall=70.79, CAS ID=35124-14-2, KEGG ID=C11350, METLIN ID=69010 ] 35124-14-2 177.0796@8.362429 8.362429 7 177.0796 240.1482@8.420136 8.420136 89 240.1482 232.1696@8.51925 8.51925 4 232.1696 348.0106@8.5447235 8.5447235 137 348.0106 350.0067@8.568616 8.568616 39 350.0067 174.1121@8.686588 8.686588 117 174.1121 168.1373@8.924693 8.924693 39 168.1373 N1-Acetylspermidine 8.960598 C00612 75 187.1689 N1-Acetylspermidine [ C9 H21 N3 O, mfg=85.67, db=85.66, overall=85.66, CAS ID=14278-49-0, KEGG ID=C00612, HMP ID=HMDB01276, METLIN ID=3323 ] 14278-49-0 Tolmetin 9.02777 C07149 144 257.1034 Tolmetin [ C15 H15 N O3, mfg=76.50, db=76.48, overall=76.49, CAS ID=26171-23-3, KEGG ID=C07149, METLIN ID=2871 ] 26171-23-3 210.185@9.135434 9.135434 85 210.185 160.1578@9.195796 9.195796 132 160.1578 210.185@9.181268 9.181268 30 210.185 128.095@9.261115 9.261115 88 128.095 196.1693@9.415985 9.415985 128 196.1693 143.9996@13.408251 13.408251 4 143.9996 418.0804@0.726 0.726 2 418.0804 214.0636@0.7685 0.7685 4 214.0636 418.0799@0.7668 0.7668 5 418.0799 262.0737@0.80012506 0.80012506 8 262.0737 355.2387@0.8215 0.8215 2 355.2387 275.2831@0.8215 0.8215 2 275.2831 332.1637@0.827 0.827 1 332.1637 230.2252@0.828 0.828 1 230.2252 327.2085@0.828 0.828 2 327.2085 330.3132@0.837 0.837 1 330.3132 382.2394@0.8425 0.8425 2 382.2394 302.2825@0.8435 0.8435 2 302.2825 418.0798@0.837 0.837 2 418.0798 354.208@0.85150003 0.85150003 2 354.208 274.2514@0.851 0.851 3 274.2514 449.1302@0.86 0.86 2 449.1302 471.3228@0.879 0.879 2 471.3228 374.34@0.881 0.881 2 374.34 521.1891@0.88250005 0.88250005 2 521.1891 448.2466@0.884 0.884 1 448.2466 443.2918@0.8885 0.8885 2 443.2918 346.3083@0.89 0.89 2 346.3083 17beta-Methylestra-1,3,5(10)-trien-3-ol 0.8960509 C15020 59 270.199 17beta-Methylestra-1,3,5(10)-trien-3-ol [ C19 H26 O, mfg=66.03, db=65.94, overall=65.99, KEGG ID=C15020, METLIN ID=70515 ] 318.2775@0.8988 0.8988 5 318.2775 415.2606@0.8981667 0.8981667 6 415.2606 493.1569@0.901 0.901 2 493.1569 398.234@0.90199995 0.90199995 2 398.234 515.3487@0.937 0.937 2 515.3487 435.392@0.941 0.941 2 435.392 492.2728@0.945 0.945 2 492.2728 565.2148@0.9465 0.9465 2 565.2148 487.3133@0.9816 0.9816 5 487.3133 390.3348@0.95 0.95 2 390.3348 537.1827@0.959 0.959 2 537.1827 362.3033@0.959 0.959 2 362.3033 459.2869@0.95900005 0.95900005 7 459.2869 442.2604@0.96 0.96 2 442.2604 1137.7448@0.9992426 0.9992426 99 1137.7448 559.3747@1.0236667 1.0236667 3 559.3747 479.4187@1.0 1 2 479.4187 456.3432@1.1079999 1.1079999 3 456.3432 1074.2979@1.0055455 1.0055455 22 1074.2979 984.2413@1.0104285 1.0104285 35 984.2413 998.2818@1.0071 1.0071 20 998.2818 531.3439@1.0085 1.0085 2 531.3439 451.3874@1.0283333 1.0283333 3 451.3874 963.7601@1.0103078 1.0103078 13 963.7601 977.7557@1.0091903 1.0091903 21 977.7557 846.284@1.0157692 1.0157692 13 846.284 907.2443@1.0145 1.0145 6 907.2443 686.5631@1.0215001 1.0215001 22 686.5631 704.4947@1.0220587 1.0220587 17 704.4947 640.5061@1.0193892 1.0193892 72 640.5061 981.2601@1.0137693 1.0137693 26 981.2601 655.5177@1.0206124 1.0206124 67 655.5177 941.7451@1.0194944 1.0194944 89 941.7451 991.7601@1.0148696 1.0148696 23 991.7601 547.5037@1.0365 1.0365 4 547.5037 607.5173@1.0236872 1.0236872 102 607.5173 609.5341@1.0230621 1.0230621 64 609.5341 503.313@1.0223333 1.0223333 6 503.313 637.5633@1.023396 1.023396 53 637.5633 515.4852@1.023 1.023 1 515.4852 630.489@1.0682 1.0682 5 630.489 542.4672@1.0863924 1.0863924 51 542.4672 597.5305@1.024 1.024 1 597.5305 406.3298@1.0419999 1.0419999 3 406.3298 704.2046@1.0249686 1.0249686 124 704.2046 569.4372@1.034678 1.034678 59 569.4372 669.4614@1.0263813 1.0263813 84 669.4614 571.5133@1.026 1.026 1 571.5133 614.4913@1.0233477 1.0233477 46 614.4913 606.4851@1.0582501 1.0582501 4 606.4851 573.5333@1.026 1.026 2 573.5333 569.5029@1.0540714 1.0540714 14 569.5029 288.2431@1.0536667 1.0536667 3 288.2431 513.4307@1.0661668 1.0661668 12 513.4307 472.3918@1.0274999 1.0274999 2 472.3918 601.5499@1.028 1.028 1 601.5499 909.7421@1.0253501 1.0253501 60 909.7421 517.4646@1.0274999 1.0274999 2 517.4646 432.325@1.0466001 1.0466001 10 432.325 527.4797@1.031 1.031 1 527.4797 561.4831@1.0832858 1.0832858 14 561.4831 600.3459@1.0325 1.0325 2 600.3459 537.1404@1.0315928 1.0315928 91 537.1404 631.5708@1.0339999 1.0339999 2 631.5708 602.3048@1.033 1.033 2 602.3048 418.3087@1.034185 1.034185 81 418.3087 643.5741@1.034 1.034 1 643.5741 617.5577@1.0345 1.0345 2 617.5577 632.3147@1.0350001 1.0350001 2 632.3147 971.4744@1.0379679 1.0379679 121 971.4744 971.9767@1.0373976 1.0373976 83 971.9767 460.3557@1.059738 1.059738 42 460.3557 756.3416@1.0360395 1.0360395 102 756.3416 1290.1259@1.0381497 1.0381497 60 1290.1259 818.253@1.0368273 1.0368273 104 818.253 969.7718@1.0290385 1.0290385 26 969.7718 442.3815@1.039 1.039 1 442.3815 322.157@1.04 1.04 2 322.157 373.0923@1.0394349 1.0394349 23 373.0923 739.5981@1.041 1.041 2 739.5981 658.2802@1.0432857 1.0432857 28 658.2802 408.3753@1.0355 1.0355 2 408.3753 797.6532@1.039 1.039 3 797.6532 378.2309@1.04825 1.04825 4 378.2309 Coenzyme Q10 1.0474513 C11378 LMPR02010001 104 862.6847 Coenzyme Q10 [ C59 H90 O4, db=77.99, overall=77.99, CAS ID=303-98-0, Lipid ID=LMPR02010001, KEGG ID=C11378, METLIN ID=227 ] 303-98-0 462.4135@1.048 1.048 1 462.4135 249.0799@1.0465 1.0465 2 249.0799 361.2064@1.0725 1.0725 8 361.2064 565.5031@1.05 1.05 1 565.5031 166.0484@1.0487679 1.0487679 56 166.0484 C8 H4 O3 1.0476071 122 148.0163 [ C8 H4 O3, mfg=92.39, overall=92.39 ] 406.3602@1.051 1.051 1 406.3602 320.1987@1.0622916 1.0622916 24 320.1987 509.472@1.092 1.092 2 509.472 397.319@1.0573332 1.0573332 15 397.319 705.1685@1.0568125 1.0568125 32 705.1685 459.4059@1.056 1.056 1 459.4059 1191.7104@1.0565 1.0565 2 1191.7104 855.6824@1.0575 1.0575 2 855.6824 673.4611@1.0570353 1.0570353 84 673.4611 310.1576@1.0563333 1.0563333 3 310.1576 TG(18:2(9Z,12Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] 1.0583133 131 895.7626 TG(18:2(9Z,12Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6] [ C57 H98 O6, db=40.90, overall=40.90, HMP ID=HMDB10481, METLIN ID=61779 ] C20 H16 N4 1.0591359 66 312.1367 [ C20 H16 N4, mfg=83.68, overall=41.84 ] 476.3852@1.0763333 1.0763333 3 476.3852 1128.3077@1.0621613 1.0621613 31 1128.3077 C25 H48 O3 1.0718435 64 396.3591 [ C25 H48 O3, mfg=47.46, overall=47.46 ] 434.3735@1.0647289 1.0647289 59 434.3735 342.1477@1.0645008 1.0645008 96 342.1477 335.3176@1.1735677 1.1735677 74 335.3176 382.325@1.0728334 1.0728334 12 382.325 603.4029@1.0669999 1.0669999 2 603.4029 324.2558@1.081 1.081 11 324.2558 436.3881@1.0653113 1.0653113 61 436.3881 523.4442@1.09 1.09 3 523.4442 913.7128@1.0224545 1.0224545 11 913.7128 325.1928@1.0926666 1.0926666 3 325.1928 C34 H58 Cl O4 1.0708449 84 565.4043 [ C34 H58 Cl O4, mfg=47.62, overall=47.62 ] 541.2001@1.0725675 1.0725675 37 541.2001 977.5905@1.0734999 1.0734999 2 977.5905 314.1165@1.075304 1.075304 105 314.1165 495.4141@1.0755 1.0755 2 495.4141 575.3705@1.075 1.075 2 575.3705 558.1289@1.0774999 1.0774999 4 558.1289 845.747@1.0750695 1.0750695 129 845.747 306.2203@1.0881447 1.0881447 83 306.2203 897.7776@1.0802282 1.0802282 105 897.7776 317.1856@1.0804687 1.0804687 64 317.1856 178.1362@1.0805011 1.0805011 120 178.1362 500.3874@1.1126924 1.1126924 26 500.3874 430.0623@1.0791669 1.0791669 66 430.0623 226.1935@1.1111511 1.1111511 53 226.1935 94.0781@1.1055434 1.1055434 92 94.0781 290.2247@1.0855529 1.0855529 85 290.2247 666.1781@1.0804749 1.0804749 116 666.1781 164.1204@1.0904444 1.0904444 9 164.1204 266.224@1.0946125 1.0946125 80 266.224 531.347@1.082 1.082 1 531.347 394.3455@1.0800657 1.0800657 61 394.3455 467.3826@1.082 1.082 1 467.3826 152.1202@1.0854418 1.0854418 43 152.1202 547.339@1.0825 1.0825 4 547.339 949.8041@1.087544 1.087544 57 949.8041 122.1096@1.1030998 1.1030998 20 122.1096 352.2622@1.1079091 1.1079091 11 352.2622 327.2754@1.0874 1.0874 5 327.2754 432.3231@1.0843138 1.0843138 51 432.3231 1105.6385@1.0835 1.0835 2 1105.6385 509.4078@1.0950953 1.0950953 21 509.4078 C34 H65 Cl S 1.0986303 100 540.4397 [ C34 H65 Cl S, mfg=57.40, overall=57.40 ] 923.791@1.0860801 1.0860801 87 923.791 622.5132@1.0896102 1.0896102 59 622.5132 8Z,11Z,14Z-heptadecatrienoic acid 1.094398 C16344 113 264.2098 8Z,11Z,14Z-heptadecatrienoic acid [ C17 H28 O2, mfg=61.86, db=17.35, overall=39.61, KEGG ID=C16344, METLIN ID=35345 ] 466.0826@1.0902258 1.0902258 31 466.0826 234.1973@1.1026001 1.1026001 5 234.1973 530.4333@1.0962025 1.0962025 79 530.4333 577.4794@1.0978001 1.0978001 10 577.4794 526.4478@1.08 1.08 3 526.4478 314.2463@1.0985945 1.0985945 133 314.2463 518.3971@1.1002539 1.1002539 122 518.3971 464.3518@1.0948637 1.0948637 22 464.3518 627.5077@1.0961375 1.0961375 80 627.5077 124.1256@1.0921668 1.0921668 48 124.1256 597.505@1.0860002 1.0860002 21 597.505 570.483@1.0946665 1.0946665 57 570.483 291.1689@1.0963703 1.0963703 73 291.1689 763.4737@1.0965 1.0965 2 763.4737 483.3922@1.1026363 1.1026363 11 483.3922 518.122@1.0977 1.0977 10 518.122 276.2092@1.1025324 1.1025324 62 276.2092 670.3511@1.1008728 1.1008728 134 670.3511 118.078@1.1020555 1.1020555 36 118.078 385.2037@1.0980779 1.0980779 64 385.2037 356.0434@1.1006727 1.1006727 55 356.0434 874.7818@1.10235 1.10235 20 874.7818 396.1945@1.0992035 1.0992035 59 396.1945 280.1322@1.1033521 1.1033521 71 280.1322 312.2303@1.1090914 1.1090914 88 312.2303 900.796@1.1037029 1.1037029 37 900.796 673.4779@1.1055713 1.1055713 21 673.4779 503.3142@1.1075 1.1075 6 503.3142 977.8066@1.1050603 1.1050603 99 977.8066 746.5854@1.0989999 1.0989999 23 746.5854 592.4715@1.1092539 1.1092539 63 592.4715 891.5174@1.108 1.108 2 891.5174 351.3118@1.1471666 1.1471666 12 351.3118 647.4294@1.109 1.109 2 647.4294 567.4667@1.077 1.077 4 567.4667 780.4993@1.1108645 1.1108645 118 780.4993 727.5986@1.1150265 1.1150265 38 727.5986 431.2317@1.1234164 1.1234164 24 431.2317 787.6004@1.11175 1.11175 4 787.6004 437.3387@1.111 1.111 2 437.3387 444.363@1.114 1.114 1 444.363 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0) 1.1154333 99 718.5542 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0) [ C47 H74 O5, mfg=88.78, db=88.84, overall=88.81, HMP ID=HMDB07756, METLIN ID=59219 ] 136.089@1.1094445 1.1094445 18 136.089 334.2124@1.1306365 1.1306365 44 334.2124 645.4366@1.117 1.117 1 645.4366 590.4542@1.119 1.119 10 590.4542 339.2785@1.141625 1.141625 8 339.2785 288.266@1.1213647 1.1213647 99 288.266 564.4403@1.1212901 1.1212901 62 564.4403 538.4236@1.1305417 1.1305417 24 538.4236 178.1343@1.1546667 1.1546667 12 178.1343 Ceramide (d18:1/24:1(15Z)) 1.1225659 C00195 92 647.6214 Ceramide (d18:1/24:1(15Z)) [ C42 H81 N O3, mfg=70.97, db=70.95, overall=70.96, CAS ID=104404-17-3, KEGG ID=C00195, HMP ID=HMDB04953, METLIN ID=7206 ] 104404-17-3 423.3541@1.1451818 1.1451818 11 423.3541 476.3805@1.1288 1.1288 5 476.3805 755.6154@1.1237 1.1237 40 755.6154 769.4983@1.1297342 1.1297342 79 769.4983 606.4523@1.1202501 1.1202501 32 606.4523 377.314@1.0879999 1.0879999 3 377.314 547.3398@1.1265 1.1265 2 547.3398 448.3551@1.1022973 1.1022973 74 448.3551 548.4421@1.1320001 1.1320001 4 548.4421 539.4394@1.1132 1.1132 5 539.4394 260.235@1.1314948 1.1314948 105 260.235 253.206@1.1539056 1.1539056 53 253.206 629.5211@1.1307307 1.1307307 26 629.5211 619.3988@1.13 1.13 2 619.3988 419.3974@1.13125 1.13125 4 419.3974 536.4085@1.1326269 1.1326269 59 536.4085 279.227@1.133 1.133 2 279.227 480.3476@1.1522309 1.1522309 26 480.3476 538.4239@1.1349647 1.1349647 84 538.4239 C29 H58 O S2 1.1370162 125 486.3925 [ C29 H58 O S2, mfg=72.12, overall=72.12 ] Debneyol 1.1343768 C09653 77 238.1936 Debneyol [ C15 H26 O2, db=33.96, overall=33.96, CAS ID=99694-82-3, KEGG ID=C09653, METLIN ID=67861 ] 99694-82-3 902.8134@1.175258 1.175258 31 902.8134 168.1528@1.140158 1.140158 19 168.1528 208.1472@1.1401229 1.1401229 122 208.1472 422.3372@1.0962127 1.0962127 47 422.3372 168.1152@1.1139678 1.1139678 31 168.1152 391.367@1.1371667 1.1371667 6 391.367 70.0795@1.1404736 1.1404736 19 70.0795 197.1785@1.1457105 1.1457105 38 197.1785 291.183@1.142 1.142 2 291.183 106.0633@1.2182789 1.2182789 43 106.0633 484.3781@1.15058 1.15058 50 484.3781 677.399@1.142 1.142 2 677.399 82.0789@1.1363482 1.1363482 89 82.0789 208.1785@1.1281999 1.1281999 15 208.1785 216.1007@1.1485755 1.1485755 73 216.1007 346.3076@1.1473044 1.1473044 23 346.3076 580.2326@1.1586334 1.1586334 120 580.2326 232.2038@1.1495736 1.1495736 89 232.2038 294.1105@1.1490477 1.1490477 127 294.1105 475.2417@1.1551665 1.1551665 48 475.2417 121.0911@1.154 1.154 1 121.0911 485.2604@1.1567094 1.1567094 62 485.2604 356.2923@1.1525447 1.1525447 99 356.2923 464.3506@1.1793846 1.1793846 13 464.3506 406.2728@1.1603531 1.1603531 17 406.2728 248.1979@1.1639596 1.1639596 97 248.1979 191.1316@1.1620008 1.1620008 94 191.1316 171.1263@1.1709766 1.1709766 43 171.1263 169.1107@1.1711599 1.1711599 81 169.1107 C21 H39 N2 O 1.160197 66 335.3098 [ C21 H39 N2 O, mfg=71.90, overall=71.90 ] 224.1412@1.1765001 1.1765001 8 224.1412 430.1987@1.1742858 1.1742858 21 430.1987 205.1322@1.1776955 1.1776955 46 205.1322 567.4823@1.0936 1.0936 20 567.4823 98.0733@1.1686816 1.1686816 22 98.0733 849.7712@1.1596923 1.1596923 13 849.7712 232.1686@1.1788106 1.1788106 132 232.1686 591.3655@1.178 1.178 1 591.3655 591.4803@1.179 1.179 1 591.4803 511.4186@1.1389656 1.1389656 58 511.4186 293.2515@1.1864287 1.1864287 14 293.2515 140.1208@1.16775 1.16775 40 140.1208 435.3925@1.1808335 1.1808335 6 435.3925 290.2102@1.1892103 1.1892103 124 290.2102 619.3966@1.198 1.198 2 619.3966 352.2261@1.2041667 1.2041667 6 352.2261 539.4395@1.1737499 1.1737499 4 539.4395 390.3347@1.2008001 1.2008001 10 390.3347 288.2304@1.2063873 1.2063873 31 288.2304 182.1309@1.1970003 1.1970003 58 182.1309 217.1322@1.2069074 1.2069074 54 217.1322 583.2568@1.1563913 1.1563913 23 583.2568 300.1116@1.2143387 1.2143387 121 300.1116 C13 H15 N8 S 1.2127453 51 315.1121 [ C13 H15 N8 S, mfg=76.16, overall=76.16 ] C24 H42 S 1.2146384 119 362.3035 [ C24 H42 S, mfg=81.90, overall=81.90 ] 385.3554@1.218 1.218 2 385.3554 168.1155@1.2401142 1.2401142 35 168.1155 327.3131@1.2193847 1.2193847 26 327.3131 366.3108@1.0995 1.0995 16 366.3108 591.3652@1.221 1.221 2 591.3652 443.3952@1.0948334 1.0948334 12 443.3952 9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R] 1.228979 C14795 95 328.2258 9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R] [ C18 H32 O5, mfg=46.86, db=56.90, overall=51.88, KEGG ID=C14795, METLIN ID=36203 ] 191.0962@1.23 1.23 1 191.0962 357.3246@1.234 1.234 2 357.3246 Sphingosine 1.2328029 C00319 LMSP01010001 101 299.2823 Sphingosine [ C18 H37 N O2, mfg=62.02, db=61.93, overall=61.97, CAS ID=123-78-4, Lipid ID=LMSP01010001, KEGG ID=C00319, HMP ID=HMDB00252, METLIN ID=392 ] 123-78-4 432.3452@1.2335004 1.2335004 116 432.3452 507.4515@1.1805 1.1805 6 507.4515 426.2985@1.2421817 1.2421817 22 426.2985 196.0141@1.244 1.244 4 196.0141 320.2524@1.2438421 1.2438421 19 320.2524 479.4196@1.245 1.245 5 479.4196 291.2197@1.2441568 1.2441568 83 291.2197 404.3134@1.2495999 1.2495999 10 404.3134 329.2931@1.252 1.252 2 329.2931 583.2513@1.2545713 1.2545713 7 583.2513 203.1181@1.2143999 1.2143999 5 203.1181 387.3384@1.1145384 1.1145384 13 387.3384 C12 H16 N O 1.2601649 116 190.1211 [ C12 H16 N O, mfg=47.05, overall=47.05 ] 362.2097@1.2613506 1.2613506 137 362.2097 406.33@1.2593333 1.2593333 3 406.33 254.1877@1.2588948 1.2588948 19 254.1877 295.2512@1.2691666 1.2691666 6 295.2512 239.1892@1.267 1.267 1 239.1892 301.263@1.085141 1.085141 64 301.263 243.2203@1.26825 1.26825 4 243.2203 611.5119@1.1583333 1.1583333 6 611.5119 178.0862@1.2715 1.2715 4 178.0862 691.4553@1.271 1.271 2 691.4553 166.1104@1.276 1.276 22 166.1104 663.4239@1.292 1.292 2 663.4239 551.4759@1.2056 1.2056 5 551.4759 635.3914@1.3165 1.3165 2 635.3914 180.0556@1.3269999 1.3269999 23 180.0556 192.1369@1.336722 1.336722 18 192.1369 171.1259@1.341 1.341 1 171.1259 206.1522@1.337875 1.337875 8 206.1522 206.114@1.355 1.355 1 206.114 551.4761@1.3635 1.3635 2 551.4761 735.4814@1.3785 1.3785 2 735.4814 272.1643@1.3786364 1.3786364 22 272.1643 655.5241@1.38 1.38 2 655.5241 707.45@1.403 1.403 2 707.45 627.4923@1.4024999 1.4024999 2 627.4923 C18 H49 N11 O S 1.4100477 126 467.3825 [ C18 H49 N11 O S, mfg=66.16, overall=66.16 ] 599.4613@1.428 1.428 3 599.4613 679.4179@1.4289999 1.4289999 3 679.4179 Carbaryl 1.4388082 C07491 83 201.0799 Carbaryl [ C12 H11 N O2, mfg=67.09, db=67.07, overall=67.08, CAS ID=63-25-2, KEGG ID=C07491, METLIN ID=1496 ] 63-25-2 595.502@1.4660001 1.4660001 2 595.502 567.4705@1.4973334 1.4973334 6 567.4705 671.5198@1.495 1.495 2 671.5198 751.4748@1.495 1.495 2 751.4748 539.4399@1.5148461 1.5148461 13 539.4399 C33 H42 O7 S2 1.5060612 131 614.237 [ C33 H42 O7 S2, mfg=87.19, overall=43.59 ] 209.1078@1.6348238 1.6348238 17 209.1078 232.1793@1.5292397 1.5292397 75 232.1793 643.4869@1.537 1.537 2 643.4869 723.4437@1.538 1.538 2 723.4437 C7 H9 N O9 1.568592 71 251.0272 [ C7 H9 N O9, mfg=98.28, overall=98.28 ] 170.1309@1.5593401 1.5593401 47 170.1309 639.5292@1.5630001 1.5630001 3 639.5292 569.4509@1.5966794 1.5966794 78 569.4509 466.0037@1.5702378 1.5702378 63 466.0037 366.0788@1.5679239 1.5679239 105 366.0788 205.0218@1.5686777 1.5686777 93 205.0218 644.0419@1.5680385 1.5680385 26 644.0419 166.0132@1.569169 1.569169 101 166.0132 C31 H17 O2 1.5733427 67 421.1235 [ C31 H17 O2, mfg=78.39, overall=78.39 ] 282.9647@1.5709242 1.5709242 118 282.9647 690.0464@1.5722729 1.5722729 99 690.0464 412.0844@1.5746608 1.5746608 121 412.0844 611.4982@1.5911429 1.5911429 7 611.4982 229.0452@1.6014445 1.6014445 9 229.0452 583.4651@1.6050911 1.6050911 11 583.4651 128.0296@1.6323912 1.6323912 23 128.0296 366.0784@1.64 1.64 1 366.0784 555.4347@1.6561061 1.6561061 75 555.4347 683.5542@1.6895001 1.6895001 2 683.5542 250.1235@1.7114502 1.7114502 20 250.1235 795.5022@1.712 1.712 2 795.5022 715.5448@1.7125001 1.7125001 2 715.5448 655.5242@1.726 1.726 4 655.5242 138.043@1.7416135 1.7416135 44 138.043 138.0184@1.775846 1.775846 26 138.0184 767.4707@1.7985001 1.7985001 2 767.4707 687.5143@1.8025 1.8025 2 687.5143 599.4603@1.8234376 1.8234376 32 599.4603 188.0412@1.8453335 1.8453335 3 188.0412 657.5026@1.8921765 1.8921765 17 657.5026 727.58@1.87 1.87 2 727.58 117.0788@1.8685172 1.8685172 58 117.0788 671.5192@1.9812499 1.9812499 4 671.5192 643.4867@2.0496922 2.0496922 13 643.4867 839.5244@2.062 2.062 2 839.5244 771.6065@2.1005 2.1005 2 771.6065 141.0174@2.1323593 2.1323593 39 141.0174 245.9008@2.1602223 2.1602223 45 245.9008 811.4965@2.1605 2.1605 2 811.4965 743.5764@2.1593332 2.1593332 3 743.5764 208.049@2.2945185 2.2945185 27 208.049 708.0663@2.3845556 2.3845556 9 708.0663 243.9038@2.4746442 2.4746442 90 243.9038 228.8746@2.4777203 2.4777203 25 228.8746 138.0171@2.463 2.463 1 138.0171 140.0335@2.4902925 2.4902925 41 140.0335 141.017@2.48624 2.48624 25 141.017 183.0402@2.4834487 2.4834487 107 183.0402 282.0968@2.5714002 2.5714002 10 282.0968 506.157@2.7259998 2.7259998 4 506.157 859.6585@2.76925 2.76925 4 859.6585 386.1432@2.8420005 2.8420005 47 386.1432 96.0217@2.8157337 2.8157337 30 96.0217 126.0319@2.829316 2.829316 38 126.0319 179.0799@2.8113666 2.8113666 30 179.0799 202.046@2.8070886 2.8070886 79 202.046 245.057@2.881737 2.881737 19 245.057 179.0799@2.8598568 2.8598568 28 179.0799 387.1448@2.9121666 2.9121666 6 387.1448 358.3089@2.871393 2.871393 28 358.3089 202.046@2.8558419 2.8558419 19 202.046 831.6272@2.8595715 2.8595715 7 831.6272 862.6199@2.871766 2.871766 47 862.6199 859.6038@2.8745685 2.8745685 125 859.6038 220.0955@2.8711455 2.8711455 48 220.0955 96.0218@2.8802917 2.8802917 24 96.0218 184.0742@2.8906891 2.8906891 29 184.0742 410.0462@2.8813572 2.8813572 42 410.0462 202.046@2.9351466 2.9351466 34 202.046 220.0954@2.9154444 2.9154444 18 220.0954 418.08@2.8507142 2.8507142 7 418.08 418.3098@2.953 2.953 2 418.3098 179.0799@2.9536502 2.9536502 40 179.0799 597.0935@2.8620923 2.8620923 54 597.0935 96.0217@2.9551558 2.9551558 64 96.0217 202.046@2.9607382 2.9607382 65 202.046 C8 H19 N O5 S 2.9393284 76 241.0977 [ C8 H19 N O5 S, mfg=91.86, overall=91.86 ] 179.0799@2.984 2.984 2 179.0799 418.081@2.984 2.984 1 418.081 223.087@2.9665554 2.9665554 36 223.087 875.6544@3.1980002 3.1980002 10 875.6544 440.3228@3.234 3.234 1 440.3228 297.1078@3.2405198 3.2405198 25 297.1078 947.7086@3.422 3.422 6 947.7086 305.2358@3.4575 3.4575 18 305.2358 493.5587@3.6231031 3.6231031 39 493.5587 535.6056@3.6200204 3.6200204 49 535.6056 577.653@3.6501026 3.6501026 119 577.653 C23 H35 N2 O S 3.6540766 118 387.2472 [ C23 H35 N2 O S, mfg=85.49, overall=85.49 ] 661.6005@3.6585 3.6585 2 661.6005 504.8859@3.6586668 3.6586668 6 504.8859 504.3837@3.6602569 3.6602569 39 504.3837 991.7378@3.6601427 3.6601427 7 991.7378 132.0246@3.67 3.67 4 132.0246 635.5856@3.6753333 3.6753333 3 635.5856 283.3242@3.7018323 3.7018323 83 283.3242 359.3554@3.8013484 3.8013484 23 359.3554 387.3861@3.820917 3.820917 12 387.3861 331.3241@3.8421052 3.8421052 57 331.3241 222.0865@3.8684 3.8684 5 222.0865 526.8971@3.8778331 3.8778331 18 526.8971 371.34@3.9941838 3.9941838 65 371.34 367.4178@4.004434 4.004434 106 367.4178 257.2725@4.036 4.036 1 257.2725 218.1676@4.0461507 4.0461507 33 218.1676 285.3033@4.04 4.04 1 285.3033 229.2412@4.109 4.109 2 229.2412 512.3807@4.1531997 4.1531997 5 512.3807 327.3135@4.143 4.143 1 327.3135 202.1323@4.151139 4.151139 72 202.1323 173.1419@4.1616435 4.1616435 28 173.1419 342.3001@4.18475 4.18475 4 342.3001 234.9666@4.200719 4.200719 32 234.9666 371.3402@4.242182 4.242182 22 371.3402 143.1673@4.261722 4.261722 18 143.1673 429.3821@4.2751865 4.2751865 102 429.3821 114.0622@4.275 4.275 1 114.0622 401.3509@4.3168516 4.3168516 81 401.3509 173.142@4.4705386 4.4705386 13 173.142 368.3768@4.497385 4.497385 26 368.3768 340.3456@4.542 4.542 2 340.3456 131.0945@4.5664487 4.5664487 109 131.0945 771.5166@4.5862584 4.5862584 31 771.5166 769.5031@4.5846667 4.5846667 15 769.5031 724.5234@4.614714 4.614714 7 724.5234 362.1438@4.9000998 4.9000998 10 362.1438 372.2263@4.8191667 4.8191667 18 372.2263 149.0974@4.9444447 4.9444447 63 149.0974 666.9739@4.9715 4.9715 8 666.9739 438.3821@4.9960003 4.9960003 2 438.3821 703.0035@5.0413923 5.0413923 56 703.0035 725.0156@5.1305 5.1305 42 725.0156 746.5266@5.1974998 5.1974998 4 746.5266 161.1228@5.1713495 5.1713495 115 161.1228 746.5273@5.2180963 5.2180963 114 746.5273 C34 H58 N19 5.2371383 58 732.5115 [ C34 H58 N19, mfg=70.37, overall=70.37 ] 651.4023@5.248211 5.248211 19 651.4023 426.3817@5.2445 5.2445 2 426.3817 424.3664@5.2465 5.2465 2 424.3664 768.552@5.299478 5.299478 23 768.552 803.5469@5.2642 5.2642 55 803.5469 398.3512@5.3095455 5.3095455 11 398.3512 456.4037@5.308 5.308 3 456.4037 865.6291@5.3537188 5.3537188 64 865.6291 765.5665@5.3293567 5.3293567 28 765.5665 888.5201@5.3608212 5.3608212 39 888.5201 868.6487@5.4149547 5.4149547 22 868.6487 342.2882@5.3886666 5.3886666 18 342.2882 408.2752@5.386 5.386 2 408.2752 428.3729@5.3867145 5.3867145 7 428.3729 741.5667@5.4287004 5.4287004 30 741.5667 791.5808@5.366161 5.366161 31 791.5808 781.5625@5.450833 5.450833 6 781.5625 871.5332@5.393 5.393 22 871.5332 729.5312@5.461655 5.461655 29 729.5312 768.5846@5.4603157 5.4603157 19 768.5846 C44 H75 Cl2 N4 5.4884663 131 729.5307 [ C44 H75 Cl2 N4, mfg=70.32, overall=35.16 ] 803.5444@5.4120307 5.4120307 32 803.5444 842.6326@5.4365325 5.4365325 30 842.6326 952.5534@5.468847 5.468847 26 952.5534 380.244@5.491 5.491 2 380.244 400.3416@5.4898567 5.4898567 7 400.3416 841.629@5.46584 5.46584 25 841.629 798.5886@5.642187 5.642187 16 798.5886 C24 H39 N5 5.6000147 66 397.3196 [ C24 H39 N5, mfg=78.04, overall=78.04 ] 304.1904@5.60407 5.60407 114 304.1904 187.0639@5.6070557 5.6070557 73 187.0639 755.5469@5.531571 5.531571 14 755.5469 771.5791@5.5493064 5.5493064 88 771.5791 C22 H35 N5 5.707818 77 369.2884 [ C22 H35 N5, mfg=79.60, overall=79.60 ] 792.5646@5.712533 5.712533 64 792.5646 805.56@5.652 5.652 3 805.56 819.5767@5.7116995 5.7116995 10 819.5767 793.5607@5.7063336 5.7063336 15 793.5607 831.5748@5.7139764 5.7139764 78 831.5748 435.7665@5.7203994 5.7203994 15 435.7665 861.5487@5.715569 5.715569 120 861.5487 511.9102@5.7194037 5.7194037 47 511.9102 781.0544@5.7144303 5.7144303 142 781.0544 380.291@5.7190003 5.7190003 17 380.291 1245.7548@5.713421 5.713421 93 1245.7548 817.6026@5.6900244 5.6900244 40 817.6026 765.561@5.7174935 5.7174935 67 765.561 1005.613@5.7303452 5.7303452 29 1005.613 435.2595@5.717194 5.717194 36 435.2595 1007.6291@5.7330556 5.7330556 36 1007.6291 93.0577@5.741551 5.741551 40 93.0577 371.3036@5.745773 5.745773 22 371.3036 205.8792@5.7883883 5.7883883 54 205.8792 C21 H37 N O4 5.810776 85 367.2726 [ C21 H37 N O4, mfg=80.64, overall=80.64 ] 883.4958@5.8069997 5.8069997 5 883.4958 881.4928@5.7922497 5.7922497 8 881.4928 863.5055@5.847244 5.847244 82 863.5055 355.2725@5.9018927 5.9018927 56 355.2725 823.5487@5.957423 5.957423 26 823.5487 181.0746@6.0584583 6.0584583 72 181.0746 875.5618@6.063409 6.063409 93 875.5618 223.1216@6.0749764 6.0749764 41 223.1216 141.0801@6.0902224 6.0902224 9 141.0801 353.9249@6.096601 6.096601 25 353.9249 301.2258@6.1478267 6.1478267 23 301.2258 301.2258@6.213513 6.213513 39 301.2258 759.5776@6.228688 6.228688 32 759.5776 102.0794@6.143 6.143 2 102.0794 807.5752@6.2366 6.2366 110 807.5752 744.5859@6.2217503 6.2217503 8 744.5859 340.1736@6.255769 6.255769 13 340.1736 299.2101@6.2624288 6.2624288 7 299.2101 311.2099@6.2815394 6.2815394 110 311.2099 299.2099@6.294143 6.294143 7 299.2099 145.0853@6.321812 6.321812 64 145.0853 309.1945@6.33 6.33 1 309.1945 672.5208@6.4504414 6.4504414 77 672.5208 145.0742@6.503369 6.503369 87 145.0742 532.3338@6.5166087 6.5166087 23 532.3338 150.1372@6.546904 6.546904 21 150.1372 722.5322@6.5488687 6.5488687 61 722.5322 159.0275@6.5527434 6.5527434 51 159.0275 C7 H5 O4 6.552626 51 153.0193 [ C7 H5 O4, mfg=68.54, overall=34.27 ] 572.3678@6.563 6.563 1 572.3678 581.2887@6.627547 6.627547 84 581.2887 537.3796@6.622106 6.622106 57 537.3796 665.2389@6.623175 6.623175 40 665.2389 621.3105@6.626143 6.626143 21 621.3105 583.3016@6.63 6.63 1 583.3016 554.3472@6.631581 6.631581 50 554.3472 535.3632@6.6316786 6.6316786 31 535.3632 643.2556@6.644002 6.644002 61 643.2556 533.348@6.645334 6.645334 3 533.348 563.3003@6.647513 6.647513 35 563.3003 318.1598@6.655125 6.655125 97 318.1598 1045.7155@6.649 6.649 2 1045.7155 758.2608@6.657588 6.657588 34 758.2608 1019.5261@6.657708 6.657708 58 1019.5261 815.3673@6.660091 6.660091 11 815.3673 617.2311@6.663312 6.663312 51 617.2311 341.1631@6.663076 6.663076 39 341.1631 522.0866@6.665 6.665 1 522.0866 1357.5568@6.6857653 6.6857653 98 1357.5568 1436.2561@6.685804 6.685804 56 1436.2561 1522.937@6.682667 6.682667 3 1522.937 529.1163@6.6786284 6.6786284 62 529.1163 1198.1573@6.685231 6.685231 121 1198.1573 1443.9146@6.685964 6.685964 79 1443.9146 1278.1917@6.6858373 6.6858373 98 1278.1917 1285.184@6.6856523 6.6856523 103 1285.184 1212.4785@6.6866665 6.6866665 63 1212.4785 1559.6344@6.686286 6.686286 21 1559.6344 1429.2618@6.6864443 6.6864443 27 1429.2618 1450.5804@6.687762 6.687762 21 1450.5804 1443.5823@6.6856985 6.6856985 76 1443.5823 1516.2896@6.68537 6.68537 27 1516.2896 1349.8934@6.6855545 6.6855545 47 1349.8934 1284.5175@6.6858745 6.6858745 16 1284.5175 1364.2198@6.686203 6.686203 69 1364.2198 1205.82@6.685259 6.685259 97 1205.82 738.278@6.6906004 6.6906004 10 738.278 325.1675@6.715433 6.715433 30 325.1675 353.163@6.697245 6.697245 49 353.163 1051.4435@6.7107816 6.7107816 64 1051.4435 369.159@6.722743 6.722743 117 369.159 282.1367@6.7174435 6.7174435 36 282.1367 1015.4922@6.721733 6.721733 30 1015.4922 D-Proline + 6.721675 6.721675 C00763 101 115.0634 D-Proline [ C5 H9 N O2, mfg=85.57, db=85.57, overall=85.57, CAS ID=344-25-2, KEGG ID=C00763, HMP ID=HMDB03411, METLIN ID=58150 ] 344-25-2 1012.643@6.7264285 6.7264285 7 1012.643 265.1323@6.740857 6.740857 28 265.1323 131.0588@6.7421837 6.7421837 114 131.0588 296.1522@6.792 6.792 3 296.1522 302.1847@6.8307114 6.8307114 66 302.1847 186.1368@6.853 6.853 1 186.1368 L-Isoleucine 6.981257 C00407 LMFA01100047 62 131.0945 L-Isoleucine [ C6 H13 N O2, mfg=85.90, db=85.90, overall=85.90, CAS ID=73-32-5, Lipid ID=LMFA01100047, KEGG ID=C00407, HMP ID=HMDB00172, METLIN ID=23 ] 73-32-5 130.0743@7.053029 7.053029 69 130.0743 552.0433@7.073 7.073 1 552.0433 494.127@7.101035 7.101035 90 494.127 137.0476@7.107454 7.107454 22 137.0476 130.0478@7.1324997 7.1324997 6 130.0478 144.0903@7.217361 7.217361 58 144.0903 177.9979@7.2602315 7.2602315 13 177.9979 171.1263@7.32566 7.32566 50 171.1263 289.1529@7.450208 7.450208 72 289.1529 175.1213@7.5218573 7.5218573 28 175.1213 235.9409@7.6825647 7.6825647 46 235.9409 239.083@7.7358565 7.7358565 7 239.083 162.16@7.7392216 7.7392216 9 162.16 464.9522@7.7519336 7.7519336 15 464.9522 711.9857@7.7705936 7.7705936 37 711.9857 785.6403@7.8005714 7.8005714 7 785.6403 810.6606@7.7988963 7.7988963 38 810.6606 366.984@7.7902856 7.7902856 7 366.984 786.9486@7.801 7.801 51 786.9486 708.034@7.796285 7.796285 7 708.034 343.007@7.791516 7.791516 128 343.007 1056.9872@7.804545 7.804545 33 1056.9872 812.6755@7.8102813 7.8102813 32 812.6755 482.9752@7.7976723 7.7976723 49 482.9752 711.9857@7.8375096 7.8375096 55 711.9857 482.9747@7.8615723 7.8615723 14 482.9747 366.9842@7.8654995 7.8654995 22 366.9842 261.1217@7.9809995 7.9809995 31 261.1217 161.1056@8.147805 8.147805 41 161.1056 131.0946@8.252 8.252 9 131.0946 143.0948@8.259687 8.259687 16 143.0948 143.0949@8.311069 8.311069 44 143.0949 216.0755@8.551169 8.551169 41 216.0755 200.1167@8.508601 8.508601 30 200.1167 348.0106@8.594001 8.594001 23 348.0106 174.1121@8.661111 8.661111 18 174.1121 ADMA 8.893794 C03626 97 202.1436 ADMA [ C8 H18 N4 O2, mfg=84.33, db=84.32, overall=84.32, CAS ID=30344-00-4, KEGG ID=C03626, HMP ID=HMDB03334, METLIN ID=6891 ] 30344-00-4 197.1171@8.958131 8.958131 61 197.1171 182.1536@9.650049 9.650049 122 182.1536 176.1529@10.214949 10.214949 122 176.1529 131.037@0.80004996 0.80004996 20 131.037 1189.7776@0.9971999 0.9971999 10 1189.7776 1207.7863@0.99915385 0.99915385 13 1207.7863 957.7422@1.0067272 1.0067272 11 957.7422 962.7598@1.001 1.001 2 962.7598 988.7739@1.003 1.003 1 988.7739 1015.788@1.003 1.003 1 1015.788 1003.77@1.003 1.003 4 1003.77 983.7481@1.0034001 1.0034001 5 983.7481 999.7374@1.004 1.004 1 999.7374 1009.7593@1.004 1.004 3 1009.7593 916.7168@1.005 1.005 1 916.7168 1148.3142@1.0048845 1.0048845 26 1148.3142 995.7766@1.0065 1.0065 2 995.7766 946.7653@1.0065 1.0065 2 946.7653 923.7218@1.0083334 1.0083334 15 923.7218 1057.2692@1.0106428 1.0106428 56 1057.2692 1296.351@1.0104166 1.0104166 24 1296.351 998.7915@1.011 1.011 1 998.7915 876.7195@1.0574499 1.0574499 60 876.7195 792.6311@1.012 1.012 1 792.6311 864.701@1.0144999 1.0144999 2 864.701 979.7675@1.0092 1.0092 5 979.7675 920.7495@1.013 1.013 1 920.7495 974.7787@1.013 1.013 1 974.7787 911.2269@1.0121905 1.0121905 21 911.2269 820.6587@1.0175 1.0175 2 820.6587 877.7346@1.0297779 1.0297779 9 877.7346 784.624@1.015 1.015 1 784.624 810.6419@1.015 1.015 1 810.6419 908.2481@1.0166748 1.0166748 80 908.2481 838.6777@1.016 1.016 1 838.6777 831.6939@1.0193332 1.0193332 3 831.6939 813.6786@1.0219474 1.0219474 57 813.6786 822.6706@1.0266666 1.0266666 3 822.6706 892.7209@1.017 1.017 2 892.7209 763.1892@1.0182145 1.0182145 56 763.1892 796.6538@1.018 1.018 1 796.6538 787.6607@1.0213636 1.0213636 33 787.6607 857.7106@1.0188333 1.0188333 6 857.7106 757.6125@1.017 1.017 2 757.6125 775.6324@1.019 1.019 1 775.6324 765.6317@1.0185001 1.0185001 2 765.6317 1367.3754@1.0188422 1.0188422 38 1367.3754 850.7063@1.0289999 1.0289999 6 850.7063 806.6714@1.02 1.02 1 806.6714 955.7809@1.0160002 1.0160002 6 955.7809 905.7669@1.0312222 1.0312222 9 905.7669 657.5334@1.0196003 1.0196003 25 657.5334 779.6304@1.0239999 1.0239999 5 779.6304 714.5979@1.0339999 1.0339999 2 714.5979 1378.1719@1.023 1.023 1 1378.1719 633.5324@1.0218123 1.0218123 48 633.5324 827.7066@1.02625 1.02625 4 827.7066 450.4227@1.0235 1.0235 2 450.4227 384.3385@1.024 1.024 1 384.3385 490.4543@1.06 1.06 3 490.4543 602.5267@1.0205714 1.0205714 28 602.5267 744.5981@1.025 1.025 1 744.5981 364.313@1.02725 1.02725 4 364.313 562.4741@1.0255 1.0255 2 562.4741 572.4772@1.026 1.026 1 572.4772 862.7443@1.0288 1.0288 5 862.7443 662.5655@1.0233549 1.0233549 31 662.5655 727.5764@1.025 1.025 3 727.5764 677.5611@1.0295 1.0295 2 677.5611 725.628@1.0274999 1.0274999 2 725.628 578.4679@1.0304999 1.0304999 2 578.4679 548.4659@1.0275 1.0275 2 548.4659 738.6001@1.0295 1.0295 2 738.6001 614.1558@1.0260572 1.0260572 35 614.1558 1362.1772@1.0285001 1.0285001 2 1362.1772 616.5072@1.0223097 1.0223097 42 616.5072 294.2204@1.1045556 1.1045556 18 294.2204 735.5801@1.0243334 1.0243334 3 735.5801 318.2183@1.0629166 1.0629166 12 318.2183 705.6052@1.0279 1.0279 10 705.6052 754.5944@1.0309999 1.0309999 2 754.5944 660.5505@1.0220768 1.0220768 13 660.5505 621.5023@1.0389999 1.0389999 5 621.5023 939.7853@1.0293332 1.0293332 3 939.7853 334.2146@1.0595 1.0595 2 334.2146 769.5881@1.033 1.033 2 769.5881 278.225@1.1581429 1.1581429 14 278.225 749.6274@1.027 1.027 4 749.6274 1054.2899@1.0393715 1.0393715 35 1054.2899 1317.1335@1.0335 1.0335 2 1317.1335 590.4914@1.032 1.032 4 590.4914 711.5809@1.0216365 1.0216365 11 711.5809 1293.1373@1.036 1.036 2 1293.1373 915.7864@1.0355713 1.0355713 7 915.7864 521.1156@1.0368999 1.0368999 10 521.1156 1014.9131@1.037 1.037 1 1014.9131 646.5695@1.032037 1.032037 27 646.5695 925.4759@1.0377727 1.0377727 22 925.4759 751.5845@1.037 1.037 2 751.5845 642.5221@1.0552887 1.0552887 52 642.5221 700.5438@1.0353333 1.0353333 3 700.5438 570.4601@1.0875833 1.0875833 12 570.4601 709.6349@1.0322857 1.0322857 7 709.6349 112.1252@1.0395 1.0395 6 112.1252 942.8014@1.0474999 1.0474999 2 942.8014 428.3662@1.0591668 1.0591668 12 428.3662 575.3246@1.0424397 1.0424397 50 575.3246 302.225@1.069961 1.069961 51 302.225 387.2709@1.0685 1.0685 2 387.2709 400.2839@1.057 1.057 3 400.2839 384.3381@1.0808572 1.0808572 14 384.3381 326.2247@1.0649999 1.0649999 8 326.2247 359.2485@1.0745001 1.0745001 2 359.2485 272.1661@1.0761714 1.0761714 35 272.1661 190.0998@1.077 1.077 1 190.0998 324.2096@1.078 1.078 9 324.2096 140.1204@1.0888333 1.0888333 6 140.1204 176.0844@1.0769999 1.0769999 2 176.0844 557.1284@1.0768298 1.0768298 88 557.1284 306.2075@1.13025 1.13025 4 306.2075 349.2674@1.079 1.079 2 349.2674 216.1154@1.0815 1.0815 2 216.1154 767.5686@1.0780001 1.0780001 2 767.5686 C20 H49 Cl N7 1.0786036 126 422.3751 [ C20 H49 Cl N7, mfg=77.13, overall=77.13 ] 426.3506@1.074913 1.074913 23 426.3506 272.2142@1.0588236 1.0588236 51 272.2142 C26 H48 O3 1.0754766 86 408.3594 [ C26 H48 O3, mfg=47.35, overall=47.35 ] 580.5035@1.0855834 1.0855834 36 580.5035 80.0626@1.0960525 1.0960525 38 80.0626 600.4727@1.0839999 1.0839999 51 600.4727 206.0953@1.088 1.088 1 206.0953 393.2523@1.09 1.09 2 393.2523 260.2135@1.0975263 1.0975263 19 260.2135 563.477@1.0964998 1.0964998 10 563.477 320.2344@1.0952272 1.0952272 22 320.2344 533.4326@1.0780001 1.0780001 6 533.4326 363.2768@1.091 1.091 1 363.2768 361.1754@1.0992354 1.0992354 17 361.1754 178.0995@1.092 1.092 2 178.0995 96.0937@1.1077778 1.1077778 36 96.0937 552.4739@1.0805652 1.0805652 23 552.4739 282.1994@1.0925 1.0925 2 282.1994 598.5107@1.0896665 1.0896665 39 598.5107 576.4757@1.0921975 1.0921975 86 576.4757 335.2462@1.0913334 1.0913334 3 335.2462 300.2076@1.0746316 1.0746316 19 300.2076 234.1622@1.106 1.106 3 234.1622 C8 H18 N7 O2 S 1.0934817 131 276.1218 [ C8 H18 N7 O2 S, mfg=73.83, overall=73.83 ] 544.4133@1.0979376 1.0979376 16 544.4133 471.3872@1.0873684 1.0873684 19 471.3872 192.152@1.1021026 1.1021026 39 192.152 298.1937@1.0922 1.0922 5 298.1937 236.1781@1.1178002 1.1178002 45 236.1781 332.235@1.0940001 1.0940001 2 332.235 485.4064@1.0921943 1.0921943 36 485.4064 570.4368@1.0849999 1.0849999 53 570.4368 138.1045@1.097031 1.097031 65 138.1045 351.2415@1.15275 1.15275 8 351.2415 546.4268@1.0993152 1.0993152 111 546.4268 206.1674@1.1039217 1.1039217 77 206.1674 166.0993@1.106346 1.106346 26 166.0993 148.0888@1.12825 1.12825 4 148.0888 363.1901@1.1016033 1.1016033 63 363.1901 368.1765@1.1032658 1.1032658 94 368.1765 504.4174@1.0941089 1.0941089 101 504.4174 568.4662@1.1177814 1.1177814 64 568.4662 980.8255@1.1045625 1.1045625 16 980.8255 391.2358@1.1040001 1.1040001 2 391.2358 407.231@1.108 1.108 2 407.231 723.6068@1.0916666 1.0916666 6 723.6068 643.404@1.1084368 1.1084368 87 643.404 585.4951@1.11215 1.11215 20 585.4951 457.3735@1.1024761 1.1024761 21 457.3735 377.2573@1.1136667 1.1136667 3 377.2573 623.4783@1.1031297 1.1031297 54 623.4783 375.2414@1.0895 1.0895 2 375.2414 715.6077@1.111 1.111 1 715.6077 436.1867@1.1179211 1.1179211 38 436.1867 345.1807@1.115 1.115 1 345.1807 380.1991@1.116 1.116 1 380.1991 283.1209@1.1165001 1.1165001 4 283.1209 340.2039@1.115 1.115 2 340.2039 289.1556@1.1088 1.1088 15 289.1556 322.1938@1.09975 1.09975 4 322.1938 367.2363@1.1170001 1.1170001 2 367.2363 529.435@1.1214664 1.1214664 75 529.435 360.2599@1.1643333 1.1643333 3 360.2599 256.1328@1.1202857 1.1202857 7 256.1328 246.1479@1.1651665 1.1651665 36 246.1479 581.4642@1.1219523 1.1219523 21 581.4642 150.1406@1.1404583 1.1404583 24 150.1406 641.4889@1.1265429 1.1265429 35 641.4889 563.4914@1.1025965 1.1025965 57 563.4914 316.204@1.1143333 1.1143333 3 316.204 523.431@1.1370887 1.1370887 45 523.431 272.2179@1.1397692 1.1397692 13 272.2179 116.0845@1.1686317 1.1686317 19 116.0845 460.3181@1.1291819 1.1291819 22 460.3181 154.1358@1.1371137 1.1371137 44 154.1358 558.3914@1.1341016 1.1341016 59 558.3914 390.2763@1.136 1.136 2 390.2763 459.3882@1.128091 1.128091 11 459.3882 190.1364@1.1398295 1.1398295 100 190.1364 458.3596@1.1332308 1.1332308 13 458.3596 375.2804@1.1451923 1.1451923 52 375.2804 192.1476@1.148 1.148 3 192.1476 301.1316@1.2333055 1.2333055 36 301.1316 112.0887@1.1659374 1.1659374 16 112.0887 94.0422@1.171 1.171 1 94.0422 324.2097@1.173 1.173 2 324.2097 367.2444@1.176 1.176 1 367.2444 334.2143@1.1762856 1.1762856 7 334.2143 316.2043@1.1741428 1.1741428 7 316.2043 320.2351@1.1783332 1.1783332 24 320.2351 298.1942@1.1845 1.1845 2 298.1942 366.2771@1.1230909 1.1230909 11 366.2771 302.2255@1.1776316 1.1776316 19 302.2255 374.2084@1.186 1.186 2 374.2084 273.2004@1.1335 1.1335 2 273.2004 358.2134@1.1474999 1.1474999 4 358.2134 318.2196@1.1463332 1.1463332 9 318.2196 300.2092@1.151 1.151 3 300.2092 271.1217@1.1935714 1.1935714 14 271.1217 202.1725@1.197 1.197 1 202.1725 350.2107@1.1855 1.1855 2 350.2107 401.2566@1.2047019 1.2047019 57 401.2566 515.4211@1.1464999 1.1464999 4 515.4211 305.2572@1.2061707 1.2061707 106 305.2572 409.2484@1.1615 1.1615 2 409.2484 340.2047@1.224 1.224 1 340.2047 389.0644@1.228889 1.228889 36 389.0644 425.3507@1.2168485 1.2168485 33 425.3507 351.3003@1.2334167 1.2334167 12 351.3003 443.325@1.223604 1.223604 48 443.325 213.1203@1.2395357 1.2395357 28 213.1203 272.2467@1.2397722 1.2397722 88 272.2467 225.0771@1.2448249 1.2448249 40 225.0771 192.1513@1.2362728 1.2362728 55 192.1513 240.1724@1.2449585 1.2449585 24 240.1724 368.2202@1.2409999 1.2409999 2 368.2202 130.1007@1.2537084 1.2537084 24 130.1007 409.2473@1.2360001 1.2360001 2 409.2473 273.1951@1.2608787 1.2608787 33 273.1951 94.0418@1.2605714 1.2605714 7 94.0418 264.1931@1.2635925 1.2635925 27 264.1931 334.215@1.2705 1.2705 2 334.215 212.1779@1.1679704 1.1679704 34 212.1779 271.1213@1.2669047 1.2669047 21 271.1213 385.2467@1.2705 1.2705 2 385.2467 155.1312@1.2910953 1.2910953 21 155.1312 173.1419@1.2915556 1.2915556 9 173.1419 268.1681@1.2891665 1.2891665 42 268.1681 487.3514@1.3032426 1.3032426 33 487.3514 368.2208@1.3694999 1.3694999 2 368.2208 332.1376@1.4379686 1.4379686 96 332.1376 531.3784@1.47164 1.47164 50 531.3784 364.9941@1.5733113 1.5733113 61 364.9941 334.1612@1.5755 1.5755 6 334.1612 323.968@1.5745964 1.5745964 109 323.968 387.2101@1.5761819 1.5761819 33 387.2101 114.0487@1.575256 1.575256 43 114.0487 296.1763@1.5759512 1.5759512 41 296.1763 299.1566@1.5769773 1.5769773 44 299.1566 111.0491@1.5750976 1.5750976 41 111.0491 219.1164@1.5753001 1.5753001 30 219.1164 326.1789@1.5757221 1.5757221 36 326.1789 132.0608@1.5774999 1.5774999 22 132.0608 283.1807@1.5778239 1.5778239 51 283.1807 327.1895@1.5784999 1.5784999 6 327.1895 575.4023@1.5906875 1.5906875 32 575.4023 172.0718@1.7181114 1.7181114 18 172.0718 619.43@1.7401428 1.7401428 7 619.43 425.3146@1.8477666 1.8477666 30 425.3146 663.4548@1.9396 1.9396 5 663.4548 172.0607@2.1458333 2.1458333 6 172.0607 226.8774@2.1483335 2.1483335 9 226.8774 329.0764@2.1558664 2.1558664 30 329.0764 707.4822@2.1815 2.1815 4 707.4822 609.4235@2.3884091 2.3884091 22 609.4235 245.9012@2.4687288 2.4687288 70 245.9012 401.3323@2.4896364 2.4896364 11 401.3323 751.5083@2.499 2.499 2 751.5083 152.0588@2.5380907 2.5380907 11 152.0588 150.0541@2.5701761 2.5701761 34 150.0541 682.1188@2.75094 2.75094 117 682.1188 169.0428@2.8054779 2.8054779 23 169.0428 595.409@2.8216665 2.8216665 30 595.409 393.2374@2.854 2.854 1 393.2374 795.5341@2.8895001 2.8895001 2 795.5341 415.309@2.9304047 2.9304047 94 415.309 437.2901@2.925 2.925 1 437.2901 382.1091@2.9404027 2.9404027 72 382.1091 84.0212@2.9325 2.9325 10 84.0212 565.2029@2.9620664 2.9620664 45 565.2029 408.1058@2.9622002 2.9622002 60 408.1058 104.026@3.0686529 3.0686529 72 104.026 839.5593@3.2295 3.2295 2 839.5593 225.0754@3.5293994 3.5293994 20 225.0754 270.2352@3.559412 3.559412 17 270.2352 222.0858@3.5998974 3.5998974 39 222.0858 347.3186@3.733222 3.733222 9 347.3186 248.0825@3.7740703 3.7740703 57 248.0825 267.1437@3.7753596 3.7753596 39 267.1437 465.1681@4.03963 4.03963 27 465.1681 157.1832@4.2828574 4.2828574 7 157.1832 303.2815@4.3375 4.3375 2 303.2815 319.2726@4.4179997 4.4179997 3 319.2726 884.54@4.6111 4.6111 10 884.54 906.52@4.6239996 4.6239996 4 906.52 127.136@4.791262 4.791262 42 127.136 431.3018@4.845222 4.845222 36 431.3018 837.5511@5.2194996 5.2194996 2 837.5511 813.5524@5.2547145 5.2547145 7 813.5524 841.5819@5.238 5.238 2 841.5819 789.5667@5.2651668 5.2651668 12 789.5667 813.564@5.316062 5.316062 16 813.564 190.1471@5.315 5.315 1 190.1471 402.7814@5.3275 5.3275 2 402.7814 818.5801@5.382667 5.382667 6 818.5801 771.5445@5.353 5.353 2 771.5445 863.6151@5.337778 5.337778 9 863.6151 851.6064@5.358 5.358 1 851.6064 847.5703@5.374 5.374 1 847.5703 855.5943@5.29225 5.29225 4 855.5943 797.5633@5.3942 5.3942 10 797.5633 865.5763@5.458 5.458 1 865.5763 926.5397@5.473 5.473 15 926.5397 364.2702@5.4862146 5.4862146 14 364.2702 857.5904@5.462 5.462 2 857.5904 887.5501@5.49 5.49 1 887.5501 703.5155@5.534714 5.534714 14 703.5155 843.6433@5.518698 5.518698 53 843.6433 837.5481@5.5183334 5.5183334 3 837.5481 377.7737@5.5293336 5.5293336 3 377.7737 771.5778@5.495 5.495 7 771.5778 378.2753@5.526 5.526 1 378.2753 774.5605@5.5290003 5.5290003 2 774.5605 789.5696@5.5949287 5.5949287 14 789.5696 785.5935@5.5825 5.5825 14 785.5935 813.5527@5.6732497 5.6732497 8 813.5527 821.622@5.504945 5.504945 18 821.622 284.0934@5.6036663 5.6036663 27 284.0934 789.5666@5.6874166 5.6874166 12 789.5666 1173.3472@5.702401 5.702401 70 1173.3472 1207.3427@5.703722 5.703722 18 1207.3427 930.0361@5.7118 5.7118 25 930.0361 843.6372@5.7189217 5.7189217 76 843.6372 862.0496@5.7131257 5.7131257 48 862.0496 815.0498@5.7148414 5.7148414 94 815.0498 848.0321@5.7105 5.7105 4 848.0321 835.5403@5.7186666 5.7186666 6 835.5403 828.0565@5.713614 5.713614 57 828.0565 815.6148@5.7107244 5.7107244 29 815.6148 902.5794@5.718371 5.718371 62 902.5794 832.5766@5.715 5.715 1 832.5766 715.8716@5.718518 5.718518 29 715.8716 903.5321@5.716 5.716 2 903.5321 883.0349@5.714441 5.714441 41 883.0349 833.5885@5.7658 5.7658 65 833.5885 879.5496@5.7585 5.7585 2 879.5496 876.5662@5.719 5.719 1 876.5662 889.5724@5.7218575 5.7218575 7 889.5724 470.2608@5.720444 5.720444 9 470.2608 727.5136@5.7216 5.7216 10 727.5136 800.0765@5.7185 5.7185 18 800.0765 774.5617@5.6852 5.6852 5 774.5617 769.503@5.789693 5.789693 26 769.503 865.5208@5.8478217 5.8478217 28 865.5208 779.5431@5.8756504 5.8756504 57 779.5431 344.8924@6.0045 6.0045 6 344.8924 105.0789@5.963664 5.963664 83 105.0789 148.0999@5.99 5.99 2 148.0999 649.4321@5.997332 5.997332 39 649.4321 439.3057@6.0874543 6.0874543 22 439.3057 129.0431@6.0861 6.0861 10 129.0431 121.0736@6.0975704 6.0975704 89 121.0736 466.2948@6.151909 6.151909 11 466.2948 705.4576@6.154779 6.154779 36 705.4576 693.4576@6.1991115 6.1991115 9 693.4576 139.0617@6.233167 6.233167 6 139.0617 621.4012@6.307667 6.307667 3 621.4012 649.3939@6.3391666 6.3391666 6 649.3939 174.1371@6.3849716 6.3849716 35 174.1371 507.3688@6.488485 6.488485 33 507.3688 505.3539@6.5070357 6.5070357 28 505.3539 223.1069@6.501932 6.501932 44 223.1069 493.3533@6.534 6.534 1 493.3533 696.5182@6.5525837 6.5525837 24 696.5182 609.3646@6.5581 6.5581 20 609.3646 553.3874@6.6218004 6.6218004 10 553.3874 565.3146@6.6282845 6.6282845 21 565.3146 101.0479@6.640222 6.640222 18 101.0479 73.0527@6.6274004 6.6274004 10 73.0527 602.3469@6.646 6.646 1 602.3469 1069.7122@6.647 6.647 1 1069.7122 684.258@6.6459227 6.6459227 13 684.258 702.5677@6.668428 6.668428 28 702.5677 654.3536@6.669 6.669 1 654.3536 641.2404@6.6886673 6.6886673 6 641.2404 682.2412@6.686667 6.686667 6 682.2412 557.2883@6.6987505 6.6987505 8 557.2883 597.3099@6.703363 6.703363 11 597.3099 788.9833@6.70025 6.70025 4 788.9833 1037.1442@6.705 6.705 1 1037.1442 1136.5726@6.7044997 6.7044997 4 1136.5726 1036.646@6.7056 6.7056 5 1036.646 777.4836@6.7085 6.7085 4 777.4836 776.9804@6.70875 6.70875 4 776.9804 1025.148@6.712 6.712 2 1025.148 1024.6462@6.7105 6.7105 2 1024.6462 726.2311@6.7130003 6.7130003 2 726.2311 1017.6455@6.716 6.716 1 1017.6455 577.2518@6.719 6.719 4 577.2518 585.3024@6.71625 6.71625 4 585.3024 1013.1514@6.7174997 6.7174997 2 1013.1514 1028.6226@6.717 6.717 2 1028.6226 658.2434@6.7156663 6.7156663 6 658.2434 477.318@6.719647 6.719647 34 477.318 798.947@6.719 6.719 1 798.947 765.483@6.7169995 6.7169995 4 765.483 764.9812@6.7182503 6.7182503 4 764.9812 1017.126@6.7205 6.7205 2 1017.126 1001.6475@6.721 6.721 1 1001.6475 798.4398@6.721 6.721 1 798.4398 1112.57@6.71825 6.71825 4 1112.57 685.2272@6.723 6.723 1 685.2272 539.2996@6.72575 6.72575 4 539.2996 1010.6304@6.727333 6.727333 3 1010.6304 503.2985@6.7507997 6.7507997 5 503.2985 491.3006@6.767 6.767 1 491.3006 551.3218@6.778 6.778 2 551.3218 559.3274@6.830444 6.830444 9 559.3274 439.2695@6.922 6.922 2 439.2695 535.3277@6.9496665 6.9496665 3 535.3277 642.3998@7.094 7.094 4 642.3998 350.0536@7.0967774 7.0967774 9 350.0536 209.0475@7.2032523 7.2032523 91 209.0475 165.0462@7.652 7.652 1 165.0462 688.0085@7.7912564 7.7912564 105 688.0085 758.6297@7.791304 7.791304 23 758.6297 301.0128@7.793725 7.793725 127 301.0128 758.6286@7.8506665 7.8506665 3 758.6286 246.1849@8.1372 8.1372 15 246.1849 202.1435@8.908 8.908 8 202.1435 154.122@9.080842 9.080842 76 154.122 188.1531@9.9265995 9.9265995 47 188.1531 151.0636@0.7865 0.7865 8 151.0636 511.9771@0.7760936 0.7760936 32 511.9771 1042.2312@0.7745001 0.7745001 6 1042.2312 837.1905@0.77414286 0.77414286 7 837.1905 501.9924@0.77599996 0.77599996 4 501.9924 938.721@1.004 1.004 1 938.721 1000.2791@1.0079778 1.0079778 45 1000.2791 1003.2606@1.0124285 1.0124285 7 1003.2606 1060.2548@1.0091429 1.0091429 7 1060.2548 927.7528@1.0102799 1.0102799 25 927.7528 1205.3076@1.0161539 1.0161539 13 1205.3076 901.7366@1.0132647 1.0132647 34 901.7366 905.7268@1.015 1.015 1 905.7268 921.2918@1.0125715 1.0125715 7 921.2918 893.2443@1.0142727 1.0142727 11 893.2443 929.2477@1.0151875 1.0151875 16 929.2477 895.1839@1.014 1.014 3 895.1839 835.2148@1.0156 1.0156 5 835.2148 845.285@1.01599 1.01599 106 845.285 803.2545@1.017 1.017 10 803.2545 679.5197@1.0186667 1.0186667 3 679.5197 838.2063@1.018 1.018 1 838.2063 1370.3715@1.0185715 1.0185715 7 1370.3715 863.6981@1.0194347 1.0194347 23 863.6981 571.4775@1.0231334 1.0231334 15 571.4775 911.7562@1.0342973 1.0342973 37 911.7562 819.2413@1.0202667 1.0202667 15 819.2413 745.1445@1.0203184 1.0203184 22 745.1445 745.2078@1.0217366 1.0217366 19 745.2078 557.4654@1.0492858 1.0492858 14 557.4654 635.5491@1.027 1.027 15 635.5491 729.2358@1.0217143 1.0217143 14 729.2358 665.5935@1.0218999 1.0218999 10 665.5935 669.2365@1.0236 1.0236 5 669.2365 605.5031@1.0237777 1.0237777 9 605.5031 726.1363@1.0292727 1.0292727 11 726.1363 613.1578@1.0270334 1.0270334 30 613.1578 611.5503@1.0246111 1.0246111 18 611.5503 666.1699@1.0221334 1.0221334 15 666.1699 647.5134@1.0264678 1.0264678 62 647.5134 671.1257@1.0262 1.0262 20 671.1257 671.1934@1.0276471 1.0276471 17 671.1934 638.3277@1.029 1.029 19 638.3277 655.2175@1.0287778 1.0287778 18 655.2175 616.1524@1.031 1.031 1 616.1524 943.7616@1.0280126 1.0280126 80 943.7616 1441.3922@1.0339999 1.0339999 4 1441.3922 540.1367@1.0339285 1.0339285 28 540.1367 853.7143@1.029143 1.029143 21 853.7143 522.1111@1.0470715 1.0470715 14 522.1111 597.1761@1.0356666 1.0356666 6 597.1761 240.0682@1.0405 1.0405 2 240.0682 596.1184@1.0448182 1.0448182 11 596.1184 428.0818@1.0411962 1.0411962 51 428.0818 489.4025@1.0444801 1.0444801 25 489.4025 523.1562@1.046 1.046 1 523.1562 419.3233@1.0456 1.0456 15 419.3233 482.148@1.0482501 1.0482501 4 482.148 447.1087@1.0472425 1.0472425 33 447.1087 148.0374@1.048654 1.048654 26 148.0374 525.4058@1.1300666 1.1300666 45 525.4058 462.3658@1.0723636 1.0723636 11 462.3658 504.0799@1.0553929 1.0553929 56 504.0799 641.3361@1.059 1.059 9 641.3361 708.1625@1.0598334 1.0598334 6 708.1625 356.2205@1.0604445 1.0604445 9 356.2205 585.3062@1.06 1.06 4 585.3062 TG(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] 1.063971 103 921.7772 TG(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] [ C59 H100 O6, db=57.28, overall=57.28, HMP ID=HMDB10469, METLIN ID=61767 ] 605.4866@1.0804285 1.0804285 7 605.4866 575.3856@1.068 1.068 1 575.3856 343.2725@1.0678439 1.0678439 64 343.2725 285.2225@1.0723863 1.0723863 44 285.2225 347.2676@1.1012858 1.1012858 7 347.2676 357.1943@1.0716 1.0716 10 357.1943 334.2529@1.1005001 1.1005001 4 334.2529 150.1035@1.0853077 1.0853077 13 150.1035 236.2147@1.0760999 1.0760999 30 236.2147 112.0522@1.0786957 1.0786957 23 112.0522 282.2512@1.0823637 1.0823637 11 282.2512 308.2713@1.0873749 1.0873749 24 308.2713 507.4246@1.0973333 1.0973333 3 507.4246 292.2395@1.0941958 1.0941958 46 292.2395 315.2752@1.0913125 1.0913125 16 315.2752 625.4913@1.0883332 1.0883332 6 625.4913 282.1011@1.1196799 1.1196799 50 282.1011 448.0732@1.0877693 1.0877693 13 448.0732 579.4938@1.0896207 1.0896207 58 579.4938 587.3657@1.0894374 1.0894374 32 587.3657 126.1052@1.0913334 1.0913334 18 126.1052 407.0797@1.09225 1.09225 4 407.0797 333.218@1.083 1.083 2 333.218 574.4598@1.0892743 1.0892743 91 574.4598 348.2681@1.0932499 1.0932499 36 348.2681 532.3777@1.1215999 1.1215999 15 532.3777 244.2195@1.0914876 1.0914876 41 244.2195 417.2721@1.090625 1.090625 8 417.2721 542.4638@1.0976841 1.0976841 19 542.4638 588.4405@1.1019131 1.1019131 23 588.4405 304.2045@1.1004783 1.1004783 23 304.2045 274.2318@1.0945001 1.0945001 18 274.2318 459.2629@1.1003846 1.1003846 13 459.2629 506.3629@1.1401175 1.1401175 34 506.3629 210.1623@1.1437123 1.1437123 80 210.1623 379.2903@1.1145 1.1145 2 379.2903 410.3405@1.1001538 1.1001538 26 410.3405 933.7124@1.1041 1.1041 10 933.7124 236.1412@1.106625 1.106625 16 236.1412 608.469@1.1228518 1.1228518 27 608.469 821.7446@1.1059638 1.1059638 55 821.7446 310.25@1.0953888 1.0953888 18 310.25 196.1832@1.1060001 1.1060001 12 196.1832 636.4897@1.12884 1.12884 25 636.4897 450.3695@1.1057291 1.1057291 59 450.3695 417.3447@1.1177727 1.1177727 44 417.3447 582.4539@1.1248095 1.1248095 21 582.4539 481.3776@1.11316 1.11316 25 481.3776 632.4584@1.1225555 1.1225555 36 632.4584 228.1366@1.1673684 1.1673684 19 228.1366 518.3974@1.1329317 1.1329317 44 518.3974 314.1884@1.1323658 1.1323658 82 314.1884 303.2815@1.133 1.133 1 303.2815 511.422@1.1247274 1.1247274 11 511.422 540.4395@1.1337334 1.1337334 15 540.4395 307.2021@1.1317223 1.1317223 36 307.2021 255.2201@1.1347142 1.1347142 7 255.2201 620.4473@1.1349666 1.1349666 30 620.4473 361.3279@1.1284286 1.1284286 7 361.3279 94.0781@1.1397586 1.1397586 29 94.0781 443.3723@1.1270335 1.1270335 60 443.3723 198.1842@1.1391667 1.1391667 6 198.1842 407.3017@1.1439444 1.1439444 72 407.3017 770.6386@1.1401275 1.1401275 47 770.6386 314.2461@1.1441154 1.1441154 26 314.2461 344.2554@1.14275 1.14275 4 344.2554 68.0642@1.1324859 1.1324859 35 68.0642 459.3577@1.1495 1.1495 8 459.3577 434.3037@1.1462414 1.1462414 29 434.3037 608.3186@1.1515555 1.1515555 9 608.3186 215.1534@1.1547694 1.1547694 26 215.1534 221.1735@1.1595 1.1595 2 221.1735 550.3866@1.1495454 1.1495454 11 550.3866 507.4322@1.1568 1.1568 5 507.4322 316.2635@1.173 1.173 4 316.2635 124.0883@1.1169 1.1169 10 124.0883 199.1939@1.1781253 1.1781253 72 199.1939 278.1751@1.1803498 1.1803498 20 278.1751 382.2725@1.1787916 1.1787916 24 382.2725 254.1531@1.1644042 1.1644042 47 254.1531 265.1919@1.2298 1.2298 5 265.1919 367.258@1.2049502 1.2049502 60 367.258 333.2418@1.2000426 1.2000426 47 333.2418 342.3244@1.2121965 1.2121965 56 342.3244 317.2318@1.2069286 1.2069286 14 317.2318 340.3085@1.2162993 1.2162993 77 340.3085 348.2874@1.2232105 1.2232105 19 348.2874 249.1711@1.2298948 1.2298948 19 249.1711 547.4165@1.246 1.246 2 547.4165 619.3572@1.2486552 1.2486552 29 619.3572 262.23@1.2533547 1.2533547 31 262.23 254.1159@1.2588 1.2588 5 254.1159 271.2154@1.2107 1.2107 20 271.2154 253.2052@1.251 1.251 3 253.2052 409.34@1.2621666 1.2621666 24 409.34 253.2395@1.2409474 1.2409474 19 253.2395 474.1325@1.2645295 1.2645295 17 474.1325 240.1001@1.2687223 1.2687223 18 240.1001 234.1809@1.2485001 1.2485001 2 234.1809 180.0793@1.2663056 1.2663056 36 180.0793 376.0491@1.2685312 1.2685312 32 376.0491 257.1999@1.2113333 1.2113333 9 257.1999 261.1951@1.2815 1.2815 6 261.1951 875.7947@1.2965715 1.2965715 7 875.7947 364.2828@1.2936667 1.2936667 3 364.2828 219.1035@1.3311304 1.3311304 23 219.1035 267.2051@1.3414999 1.3414999 12 267.2051 288.2419@1.3361483 1.3361483 27 288.2419 239.1734@1.3655833 1.3655833 12 239.1734 381.309@1.2722726 1.2722726 33 381.309 495.4131@1.3811668 1.3811668 6 495.4131 614.238@1.3922602 1.3922602 96 614.238 414.3148@1.4071666 1.4071666 6 414.3148 383.2888@1.4232632 1.4232632 19 383.2888 453.3668@1.4238334 1.4238334 12 453.3668 439.3516@1.4390715 1.4390715 14 439.3516 425.3352@1.4602594 1.4602594 27 425.3352 236.1632@1.4484283 1.4484283 42 236.1632 323.9676@1.57675 1.57675 4 323.9676 225.1593@1.557 1.557 1 225.1593 497.3928@1.5573751 1.5573751 8 497.3928 235.124@1.567 1.567 8 235.124 252.0294@1.5966667 1.5966667 3 252.0294 516.0478@1.5746129 1.5746129 31 516.0478 521.023@1.5701844 1.5701844 103 521.023 477.1905@1.62 1.62 24 477.1905 256.2149@1.596 1.596 1 256.2149 469.3617@1.5955001 1.5955001 30 469.3617 145.0561@1.632421 1.632421 38 145.0561 541.4184@1.6833999 1.6833999 5 541.4184 426.0248@1.6963333 1.6963333 3 426.0248 195.1473@1.7108747 1.7108747 56 195.1473 132.079@1.72475 1.72475 12 132.079 513.3882@1.7459999 1.7459999 17 513.3882 269.1853@1.7565 1.7565 2 269.1853 627.4907@1.7756667 1.7756667 6 627.4907 242.0771@1.8291034 1.8291034 29 242.0771 246.0859@1.83981 1.83981 42 246.0859 220.0967@1.8499997 1.8499997 32 220.0967 312.1283@1.9314 1.9314 5 312.1283 340.2361@2.0121038 2.0121038 58 340.2361 140.0335@2.1338217 2.1338217 28 140.0335 183.0398@2.1198666 2.1198666 15 183.0398 243.904@2.1522653 2.1522653 49 243.904 147.0533@2.1781914 2.1781914 47 147.0533 714.0571@2.2897143 2.2897143 21 714.0571 715.5454@2.2276666 2.2276666 3 715.5454 716.0539@2.32375 2.32375 4 716.0539 687.5129@2.32 2.32 4 687.5129 708.0666@2.439 2.439 1 708.0666 113.0501@2.5555 2.5555 2 113.0501 731.5388@2.6823332 2.6823332 3 731.5388 674.1331@2.819586 2.819586 29 674.1331 228.9808@2.807154 2.807154 26 228.9808 358.3086@2.80725 2.80725 4 358.3086 166.0667@2.8222501 2.8222501 4 166.0667 198.094@2.8332412 2.8332412 29 198.094 595.9776@2.8353 2.8353 10 595.9776 184.0745@2.8424 2.8424 5 184.0745 759.2125@2.8733957 2.8733957 43 759.2125 241.0976@2.8321633 2.8321633 49 241.0976 166.0639@2.8826666 2.8826666 18 166.0639 203.0496@2.9432998 2.9432998 10 203.0496 578.1452@2.8556252 2.8556252 8 578.1452 404.1538@2.9158669 2.9158669 15 404.1538 494.0694@2.925857 2.925857 7 494.0694 358.3088@2.9435554 2.9435554 9 358.3088 260.0879@2.8831856 2.8831856 43 260.0879 578.145@2.9235003 2.9235003 6 578.145 758.2085@2.8771362 2.8771362 22 758.2085 386.1434@2.9355 2.9355 12 386.1434 758.209@2.9732246 2.9732246 49 758.209 260.0879@2.923 2.923 7 260.0879 380.2899@3.0054002 3.0054002 5 380.2899 125.0839@3.068231 3.068231 26 125.0839 198.076@3.127638 3.127638 69 198.076 411.1153@3.15375 3.15375 4 411.1153 476.3286@3.5047858 3.5047858 14 476.3286 311.1234@3.5451343 3.5451343 52 311.1234 491.1793@3.5679998 3.5679998 3 491.1793 667.6112@3.74 3.74 15 667.6112 255.2565@3.7453156 3.7453156 19 255.2565 223.0892@3.756 3.756 1 223.0892 317.0077@3.77275 3.77275 4 317.0077 204.0757@3.7751665 3.7751665 42 204.0757 227.2255@3.81216 3.81216 25 227.2255 275.2465@3.979 3.979 6 275.2465 C3 H7 N3 4.200495 79 85.0638 [ C3 H7 N3, mfg=87.41, overall=87.41 ] 329.1433@4.25425 4.25425 4 329.1433 181.1832@4.263154 4.263154 13 181.1832 556.9084@4.3201246 4.3201246 8 556.9084 213.2463@4.33475 4.33475 4 213.2463 556.4078@4.404167 4.404167 18 556.4078 578.9212@4.466833 4.466833 12 578.9212 578.4196@4.5395 4.5395 2 578.4196 578.4197@4.565125 4.565125 8 578.4197 628.5412@4.583667 4.583667 9 628.5412 789.5278@4.619975 4.619975 40 789.5278 390.2456@4.619 4.619 1 390.2456 322.1892@4.7483335 4.7483335 6 322.1892 607.3788@5.080556 5.080556 36 607.3788 832.5801@5.2325 5.2325 2 832.5801 795.5822@5.325 5.325 2 795.5822 856.5785@5.355429 5.355429 7 856.5785 803.5439@5.3856244 5.3856244 8 803.5439 741.5672@5.454 5.454 9 741.5672 841.6247@5.366333 5.366333 3 841.6247 897.5466@5.344217 5.344217 46 897.5466 322.1645@5.379001 5.379001 59 322.1645 841.6267@5.405 5.405 1 841.6267 793.598@5.419 5.419 6 793.598 820.6108@5.423769 5.423769 13 820.6108 727.5173@5.4483333 5.4483333 3 727.5173 916.5476@5.475634 5.475634 41 916.5476 805.5613@5.412369 5.412369 19 805.5613 813.6016@5.4802103 5.4802103 19 813.6016 797.5762@5.4271994 5.4271994 5 797.5762 816.617@5.5001116 5.5001116 18 816.617 797.5977@5.5758004 5.5758004 10 797.5977 779.5445@5.5095005 5.5095005 24 779.5445 793.5979@5.5073333 5.5073333 3 793.5979 816.618@5.5889997 5.5889997 5 816.618 114.0429@5.6071997 5.6071997 5 114.0429 896.0428@5.7124543 5.7124543 33 896.0428 895.5396@5.7126656 5.7126656 21 895.5396 800.5725@5.7186255 5.7186255 48 800.5725 767.5479@5.715652 5.715652 23 767.5479 571.7407@5.717616 5.717616 13 571.7407 448.7737@5.7199516 5.7199516 62 448.7737 584.7482@5.7184997 5.7184997 32 584.7482 879.4786@5.8014 5.8014 10 879.4786 847.5386@5.8616376 5.8616376 69 847.5386 1016.6282@5.8632555 5.8632555 82 1016.6282 875.5613@5.97925 5.97925 4 875.5613 934.6366@5.975834 5.975834 6 934.6366 153.0774@6.0130005 6.0130005 7 153.0774 412.88@6.0337 6.0337 10 412.88 183.0837@6.154822 6.154822 28 183.0837 733.5619@6.2362857 6.2362857 7 733.5619 510.3211@6.3952804 6.3952804 25 510.3211 103.0633@6.4516845 6.4516845 54 103.0633 703.5709@6.5917153 6.5917153 14 703.5709 221.1063@6.5477505 6.5477505 4 221.1063 221.1059@6.621941 6.621941 17 221.1059 546.3496@6.580333 6.580333 3 546.3496 581.4169@6.647296 6.647296 54 581.4169 783.4445@6.653571 6.653571 7 783.4445 747.2695@6.662 6.662 1 747.2695 747.7719@6.663 6.663 1 747.7719 617.7292@6.665 6.665 1 617.7292 762.465@6.6646004 6.6646004 5 762.465 756.6149@6.6684713 6.6684713 17 756.6149 736.7805@6.6668 6.6668 5 736.7805 1292.5155@6.683 6.683 1 1292.5155 1371.5421@6.684 6.684 1 1371.5421 1285.5208@6.684931 6.684931 29 1285.5208 1310.5449@6.68611 6.68611 18 1310.5449 1331.5261@6.6885123 6.6885123 41 1331.5261 1451.0731@6.685571 6.685571 7 1451.0731 C23 H48 N8 O17 S 6.686468 111 740.2852 [ C23 H48 N8 O17 S, mfg=92.26, overall=92.26 ] 381.1943@6.687964 6.687964 81 381.1943 1000.3627@6.698 6.698 1 1000.3627 C5 H11 N4 O 6.6884127 85 143.0949 [ C5 H11 N4 O, mfg=66.54, overall=33.27 ] 688.552@6.6521225 6.6521225 33 688.552 702.5679@6.68975 6.68975 4 702.5679 617.7304@6.7149997 6.7149997 11 617.7304 747.7719@6.711 6.711 1 747.7719 747.2685@6.7139225 6.7139225 13 747.2685 757.8436@6.7153997 6.7153997 5 757.8436 756.6137@6.741151 6.741151 20 756.6137 780.2714@6.6934624 6.6934624 54 780.2714 627.2987@6.721637 6.721637 11 627.2987 520.1613@6.7208743 6.7208743 16 520.1613 282.0635@6.732445 6.732445 9 282.0635 515.299@6.738125 6.738125 8 515.299 495.3315@6.8114996 6.8114996 2 495.3315 159.0899@6.887931 6.887931 29 159.0899 193.111@6.9147496 6.9147496 4 193.111 252.1153@7.0855384 7.0855384 26 252.1153 752.5806@7.099625 7.099625 8 752.5806 832.6423@7.1056294 7.1056294 27 832.6423 538.0906@7.102655 7.102655 29 538.0906 230.1394@7.45 7.45 1 230.1394 197.0781@7.6201243 7.6201243 8 197.0781 346.0056@7.8255 7.8255 24 346.0056 211.0963@7.821793 7.821793 29 211.0963 688.0085@7.8418746 7.8418746 8 688.0085 712.9892@7.8119993 7.8119993 5 712.9892 162.1094@7.860333 7.860333 6 162.1094 Otonecine + 7.909625 7.909625 C10356 80 202.1323 Otonecine [ C9 H15 N O3, mfg=45.90, db=73.07, overall=59.49, CAS ID=6887-34-9, KEGG ID=C10356, METLIN ID=68272 ] 6887-34-9 707.0311@7.8058 7.8058 10 707.0311 Chalepensin 7.8747907 C09165 81 254.0943 Chalepensin [ C16 H14 O3, mfg=69.67, db=69.67, overall=69.67, CAS ID=13164-03-9, KEGG ID=C09165, METLIN ID=67479 ] 13164-03-9 1035.0063@7.820619 7.820619 21 1035.0063 784.645@7.8052497 7.8052497 40 784.645 712.9886@7.9014997 7.9014997 2 712.9886 1035.0066@7.8918 7.8918 5 1035.0066 173.1058@7.964533 7.964533 15 173.1058 690.0041@7.8704114 7.8704114 17 690.0041 228.1117@8.0935 8.0935 8 228.1117 228.1119@8.156062 8.156062 32 228.1119 216.1479@8.195188 8.195188 75 216.1479 369.9921@8.514 8.514 3 369.9921 293.1485@8.548 8.548 1 293.1485 351.0093@8.567 8.567 1 351.0093 279.1325@8.5805 8.5805 2 279.1325 693.0122@8.632 8.632 1 693.0122 216.0753@8.618563 8.618563 16 216.0753 216.0755@8.691 8.691 16 216.0755 146.1056@8.953172 8.953172 29 146.1056 160.1217@9.036133 9.036133 38 160.1217 196.1693@9.402692 9.402692 13 196.1693 298.1569@0.69775003 0.69775003 4 298.1569 282.1627@0.7245 0.7245 2 282.1627 362.1191@0.71475005 0.71475005 4 362.1191 572.0356@0.724 0.724 2 572.0356 317.1993@0.72466666 0.72466666 3 317.1993 397.1566@0.724 0.724 4 397.1566 586.0498@0.7245 0.7245 2 586.0498 477.1135@0.72650003 0.72650003 2 477.1135 380.1303@0.726 0.726 1 380.1303 396.1245@0.772 0.772 2 396.1245 397.1564@0.778 0.778 1 397.1564 263.084@0.7815 0.7815 8 263.084 132.0452@0.7991211 0.7991211 33 132.0452 925.7325@1.00875 1.00875 28 925.7325 893.2006@1.01275 1.01275 4 893.2006 893.2561@1.014 1.014 1 893.2561 896.1887@1.014 1.014 1 896.1887 814.2064@1.0172501 1.0172501 4 814.2064 740.1883@1.0181 1.0181 10 740.1883 659.5486@1.0192001 1.0192001 5 659.5486 664.5065@1.019 1.019 5 664.5065 861.7431@1.0293076 1.0293076 13 861.7431 677.4754@1.027625 1.027625 8 677.4754 650.5222@1.0415883 1.0415883 17 650.5222 338.2822@1.0715173 1.0715173 29 338.2822 615.1555@1.0263333 1.0263333 6 615.1555 595.2137@1.0265 1.0265 4 595.2137 637.325@1.0285455 1.0285455 22 637.325 885.7423@1.0322813 1.0322813 64 885.7423 1053.2877@1.0393965 1.0393965 53 1053.2877 594.1351@1.0325484 1.0325484 31 594.1351 247.0523@1.0427499 1.0427499 4 247.0523 465.1219@1.0457551 1.0457551 49 465.1219 782.1775@1.0552499 1.0552499 4 782.1775 549.5471@1.0508332 1.0508332 6 549.5471 633.6407@1.0588067 1.0588067 31 633.6407 706.1681@1.0569333 1.0569333 15 706.1681 310.2868@1.0606667 1.0606667 3 310.2868 947.7913@1.0649778 1.0649778 88 947.7913 363.3445@1.0699999 1.0699999 4 363.3445 454.2251@1.074 1.074 2 454.2251 200.0957@1.0769092 1.0769092 11 200.0957 453.3589@1.0816666 1.0816666 3 453.3589 466.3666@1.1256363 1.1256363 11 466.3666 628.5107@1.0908 1.0908 10 628.5107 27-Hydroxycholesterol 1.0964355 C06340 LMST01010057 62 402.3485 27-Hydroxycholesterol [ C27 H46 O2, mfg=60.24, db=60.04, overall=60.14, CAS ID=20380-11-4, Lipid ID=LMST01010057, KEGG ID=C06340, HMP ID=HMDB02103, METLIN ID=6487 ] 20380-11-4 587.4535@1.094 1.094 3 587.4535 441.359@1.0916001 1.0916001 5 441.359 611.5127@1.0957501 1.0957501 4 611.5127 294.147@1.1018182 1.1018182 11 294.147 421.1475@1.1005 1.1005 4 421.1475 926.8087@1.112381 1.112381 21 926.8087 644.408@1.108 1.108 2 644.408 563.4521@1.0982105 1.0982105 19 563.4521 339.2395@1.1142001 1.1142001 5 339.2395 422.3033@1.112 1.112 2 422.3033 678.5591@1.114625 1.114625 8 678.5591 250.1936@1.1208236 1.1208236 17 250.1936 410.3738@1.075034 1.075034 89 410.3738 273.1603@1.1193999 1.1193999 5 273.1603 382.3441@1.1229062 1.1229062 32 382.3441 242.1528@1.1483 1.1483 10 242.1528 378.2771@1.1191 1.1191 20 378.2771 270.1904@1.1088462 1.1088462 13 270.1904 224.178@1.129889 1.129889 27 224.178 514.3651@1.1235714 1.1235714 35 514.3651 628.5084@1.1272 1.1272 10 628.5084 110.0735@1.1436365 1.1436365 22 110.0735 204.1487@1.129909 1.129909 11 204.1487 172.1257@1.1451555 1.1451555 45 172.1257 530.3608@1.1526855 1.1526855 35 530.3608 668.4268@1.1415498 1.1415498 20 668.4268 170.1303@1.1704 1.1704 15 170.1303 222.1626@1.1781905 1.1781905 21 222.1626 282.101@1.1466 1.1466 5 282.101 845.4345@1.1530002 1.1530002 19 845.4345 925.8074@1.1395357 1.1395357 28 925.8074 271.1799@1.1758333 1.1758333 36 271.1799 256.2036@1.1304001 1.1304001 15 256.2036 317.1861@1.181 1.181 1 317.1861 277.1532@1.151 1.151 3 277.1532 266.1868@1.16336 1.16336 25 266.1868 416.2561@1.19025 1.19025 16 416.2561 850.7797@1.19 1.19 5 850.7797 520.4107@1.199 1.199 1 520.4107 347.2826@1.1143334 1.1143334 9 347.2826 293.2351@1.2267199 1.2267199 50 293.2351 388.2289@1.2096667 1.2096667 3 388.2289 210.1623@1.2344211 1.2344211 19 210.1623 261.0563@1.26075 1.26075 8 261.0563 131.0945@1.2885001 1.2885001 4 131.0945 187.1572@1.284 1.284 1 187.1572 285.2311@1.2871153 1.2871153 26 285.2311 282.1012@1.33925 1.33925 4 282.1012 356.2716@1.3376666 1.3376666 9 356.2716 462.2254@1.3664738 1.3664738 19 462.2254 702.4015@1.339 1.339 2 702.4015 684.3896@1.34 1.34 1 684.3896 669.1325@1.34 1.34 2 669.1325 327.1355@1.3415 1.3415 2 327.1355 481.1692@1.3405 1.3405 4 481.1692 446.0579@1.3434999 1.3434999 2 446.0579 451.0373@1.3445001 1.3445001 2 451.0373 332.0913@1.344 1.344 2 332.0913 246.065@1.355 1.355 2 246.065 211.1577@1.3625 1.3625 8 211.1577 196.1219@1.4677144 1.4677144 21 196.1219 99.0682@1.5483683 1.5483683 19 99.0682 218.0702@1.5363334 1.5363334 3 218.0702 124.0889@1.5311817 1.5311817 11 124.0889 230.1537@1.5356666 1.5356666 3 230.1537 298.1331@1.5537333 1.5537333 30 298.1331 314.1268@1.4476 1.4476 5 314.1268 218.0701@1.5592 1.5592 5 218.0701 743.9678@1.5688 1.5688 5 743.9678 538.1052@1.5858288 1.5858288 35 538.1052 270.1761@1.666 1.666 2 270.1761 157.0915@1.6675453 1.6675453 22 157.0915 544.2376@1.8477272 1.8477272 11 544.2376 591.327@1.8486668 1.8486668 12 591.327 354.2561@1.8504002 1.8504002 5 354.2561 372.2664@1.85 1.85 4 372.2664 807.0085@2.1209998 2.1209998 5 807.0085 211.106@2.1495 2.1495 2 211.106 328.2616@2.164 2.164 2 328.2616 353.15@2.1618657 2.1618657 67 353.15 285.0962@2.2779999 2.2779999 8 285.0962 310.1091@2.324 2.324 2 310.1091 551.0539@2.387893 2.387893 28 551.0539 198.0762@2.4918332 2.4918332 6 198.0762 328.2609@2.479 2.479 2 328.2609 245.108@2.5075185 2.5075185 27 245.108 219.1113@2.4965 2.4965 2 219.1113 282.1687@2.7525 2.7525 2 282.1687 299.1948@2.7642221 2.7642221 9 299.1948 425.0396@2.8098571 2.8098571 14 425.0396 598.1398@2.8571 2.8571 10 598.1398 385.14@2.8788 2.8788 15 385.14 409.0444@2.9182 2.9182 5 409.0444 231.0576@2.9205 2.9205 2 231.0576 407.0535@2.9125478 2.9125478 31 407.0535 426.1164@2.944167 2.944167 12 426.1164 223.0871@2.9021 2.9021 10 223.0871 188.0501@2.9396362 2.9396362 11 188.0501 492.2206@3.201 3.201 1 492.2206 571.1724@3.2189999 3.2189999 2 571.1724 576.1277@3.231 3.231 1 576.1277 597.1783@3.2325 3.2325 4 597.1783 571.1713@3.27 3.27 1 571.1713 480.2728@3.2910001 3.2910001 3 480.2728 257.1018@3.5975142 3.5975142 35 257.1018 573.1878@3.826 3.826 1 573.1878 493.2309@3.836 3.836 1 493.2309 578.143@3.871 3.871 1 578.143 493.2313@3.8953333 3.8953333 3 493.2313 573.188@3.9060001 3.9060001 3 573.188 7-Methylguanine 3.8934765 C02242 99 165.0655 7-Methylguanine [ C6 H7 N5 O, mfg=77.75, db=77.74, overall=77.75, CAS ID=578-76-7, KEGG ID=C02242, HMP ID=HMDB00897, METLIN ID=58012 ] 578-76-7 578.1445@3.913 3.913 2 578.1445 573.1886@3.959 3.959 2 573.1886 578.1428@3.9415 3.9415 2 578.1428 299.2826@4.18925 4.18925 4 299.2826 326.0429@4.2004204 4.2004204 38 326.0429 297.2677@4.227 4.227 1 297.2677 301.2985@4.243 4.243 1 301.2985 507.2112@4.3789997 4.3789997 2 507.2112 545.4802@4.517177 4.517177 17 545.4802 274.1244@4.62375 4.62375 4 274.1244 765.5283@4.636 4.636 7 765.5283 217.1684@4.642143 4.642143 14 217.1684 260.1085@4.65325 4.65325 4 260.1085 246.093@4.70925 4.70925 4 246.093 159.0688@4.7722383 4.7722383 21 159.0688 680.4875@4.902864 4.902864 22 680.4875 724.5139@5.1375 5.1375 8 724.5139 815.5846@5.2882853 5.2882853 49 815.5846 965.5346@5.325 5.325 2 965.5346 842.6088@5.321 5.321 2 842.6088 804.0497@5.3585997 5.3585997 5 804.0497 813.583@5.3404675 5.3404675 15 813.583 816.5664@5.3514447 5.3514447 9 816.5664 819.5196@5.3619704 5.3619704 69 819.5196 861.5081@5.3529997 5.3529997 26 861.5081 903.4723@5.365 5.365 1 903.4723 465.323@5.4003334 5.4003334 3 465.323 343.1306@5.416 5.416 2 343.1306 855.5753@5.4234 5.4234 10 855.5753 851.6518@5.4220004 5.4220004 3 851.6518 463.3058@5.42 5.42 2 463.3058 819.5189@5.431572 5.431572 14 819.5189 212.0568@5.4335003 5.4335003 2 212.0568 806.0609@5.457818 5.457818 11 806.0609 916.5518@5.4306664 5.4306664 3 916.5518 942.5613@5.4230003 5.4230003 2 942.5613 447.3356@5.457599 5.457599 10 447.3356 777.5326@5.438214 5.438214 14 777.5326 939.5594@5.467 5.467 5 939.5594 976.5552@5.461 5.461 1 976.5552 437.2911@5.4603333 5.4603333 6 437.2911 869.6563@5.4658885 5.4658885 9 869.6563 902.542@5.469667 5.469667 6 902.542 982.6015@5.469 5.469 1 982.6015 838.015@5.473 5.473 1 838.015 272.012@5.473 5.473 1 272.012 440.9907@5.472125 5.472125 8 440.9907 397.0278@5.4721427 5.4721427 7 397.0278 910.5625@5.4746666 5.4746666 3 910.5625 731.546@5.506 5.506 6 731.546 819.0687@5.4895 5.4895 2 819.0687 806.0624@5.4855595 5.4855595 59 806.0624 731.5465@5.6255455 5.6255455 11 731.5465 916.5355@5.5565 5.5565 2 916.5355 158.1111@5.659 5.659 1 158.1111 1186.3544@5.7045 5.7045 22 1186.3544 1186.8563@5.703875 5.703875 32 1186.8563 857.5821@5.7174997 5.7174997 2 857.5821 987.8226@5.7155 5.7155 4 987.8226 985.5211@5.7185197 5.7185197 25 985.5211 941.5338@5.7185 5.7185 2 941.5338 647.885@5.7196317 5.7196317 19 647.885 927.5889@5.7235 5.7235 6 927.5889 885.5821@5.7189994 5.7189994 8 885.5821 1381.7292@5.714286 5.714286 21 1381.7292 1033.6451@5.7329817 5.7329817 58 1033.6451 861.5983@5.7963843 5.7963843 39 861.5983 907.5103@5.8032627 5.8032627 19 907.5103 1010.6291@6.0547223 6.0547223 43 1010.6291 952.59@6.0625 6.0625 2 952.59 357.1105@6.09 6.09 2 357.1105 230.0773@6.095177 6.095177 17 230.0773 521.195@6.2025 6.2025 2 521.195 526.151@6.2095 6.2095 14 526.151 411.2979@6.3835 6.3835 2 411.2979 366.9945@6.48075 6.48075 8 366.9945 345.0127@6.500143 6.500143 21 345.0127 187.1325@6.524313 6.524313 16 187.1325 688.5516@6.5657697 6.5657697 13 688.5516 810.5948@6.551334 6.551334 3 810.5948 347.0318@6.554 6.554 2 347.0318 233.1274@6.629218 6.629218 23 233.1274 131.0653@6.635138 6.635138 29 131.0653 577.3311@6.669769 6.669769 13 577.3311 1350.2314@6.6859226 6.6859226 26 1350.2314 1428.9264@6.686823 6.686823 17 1428.9264 718.2953@6.6853023 6.6853023 43 718.2953 1270.197@6.6857886 6.6857886 61 1270.197 1515.9543@6.6857386 6.6857386 61 1515.9543 1595.6564@6.6875 6.6875 10 1595.6564 1119.4572@6.685212 6.685212 33 1119.4572 1442.5872@6.6873336 6.6873336 3 1442.5872 956.3956@6.686401 6.686401 45 956.3956 1523.2844@6.6867275 6.6867275 11 1523.2844 1559.1334@6.686928 6.686928 28 1559.1334 755.2534@6.711 6.711 1 755.2534 731.6023@6.723 6.723 1 731.6023 217.1432@6.8030453 6.8030453 22 217.1432 332.1089@6.958 6.958 3 332.1089 327.1534@6.9545 6.9545 4 327.1534 371.1798@7.032 7.032 3 371.1798 354.1529@7.0343337 7.0343337 3 354.1529 317.1846@7.0597496 7.0597496 16 317.1846 174.1183@7.0684 7.0684 20 174.1183 785.594@7.092 7.092 1 785.594 718.0966@7.0974283 7.0974283 14 718.0966 721.0925@7.0977497 7.0977497 4 721.0925 550.0463@7.0972223 7.0972223 9 550.0463 516.1086@7.10225 7.10225 4 516.1086 563.2787@7.0979996 7.0979996 3 563.2787 238.1001@7.1046247 7.1046247 8 238.1001 785.641@7.104 7.104 1 785.641 420.1612@7.099 7.099 4 420.1612 415.2059@7.1157784 7.1157784 9 415.2059 459.2323@7.183286 7.183286 7 459.2323 607.305@7.20525 7.20525 4 607.305 503.2585@7.2549996 7.2549996 5 503.2585 651.3326@7.3120003 7.3120003 2 651.3326 547.2846@7.3202496 7.3202496 4 547.2846 301.19@7.4065 7.4065 2 301.19 281.0939@7.45725 7.45725 4 281.0939 244.1539@7.7877493 7.7877493 16 244.1539 1380.007@7.795889 7.795889 9 1380.007 1033.0088@7.7900276 7.7900276 37 1033.0088 143.975@7.7924733 7.7924733 95 143.975 158.0694@7.8192983 7.8192983 91 158.0694 343.0069@7.8065715 7.8065715 7 343.0069 786.6571@7.816 7.816 4 786.6571 798.6614@7.800932 7.800932 44 798.6614 343.0071@7.8857503 7.8857503 8 343.0071 691.0081@7.8876667 7.8876667 6 691.0081 813.6792@7.8345456 7.8345456 11 813.6792 798.6615@7.8511662 7.8511662 6 798.6615 711.9856@7.9314003 7.9314003 5 711.9856 228.1479@8.256 8.256 7 228.1479 352.0049@8.564222 8.564222 9 352.0049 129.0791@8.941001 8.941001 3 129.0791 146.142@8.964821 8.964821 39 146.142 178.1215@10.469111 10.469111 9 178.1215 735.1297@0.70350003 0.70350003 8 735.1297 665.0519@0.70474994 0.70474994 8 665.0519 353.0935@0.7614445 0.7614445 18 353.0935 429.3723@0.76169217 0.76169217 39 429.3723 632.1512@0.7738571 0.7738571 7 632.1512 247.0156@0.7816667 0.7816667 3 247.0156 231.0208@0.8546667 0.8546667 6 231.0208 268.1836@0.89262503 0.89262503 8 268.1836 1221.8387@0.9954911 0.9954911 57 1221.8387 1225.7979@0.9987599 0.9987599 25 1225.7979 1025.3108@1.005 1.005 1 1025.3108 1134.2714@1.0065 1.0065 2 1134.2714 1222.3337@1.0062 1.0062 30 1222.3337 951.2909@1.0085 1.0085 2 951.2909 878.2741@1.013 1.013 1 878.2741 C30 H63 N5 O S 1.0181044 86 541.4775 [ C30 H63 N5 O S, mfg=69.45, overall=69.45 ] 820.2325@1.02025 1.02025 4 820.2325 680.4657@1.023 1.023 7 680.4657 638.5673@1.0228418 1.0228418 57 638.5673 631.5185@1.022 1.022 37 631.5185 611.1586@1.0246487 1.0246487 37 611.1586 672.1922@1.031 1.031 1 672.1922 597.1284@1.0365999 1.0365999 5 597.1284 582.2013@1.038 1.038 1 582.2013 435.3354@1.0385417 1.0385417 48 435.3354 466.1193@1.048 1.048 2 466.1193 507.1797@1.048 1.048 1 507.1797 168.1507@1.048 1.048 1 168.1507 856.207@1.0455999 1.0455999 5 856.207 623.5368@1.0322499 1.0322499 4 623.5368 707.1627@1.058087 1.058087 23 707.1627 563.2895@1.06025 1.06025 12 563.2895 685.3504@1.0610715 1.0610715 14 685.3504 532.2732@1.057625 1.057625 8 532.2732 394.3785@1.0692002 1.0692002 10 394.3785 380.364@1.0676 1.0676 5 380.364 164.0845@1.1098334 1.1098334 6 164.0845 446.3753@1.068889 1.068889 9 446.3753 586.4261@1.113182 1.113182 22 586.4261 408.3649@1.0703334 1.0703334 3 408.3649 216.1782@1.112 1.112 15 216.1782 598.4576@1.0820817 1.0820817 49 598.4576 924.7941@1.087814 1.087814 43 924.7941 440.3836@1.0790285 1.0790285 35 440.3836 448.0962@1.063 1.063 2 448.0962 382.3356@1.077 1.077 3 382.3356 450.367@1.0755999 1.0755999 5 450.367 560.4799@1.0813333 1.0813333 3 560.4799 128.0844@1.111375 1.111375 8 128.0844 418.3431@1.0872381 1.0872381 21 418.3431 634.536@1.0795263 1.0795263 19 634.536 436.3552@1.0810455 1.0810455 22 436.3552 623.5228@1.053625 1.053625 16 623.5228 524.4433@1.0862306 1.0862306 26 524.4433 134.1106@1.0831177 1.0831177 17 134.1106 864.5055@1.0847143 1.0847143 7 864.5055 166.1352@1.0885 1.0885 2 166.1352 154.136@1.083 1.083 5 154.136 553.4549@1.0873333 1.0873333 3 553.4549 380.3279@1.086 1.086 3 380.3279 392.364@1.0789167 1.0789167 12 392.364 654.5544@1.0893888 1.0893888 18 654.5544 641.5577@1.0888422 1.0888422 19 641.5577 212.179@1.1159999 1.1159999 2 212.179 632.5052@1.0775001 1.0775001 6 632.5052 184.1463@1.099225 1.099225 40 184.1463 502.401@1.0889665 1.0889665 30 502.401 182.1676@1.126 1.126 16 182.1676 510.406@1.093 1.093 1 510.406 194.1675@1.0915 1.0915 2 194.1675 334.2864@1.0942 1.0942 5 334.2864 1201.3263@1.0944108 1.0944108 56 1201.3263 586.4949@1.1106668 1.1106668 6 586.4949 668.3248@1.09275 1.09275 16 668.3248 214.1215@1.0958182 1.0958182 22 214.1215 108.0935@1.182 1.182 7 108.0935 440.2007@1.0985199 1.0985199 25 440.2007 924.7955@1.0940001 1.0940001 2 924.7955 294.1104@1.1010001 1.1010001 20 294.1104 432.3598@1.0927501 1.0927501 4 432.3598 506.4288@1.1126667 1.1126667 6 506.4288 928.7177@1.108143 1.108143 7 928.7177 984.7763@1.101 1.101 14 984.7763 982.7602@1.1095527 1.1095527 38 982.7602 238.2296@1.1115681 1.1115681 44 238.2296 951.7964@1.1117742 1.1117742 31 951.7964 472.2595@1.1135 1.1135 6 472.2595 454.3661@1.1125 1.1125 24 454.3661 542.3959@1.10575 1.10575 24 542.3959 170.0951@1.1204444 1.1204444 9 170.0951 258.1876@1.1240952 1.1240952 21 258.1876 260.201@1.1238002 1.1238002 30 260.201 247.1431@1.1237501 1.1237501 48 247.1431 322.2507@1.11325 1.11325 20 322.2507 312.2651@1.1190509 1.1190509 59 312.2651 316.1069@1.1252223 1.1252223 18 316.1069 586.4953@1.1166667 1.1166667 9 586.4953 238.1529@1.1346 1.1346 5 238.1529 657.4876@1.0764445 1.0764445 9 657.4876 635.3626@1.136 1.136 1 635.3626 452.3797@1.1293334 1.1293334 6 452.3797 501.402@1.0796666 1.0796666 3 501.402 552.4114@1.1484545 1.1484545 11 552.4114 278.1148@1.1435001 1.1435001 2 278.1148 698.3196@1.1475651 1.1475651 46 698.3196 853.4221@1.1543334 1.1543334 3 853.4221 442.3523@1.142 1.142 10 442.3523 614.3025@1.15475 1.15475 4 614.3025 326.2836@1.1195295 1.1195295 17 326.2836 321.2873@1.1723077 1.1723077 26 321.2873 154.1355@1.18 1.18 6 154.1355 348.1928@1.1595 1.1595 4 348.1928 188.1077@1.174875 1.174875 8 188.1077 438.3377@1.1124793 1.1124793 48 438.3377 355.1169@1.1703777 1.1703777 45 355.1169 200.1794@1.1804003 1.1804003 35 200.1794 214.1571@1.2058182 1.2058182 11 214.1571 202.159@1.1838571 1.1838571 21 202.159 236.1791@1.144 1.144 10 236.1791 200.0486@1.1906667 1.1906667 9 200.0486 903.8201@1.2078459 1.2078459 26 903.8201 424.3397@1.199 1.199 1 424.3397 171.1622@1.201 1.201 1 171.1622 522.4238@1.214 1.214 1 522.4238 100.0892@1.2142 1.2142 5 100.0892 613.5269@1.1073499 1.1073499 20 613.5269 196.1471@1.2372779 1.2372779 18 196.1471 230.1061@1.377 1.377 6 230.1061 300.1112@1.228 1.228 12 300.1112 278.2246@1.26825 1.26825 4 278.2246 317.1268@1.3497082 1.3497082 24 317.1268 360.1325@1.3768123 1.3768123 32 360.1325 233.1272@1.3744999 1.3744999 6 233.1272 674.2499@1.386 1.386 3 674.2499 360.1326@1.3961202 1.3961202 25 360.1326 278.1274@1.422125 1.422125 8 278.1274 525.4257@1.4666667 1.4666667 3 525.4257 106.078@1.5304999 1.5304999 18 106.078 180.065@1.5445 1.5445 2 180.065 152.1199@1.5553335 1.5553335 3 152.1199 315.1348@1.5527778 1.5527778 18 315.1348 300.1115@1.6304445 1.6304445 18 300.1115 128.0583@1.5699999 1.5699999 2 128.0583 699.0869@1.5722609 1.5722609 23 699.0869 205.0217@1.61725 1.61725 4 205.0217 613.4756@1.715185 1.715185 27 613.4756 145.0741@1.7490001 1.7490001 2 145.0741 127.0997@1.7530667 1.7530667 15 127.0997 166.0491@1.7182944 1.7182944 34 166.0491 185.0807@1.947 1.947 1 185.0807 789.4511@1.9983333 1.9983333 3 789.4511 605.4044@1.9984 1.9984 10 605.4044 429.3726@2.0000572 2.0000572 35 429.3726 413.1714@2.7326667 2.7326667 15 413.1714 306.0197@2.8190832 2.8190832 12 306.0197 495.0714@2.8295 2.8295 6 495.0714 597.0928@2.8019564 2.8019564 23 597.0928 375.3346@2.871949 2.871949 39 375.3346 289.0024@2.8788464 2.8788464 13 289.0024 241.0976@2.8533335 2.8533335 15 241.0976 289.0022@2.9615002 2.9615002 4 289.0022 335.0072@2.9632502 2.9632502 16 335.0072 406.069@2.8801537 2.8801537 13 406.069 206.1429@3.191 3.191 2 206.1429 Phenanthrene-4,5-dicarboxylate + 3.291146 3.291146 C18252 55 266.0579 Phenanthrene-4,5-dicarboxylate [ C16 H10 O4, mfg=72.78, db=72.69, overall=72.73, CAS ID=5462-82-8, KEGG ID=C18252, METLIN ID=72096 ] 5462-82-8 256.1069@3.281 3.281 1 256.1069 159.0894@3.3402 3.3402 5 159.0894 203.0803@3.374667 3.374667 3 203.0803 127.0738@4.009 4.009 1 127.0738 371.1516@4.0287504 4.0287504 4 371.1516 324.1643@4.26825 4.26825 8 324.1643 310.1485@4.2974997 4.2974997 8 310.1485 534.3929@4.2865 4.2865 4 534.3929 296.1328@4.3426666 4.3426666 6 296.1328 405.1574@4.3562503 4.3562503 4 405.1574 118.0782@4.5037503 4.5037503 4 118.0782 887.5597@4.529 4.529 1 887.5597 791.4856@4.58425 4.58425 12 791.4856 775.5501@4.599 4.599 1 775.5501 721.5038@4.6115294 4.6115294 17 721.5038 99.0683@4.6285 4.6285 2 99.0683 141.0791@4.9245234 4.9245234 21 141.0791 463.1843@5.2414994 5.2414994 22 463.1843 834.5966@5.3706956 5.3706956 23 834.5966 817.5024@5.326058 5.326058 17 817.5024 839.6144@5.424125 5.424125 16 839.6144 887.512@5.3375998 5.3375998 5 887.512 865.63@5.3935556 5.3935556 9 865.63 162.116@5.476667 5.476667 3 162.116 499.2686@5.574 5.574 7 499.2686 357.2882@5.6936545 5.6936545 26 357.2882 1160.3385@5.708111 5.708111 9 1160.3385 806.0705@5.6607504 5.6607504 4 806.0705 773.0545@5.71 5.71 1 773.0545 899.562@5.717115 5.717115 35 899.562 791.5777@5.7134995 5.7134995 12 791.5777 849.5643@5.7991366 5.7991366 22 849.5643 882.4978@5.805393 5.805393 28 882.4978 984.5933@5.8627696 5.8627696 13 984.5933 147.1064@5.9653993 5.9653993 25 147.1064 225.0384@6.0583434 6.0583434 32 225.0384 455.3248@6.155648 6.155648 37 455.3248 146.0407@6.3467684 6.3467684 39 146.0407 385.2828@6.3839636 6.3839636 28 385.2828 728.5825@6.568428 6.568428 7 728.5825 570.3506@6.5999994 6.5999994 7 570.3506 688.5511@6.6292496 6.6292496 4 688.5511 517.3145@6.621864 6.621864 22 517.3145 603.3993@6.638333 6.638333 6 603.3993 1064.6776@6.644 6.644 4 1064.6776 599.3669@6.6520004 6.6520004 6 599.3669 761.5784@6.66 6.66 2 761.5784 823.371@6.6584 6.6584 5 823.371 1321.5363@6.686363 6.686363 11 1321.5363 1111.463@6.686033 6.686033 63 1111.463 1436.9215@6.685695 6.685695 59 1436.9215 412.1994@6.685 6.685 1 412.1994 1451.5786@6.6865716 6.6865716 7 1451.5786 1440.5848@6.6862493 6.6862493 24 1440.5848 772.3486@6.6865735 6.6865735 61 772.3486 760.1906@6.691304 6.691304 23 760.1906 525.1157@6.6888 6.6888 5 525.1157 1255.6086@6.7058263 6.7058263 69 1255.6086 816.3511@6.7145624 6.7145624 16 816.3511 741.4178@6.71358 6.71358 31 741.4178 755.9172@6.722 6.722 1 755.9172 591.4617@6.7260003 6.7260003 3 591.4617 777.3945@6.7290998 6.7290998 30 777.3945 753.3974@6.7365003 6.7365003 8 753.3974 85.0527@6.753 6.753 1 85.0527 238.0993@6.8031816 6.8031816 11 238.0993 188.1163@6.8184996 6.8184996 2 188.1163 402.0063@7.009078 7.009078 13 402.0063 83.037@7.1022315 7.1022315 108 83.037 204.1238@7.1025453 7.1025453 11 204.1238 123.0173@7.3273125 7.3273125 16 123.0173 165.0797@7.443842 7.443842 19 165.0797 264.105@7.5559998 7.5559998 3 264.105 176.099@7.645 7.645 1 176.099 1154.9512@7.7770004 7.7770004 3 1154.9512 784.9471@7.823 7.823 3 784.9471 301.0127@7.854913 7.854913 23 301.0127 202.1323@8.046734 8.046734 15 202.1323 268.1183@8.138165 8.138165 30 268.1183 350.0064@8.512777 8.512777 9 350.0064 472.9889@8.57525 8.57525 4 472.9889 128.0951@9.246 9.246 1 128.0951 174.1368@9.350333 9.350333 3 174.1368 192.1478@10.70965 10.70965 20 192.1478 191.0258@0.7687619 0.7687619 21 191.0258 233.1063@0.822 0.822 2 233.1063 313.0624@0.82425 0.82425 4 313.0624 366.329@0.8324286 0.8324286 7 366.329 1131.289@1.0124285 1.0124285 35 1131.289 1224.3289@1.0079999 1.0079999 4 1224.3289 1297.3668@1.0122501 1.0122501 4 1297.3668 1294.3535@1.0103749 1.0103749 8 1294.3535 931.7814@1.020875 1.020875 8 931.7814 935.7546@1.016579 1.016579 38 935.7546 746.1441@1.0216666 1.0216666 3 746.1441 555.4558@1.0215385 1.0215385 13 555.4558 855.2117@1.0280001 1.0280001 17 855.2117 595.1341@1.0258 1.0258 5 595.1341 424.3534@1.0541667 1.0541667 6 424.3534 557.1659@1.0385 1.0385 6 557.1659 781.1817@1.0474516 1.0474516 31 781.1817 150.0351@1.049 1.049 4 150.0351 914.7727@1.0393333 1.0393333 6 914.7727 340.2603@1.0804999 1.0804999 2 340.2603 522.0916@1.0718572 1.0718572 14 522.0916 294.256@1.0707142 1.0707142 14 294.256 375.2281@1.0796666 1.0796666 3 375.2281 560.1232@1.077 1.077 1 560.1232 399.3027@1.081 1.081 1 399.3027 366.3236@1.0848 1.0848 5 366.3236 138.1425@1.0857058 1.0857058 17 138.1425 406.3091@1.0930834 1.0930834 12 406.3091 156.1153@1.110025 1.110025 40 156.1153 142.0994@1.1305834 1.1305834 12 142.0994 412.3166@1.107 1.107 1 412.3166 646.4259@1.1094 1.1094 15 646.4259 428.3534@1.1115 1.1115 4 428.3534 643.5005@1.1219501 1.1219501 40 643.5005 630.4486@1.1255217 1.1255217 23 630.4486 550.4609@1.1254444 1.1254444 9 550.4609 604.4351@1.1272353 1.1272353 17 604.4351 646.2277@1.2145001 1.2145001 6 646.2277 601.5007@1.138 1.138 2 601.5007 797.5249@1.1389999 1.1389999 5 797.5249 478.3302@1.1438695 1.1438695 23 478.3302 361.284@1.1467693 1.1467693 26 361.284 374.3035@1.1613333 1.1613333 3 374.3035 326.2455@1.1326215 1.1326215 37 326.2455 230.0952@1.154 1.154 7 230.0952 354.3282@1.1588 1.1588 5 354.3282 248.1785@1.1504211 1.1504211 19 248.1785 293.2215@1.1673751 1.1673751 8 293.2215 358.3082@1.1595 1.1595 2 358.3082 230.1888@1.1737272 1.1737272 11 230.1888 501.3686@1.185 1.185 1 501.3686 285.199@1.2046667 1.2046667 3 285.199 100.0521@1.1911538 1.1911538 13 100.0521 301.1886@1.1993333 1.1993333 6 301.1886 248.1279@1.2036667 1.2036667 3 248.1279 242.1889@1.2036251 1.2036251 8 242.1889 1,25-Dihydroxyvitamin D3-26,23-lactone 1.2382627 76 444.2882 1,25-Dihydroxyvitamin D3-26,23-lactone [ C27 H40 O5, mfg=58.24, db=58.21, overall=58.22, CAS ID=81203-50-1, HMP ID=HMDB00969, METLIN ID=58013 ] 81203-50-1 508.3777@1.2635623 1.2635623 16 508.3777 282.2201@1.1195625 1.1195625 16 282.2201 132.096@1.2693334 1.2693334 3 132.096 665.242@1.311 1.311 1 665.242 155.0954@1.3169999 1.3169999 4 155.0954 265.1667@1.3364999 1.3364999 2 265.1667 664.2382@1.365 1.365 1 664.2382 166.0788@1.3742307 1.3742307 13 166.0788 264.0785@1.375 1.375 1 264.0785 664.2395@1.435 1.435 1 664.2395 333.141@1.441 1.441 1 333.141 374.0541@1.468 1.468 1 374.0541 222.1479@1.48525 1.48525 8 222.1479 181.0686@1.5569999 1.5569999 2 181.0686 217.1001@1.567 1.567 7 217.1001 367.1828@1.5700556 1.5700556 18 367.1828 246.1088@1.5748334 1.5748334 6 246.1088 234.0006@1.5895 1.5895 16 234.0006 159.1259@1.595 1.595 5 159.1259 350.1485@1.7225 1.7225 2 350.1485 267.1496@1.712 1.712 25 267.1496 158.0754@1.7144 1.7144 5 158.0754 350.1487@1.7516667 1.7516667 3 350.1487 350.1484@1.8255 1.8255 2 350.1484 616.2533@1.8678333 1.8678333 18 616.2533 318.1215@1.9060912 1.9060912 11 318.1215 616.2535@1.9710001 1.9710001 7 616.2535 616.253@2.0115 2.0115 2 616.253 413.2972@2.13575 2.13575 4 413.2972 Muramic acid 2.161223 C06470 54 251.0995 Muramic acid [ C9 H17 N O7, mfg=81.58, db=81.55, overall=81.56, CAS ID=1114-41-6, KEGG ID=C06470, HMP ID=HMDB03254, METLIN ID=3381 ] 1114-41-6 712.0603@2.40275 2.40275 8 712.0603 309.1239@2.735074 2.735074 27 309.1239 677.1636@2.746 2.746 3 677.1636 223.0871@2.7866669 2.7866669 3 223.0871 274.041@2.754 2.754 3 274.041 321.9932@2.8153331 2.8153331 3 321.9932 573.1893@2.7715 2.7715 2 573.1893 290.0038@2.9008574 2.9008574 14 290.0038 349.024@2.8516874 2.8516874 16 349.024 334.0843@2.857 2.857 1 334.0843 126.032@2.8815715 2.8815715 7 126.032 223.0871@2.8552 2.8552 5 223.0871 579.1485@2.8987143 2.8987143 7 579.1485 320.9919@2.932 2.932 7 320.9919 415.3095@2.9255 2.9255 2 415.3095 274.9865@2.9865716 2.9865716 7 274.9865 417.0303@2.9757998 2.9757998 15 417.0303 376.1388@3.0022998 3.0022998 20 376.1388 295.1076@3.1155 3.1155 2 295.1076 199.1386@3.1955 3.1955 8 199.1386 161.0691@3.4014 3.4014 5 161.0691 577.6531@3.6720908 3.6720908 11 577.6531 345.2463@4.000406 4.000406 37 345.2463 348.0245@4.1974998 4.1974998 8 348.0245 113.0588@4.331667 4.331667 3 113.0588 776.5546@4.5802 4.5802 5 776.5546 286.2653@4.604 4.604 1 286.2653 767.5453@4.6605997 4.6605997 5 767.5453 752.5548@4.645818 4.645818 11 752.5548 233.1638@4.7033334 4.7033334 3 233.1638 266.1638@5.22125 5.22125 4 266.1638 914.534@5.3395004 5.3395004 4 914.534 892.6493@5.357 5.357 7 892.6493 808.581@5.3433633 5.3433633 11 808.581 872.5362@5.3745 5.3745 8 872.5362 831.0692@5.379667 5.379667 3 831.0692 939.5226@5.3855557 5.3855557 9 939.5226 861.5055@5.382 5.382 1 861.5055 818.0626@5.3795996 5.3795996 10 818.0626 940.5356@5.4065714 5.4065714 7 940.5356 914.5353@5.421 5.421 1 914.5353 453.3815@5.4603333 5.4603333 6 453.3815 825.6244@5.4556 5.4556 5 825.6244 1171.8337@5.5005455 5.5005455 11 1171.8337 781.0529@5.531334 5.531334 15 781.0529 843.6439@5.5750003 5.5750003 3 843.6439 771.5794@5.5332856 5.5332856 7 771.5794 705.5312@5.652 5.652 9 705.5312 729.5316@5.5720005 5.5720005 9 729.5316 758.5665@5.5805 5.5805 6 758.5665 1241.8391@5.707 5.707 2 1241.8391 1221.3573@5.705 5.705 1 1221.3573 854.5756@5.718562 5.718562 16 854.5756 391.2722@5.7206473 5.7206473 17 391.2722 293.9966@5.7245 5.7245 6 293.9966 798.5362@5.8726926 5.8726926 13 798.5362 622.3354@5.8658 5.8658 5 622.3354 782.5627@5.926111 5.926111 27 782.5627 779.5446@5.983667 5.983667 3 779.5446 175.0592@5.9859653 5.9859653 87 175.0592 279.9906@6.2377195 6.2377195 25 279.9906 717.5657@6.234 6.234 1 717.5657 743.5825@6.2307277 6.2307277 11 743.5825 54.0466@6.2355 6.2355 14 54.0466 145.0851@6.25425 6.25425 4 145.0851 285.1951@6.4011545 6.4011545 13 285.1951 387.2985@6.4412513 6.4412513 20 387.2985 173.1164@6.482 6.482 5 173.1164 203.1277@6.5009003 6.5009003 20 203.1277 781.5612@6.5547504 6.5547504 8 781.5612 147.0897@6.7620006 6.7620006 7 147.0897 601.3407@6.640893 6.640893 82 601.3407 119.0583@6.636616 6.636616 13 119.0583 974.3782@6.678 6.678 6 974.3782 540.1087@6.6784706 6.6784706 17 540.1087 1548.1467@6.685 6.685 2 1548.1467 722.2813@6.685238 6.685238 38 722.2813 1111.7972@6.686001 6.686001 38 1111.7972 1357.8873@6.685 6.685 3 1357.8873 1429.9257@6.6855 6.6855 2 1429.9257 1515.6309@6.685272 6.685272 22 1515.6309 1112.1321@6.6857996 6.6857996 5 1112.1321 1667.6891@6.6883335 6.6883335 3 1667.6891 1212.9803@6.687269 6.687269 52 1212.9803 1090.4209@6.685277 6.685277 47 1090.4209 1548.6403@6.6885 6.6885 4 1548.6403 754.2515@6.6873746 6.6873746 8 754.2515 792.199@6.72 6.72 12 792.199 294.0189@6.734978 6.734978 48 294.0189 197.9947@6.8433332 6.8433332 9 197.9947 598.3731@6.871534 6.871534 15 598.3731 696.1153@7.1076665 7.1076665 3 696.1153 784.6459@7.104866 7.104866 30 784.6459 756.613@7.0800004 7.0800004 15 756.613 285.1219@7.338333 7.338333 3 285.1219 146.1134@7.46 7.46 1 146.1134 374.2551@7.6305 7.6305 2 374.2551 1036.0083@7.8054285 7.8054285 7 1036.0083 143.975@7.8152504 7.8152504 4 143.975 862.5059@7.808143 7.808143 7 862.5059 240.1482@8.453297 8.453297 27 240.1482 202.1436@8.887 8.887 2 202.1436 146.1056@11.190666 11.190666 3 146.1056 288.0304@0.744 0.744 1 288.0304 209.9966@0.77544445 0.77544445 9 209.9966 95.0369@0.84575 0.84575 4 95.0369 288.0299@0.874 0.874 1 288.0299 323.0678@0.8746667 0.8746667 3 323.0678 1075.2961@1.0073333 1.0073333 3 1075.2961 909.2327@1.0124545 1.0124545 22 909.2327 912.2178@1.0127778 1.0127778 9 912.2178 707.5081@1.0185384 1.0185384 13 707.5081 663.5772@1.0214285 1.0214285 14 663.5772 762.1958@1.0181429 1.0181429 7 762.1958 967.7608@1.0210755 1.0210755 53 967.7608 665.3613@1.0218198 1.0218198 50 665.3613 581.2004@1.0354 1.0354 10 581.2004 653.1217@1.0354 1.0354 5 653.1217 387.335@1.046 1.046 5 387.335 583.4142@1.0792001 1.0792001 15 583.4142 577.2426@1.0545 1.0545 6 577.2426 571.3729@1.056 1.056 8 571.3729 424.3009@1.0598749 1.0598749 8 424.3009 564.3983@1.0604998 1.0604998 12 564.3983 532.3525@1.0619544 1.0619544 22 532.3525 359.2317@1.0613077 1.0613077 26 359.2317 344.2217@1.0669446 1.0669446 18 344.2217 345.2538@1.1115 1.1115 4 345.2538 286.2235@1.0790714 1.0790714 14 286.2235 948.7957@1.0724117 1.0724117 17 948.7957 136.1254@1.108 1.108 2 136.1254 322.2513@1.087 1.087 2 322.2513 499.3887@1.0895714 1.0895714 7 499.3887 430.3443@1.0975001 1.0975001 20 430.3443 483.1095@1.0904118 1.0904118 17 483.1095 238.1927@1.0875 1.0875 10 238.1927 573.352@1.0961429 1.0961429 7 573.352 536.4106@1.1022501 1.1022501 4 536.4106 514.2306@1.094 1.094 6 514.2306 82.078@1.0976001 1.0976001 20 82.078 490.3669@1.1270001 1.1270001 2 490.3669 927.8249@1.1203334 1.1203334 6 927.8249 383.3043@1.109 1.109 1 383.3043 134.0729@1.1056 1.1056 5 134.0729 641.3886@1.1103938 1.1103938 33 641.3886 220.1467@1.1505417 1.1505417 48 220.1467 319.3087@1.1184546 1.1184546 11 319.3087 354.2186@1.1220001 1.1220001 3 354.2186 188.156@1.1 1.1 3 188.156 576.476@1.12975 1.12975 4 576.476 631.4285@1.131 1.131 2 631.4285 671.5178@1.1470001 1.1470001 2 671.5178 495.3562@1.1473334 1.1473334 24 495.3562 352.2024@1.1484001 1.1484001 5 352.2024 535.2057@1.1558334 1.1558334 18 535.2057 453.2589@1.1558748 1.1558748 8 453.2589 446.3404@1.1425 1.1425 6 446.3404 156.1158@1.181 1.181 1 156.1158 403.3297@1.1713183 1.1713183 22 403.3297 365.2809@1.2025 1.2025 12 365.2809 144.1147@1.2076316 1.2076316 38 144.1147 58.0425@1.210111 1.210111 9 58.0425 342.3244@1.2542915 1.2542915 24 342.3244 447.2247@1.2461427 1.2461427 7 447.2247 301.1319@1.3585833 1.3585833 24 301.1319 686.2586@1.3898791 1.3898791 91 686.2586 197.1419@1.4096938 1.4096938 49 197.1419 463.1755@1.3992633 1.3992633 38 463.1755 569.3026@1.4546424 1.4546424 28 569.3026 210.1372@1.4841251 1.4841251 16 210.1372 277.2407@1.5225714 1.5225714 7 277.2407 662.0527@1.572 1.572 1 662.0527 644.1516@1.5834546 1.5834546 44 644.1516 648.243@1.58612 1.58612 25 648.243 614.2359@1.6047273 1.6047273 11 614.2359 258.0872@1.6165 1.6165 2 258.0872 569.4501@1.6304666 1.6304666 15 569.4501 166.0494@1.6988001 1.6988001 5 166.0494 150.0544@1.704111 1.704111 36 150.0544 117.0786@1.7314001 1.7314001 5 117.0786 194.1081@1.7752501 1.7752501 4 194.1081 138.0192@1.79 1.79 1 138.0192 202.0854@1.831 1.831 2 202.0854 220.096@2.0056667 2.0056667 3 220.096 207.092@2.1632273 2.1632273 22 207.092 189.0752@2.1603518 2.1603518 37 189.0752 307.1447@2.1620438 2.1620438 23 307.1447 260.088@2.8344998 2.8344998 2 260.088 180.0831@2.8534446 2.8534446 18 180.0831 242.1022@2.9069 2.9069 20 242.1022 144.0424@2.8870454 2.8870454 22 144.0424 275.9881@2.8965926 2.8965926 27 275.9881 184.0741@2.878 2.878 1 184.0741 124.054@2.8790002 2.8790002 2 124.054 199.0953@2.902077 2.902077 13 199.0953 628.2011@2.8926666 2.8926666 3 628.2011 759.2119@2.8794 2.8794 5 759.2119 260.1717@2.927 2.927 1 260.1717 170.0394@2.9048 2.9048 5 170.0394 184.0743@2.975 2.975 1 184.0743 156.0656@3.1273334 3.1273334 3 156.0656 120.0209@3.275 3.275 1 120.0209 145.0738@3.2813075 3.2813075 13 145.0738 454.3403@3.4589999 3.4589999 4 454.3403 320.1033@3.594 3.594 1 320.1033 204.0761@3.6005 3.6005 2 204.0761 470.1666@3.7745454 3.7745454 11 470.1666 248.0825@3.691 3.691 2 248.0825 168.09@4.07975 4.07975 4 168.09 190.1113@4.101 4.101 2 190.1113 214.137@4.4706664 4.4706664 3 214.137 263.1896@4.47025 4.47025 4 263.1896 245.1785@4.4707503 4.4707503 4 245.1785 259.1942@4.4735003 4.4735003 4 259.1942 277.205@4.4727497 4.4727497 4 277.205 249.1736@4.54925 4.54925 4 249.1736 214.1366@4.54925 4.54925 4 214.1366 795.5151@4.5945 4.5945 6 795.5151 777.565@4.623 4.623 29 777.565 245.179@4.626 4.626 4 245.179 231.1631@4.6254997 4.6254997 4 231.1631 263.1895@4.6257496 4.6257496 4 263.1895 249.1735@4.626 4.626 4 249.1735 768.5497@4.6666665 4.6666665 3 768.5497 293.1993@4.7015 4.7015 4 293.1993 200.1212@4.71575 4.71575 4 200.1212 235.158@4.717 4.717 4 235.158 279.184@4.7475004 4.7475004 4 279.184 265.1688@4.8346667 4.8346667 3 265.1688 279.184@4.8774996 4.8774996 2 279.184 293.1994@5.18775 5.18775 4 293.1994 279.1841@5.19375 5.19375 4 279.1841 293.1995@5.3605003 5.3605003 4 293.1995 766.5707@5.327889 5.327889 9 766.5707 780.5507@5.363 5.363 1 780.5507 755.5468@5.4101996 5.4101996 10 755.5468 791.0551@5.402875 5.402875 16 791.0551 871.5324@5.373 5.373 2 871.5324 279.184@5.3805 5.3805 4 279.184 787.6006@5.484333 5.484333 3 787.6006 791.581@5.3358884 5.3358884 9 791.581 784.5812@5.4589996 5.4589996 3 784.5812 812.6111@5.5294666 5.5294666 15 812.6111 745.5627@5.6213336 5.6213336 9 745.5627 787.0652@5.715204 5.715204 49 787.0652 434.7574@5.716562 5.716562 64 434.7574 241.9188@5.7549043 5.7549043 21 241.9188 187.0636@5.8386 5.8386 5 187.0636 743.5824@5.8608336 5.8608336 6 743.5824 733.5612@5.871125 5.871125 8 733.5612 311.0337@5.9803333 5.9803333 6 311.0337 136.0249@6.0199094 6.0199094 11 136.0249 135.0685@6.048 6.048 1 135.0685 261.0778@6.072789 6.072789 19 261.0778 811.6083@6.232875 6.232875 8 811.6083 795.6126@6.2316 6.2316 5 795.6126 385.2821@6.238 6.238 2 385.2821 198.1128@6.2443075 6.2443075 13 198.1128 109.0525@6.280333 6.280333 3 109.0525 310.1979@6.3506665 6.3506665 3 310.1979 357.2516@6.417375 6.417375 8 357.2516 57.0577@6.454363 6.454363 11 57.0577 357.2521@6.5550003 6.5550003 10 357.2521 602.3857@6.637 6.637 2 602.3857 355.1758@6.6623163 6.6623163 19 355.1758 852.3242@6.6850624 6.6850624 32 852.3242 971.877@6.6857867 6.6857867 28 971.877 780.2701@6.703534 6.703534 30 780.2701 283.1549@6.6894445 6.6894445 9 283.1549 295.1429@6.857125 6.857125 8 295.1429 165.0769@6.978 6.978 1 165.0769 174.1011@6.9812355 6.9812355 17 174.1011 126.0431@7.141 7.141 2 126.0431 439.2212@7.20675 7.20675 4 439.2212 214.1323@7.7734237 7.7734237 59 214.1323 469.2322@7.758 7.758 1 469.2322 211.0966@8.1524 8.1524 10 211.0966 179.1428@9.38875 9.38875 4 179.1428 1071.7484@0.99300003 0.99300003 2 1071.7484 1045.7386@0.994 0.994 2 1045.7386 1029.7473@0.9965 0.9965 2 1029.7473 1032.7521@0.996 0.996 1 1032.7521 1021.7392@0.99733335 0.99733335 3 1021.7392 1026.7712@0.9983334 0.9983334 3 1026.7712 997.7366@0.99899995 0.99899995 4 997.7366 971.7226@1.00025 1.00025 4 971.7226 1042.7773@1.0015 1.0015 2 1042.7773 1013.7473@1.0013334 1.0013334 3 1013.7473 1039.7614@1.0005 1.0005 2 1039.7614 974.7393@1.001 1.001 1 974.7393 1011.7697@1.001 1.001 2 1011.7697 1016.7613@1.0035 1.0035 4 1016.7613 947.7233@1.004875 1.004875 8 947.7233 1151.3077@1.006 1.006 2 1151.3077 921.711@1.0048 1.0048 5 921.711 1019.7769@1.0074999 1.0074999 2 1019.7769 987.7362@1.006 1.006 2 987.7362 1133.2719@1.0073333 1.0073333 3 1133.2719 859.6719@1.008 1.008 1 859.6719 955.7521@1.0079999 1.0079999 2 955.7521 885.6979@1.01 1.01 1 885.6979 729.5371@1.0125002 1.0125002 6 729.5371 873.7002@1.01325 1.01325 4 873.7002 931.7512@1.0202 1.0202 5 931.7512 709.5629@1.0161667 1.0161667 6 709.5629 919.3067@1.0225 1.0225 8 919.3067 1004.2488@1.021 1.021 2 1004.2488 551.4245@1.1135554 1.1135554 9 551.4245 679.4897@1.0223845 1.0223845 13 679.4897 968.7642@1.0223999 1.0223999 5 968.7642 906.7505@1.026 1.026 1 906.7505 668.5508@1.0366957 1.0366957 23 668.5508 593.5158@1.0274999 1.0274999 2 593.5158 699.5426@1.03625 1.03625 12 699.5426 671.571@1.0336 1.0336 5 671.571 638.312@1.034 1.034 1 638.312 374.0928@1.038 1.038 1 374.0928 222.1178@1.048 1.048 1 222.1178 438.3143@1.0536945 1.0536945 36 438.3143 933.7741@1.0450001 1.0450001 2 933.7741 783.1659@1.06 1.06 1 783.1659 819.7295@1.063 1.063 1 819.7295 321.2632@1.0682501 1.0682501 12 321.2632 779.7006@1.0611111 1.0611111 9 779.7006 634.1438@1.06575 1.06575 4 634.1438 345.2693@1.0686429 1.0686429 14 345.2693 306.2543@1.0736363 1.0736363 11 306.2543 264.2435@1.0831906 1.0831906 21 264.2435 287.2147@1.0675 1.0675 4 287.2147 148.0522@1.0743078 1.0743078 13 148.0522 909.7752@1.0658236 1.0658236 17 909.7752 551.4543@1.0805 1.0805 2 551.4543 488.0522@1.081 1.081 1 488.0522 643.1547@1.0799999 1.0799999 33 643.1547 565.4676@1.0890908 1.0890908 11 565.4676 503.3874@1.086 1.086 1 503.3874 807.73@1.0868751 1.0868751 16 807.73 235.218@1.0928572 1.0928572 7 235.218 96.0572@1.1340526 1.1340526 19 96.0572 392.0637@1.1082 1.1082 5 392.0637 246.1839@1.1113334 1.1113334 3 246.1839 228.2075@1.114 1.114 1 228.2075 370.0942@1.115 1.115 1 370.0942 546.5112@1.1103334 1.1103334 3 546.5112 754.6225@1.1143571 1.1143571 14 754.6225 298.2504@1.123 1.123 1 298.2504 266.2232@1.1245 1.1245 10 266.2232 226.1217@1.1253334 1.1253334 6 226.1217 268.2045@1.1359131 1.1359131 23 268.2045 497.3726@1.1364208 1.1364208 38 497.3726 306.2528@1.0944 1.0944 5 306.2528 430.3772@1.1238333 1.1238333 6 430.3772 145.0528@1.1880001 1.1880001 14 145.0528 210.1963@1.1327499 1.1327499 4 210.1963 618.6058@1.1489999 1.1489999 8 618.6058 263.129@1.1609999 1.1609999 8 263.129 252.1359@1.162 1.162 1 252.1359 584.2621@1.1717142 1.1717142 7 584.2621 189.08@1.1616668 1.1616668 3 189.08 403.2027@1.1665 1.1665 8 403.2027 306.2433@1.173318 1.173318 22 306.2433 182.1312@1.2129999 1.2129999 14 182.1312 293.2465@1.18 1.18 1 293.2465 367.3073@1.2106667 1.2106667 6 367.3073 546.5111@1.2138001 1.2138001 5 546.5111 250.1197@1.2456667 1.2456667 9 250.1197 216.163@1.2283334 1.2283334 6 216.163 457.3406@1.2315834 1.2315834 12 457.3406 490.4495@1.2646667 1.2646667 3 490.4495 483.3638@1.186 1.186 2 483.3638 386.3058@1.2456665 1.2456665 15 386.3058 381.3226@1.2687649 1.2687649 17 381.3226 381.2866@1.2618572 1.2618572 7 381.2866 581.2384@1.2198638 1.2198638 22 581.2384 226.1931@1.2464001 1.2464001 5 226.1931 366.2625@1.4239999 1.4239999 6 366.2625 319.2877@1.446 1.446 3 319.2877 129.0787@1.4988667 1.4988667 15 129.0787 184.1218@1.509 1.509 4 184.1218 538.1083@1.54 1.54 1 538.1083 206.0973@1.5738 1.5738 5 206.0973 325.1789@1.5746666 1.5746666 3 325.1789 176.087@1.57575 1.57575 12 176.087 388.2238@1.81025 1.81025 4 388.2238 245.9006@2.21 2.21 4 245.9006 596.1537@2.9682102 2.9682102 19 596.1537 266.0579@3.3630524 3.3630524 19 266.0579 131.0399@3.446 3.446 2 131.0399 526.3971@4.064 4.064 1 526.3971 216.1486@4.0861998 4.0861998 5 216.1486 155.131@4.2266254 4.2266254 8 155.131 154.1473@4.5026665 4.5026665 6 154.1473 159.126@4.625 4.625 10 159.126 877.5626@5.14 5.14 3 877.5626 851.5467@5.165833 5.165833 6 851.5467 825.5288@5.280143 5.280143 7 825.5288 817.5973@5.3233976 5.3233976 68 817.5973 963.5183@5.2968664 5.2968664 15 963.5183 829.5566@5.3952003 5.3952003 5 829.5566 866.6316@5.301 5.301 1 866.6316 815.0398@5.3245 5.3245 2 815.0398 828.0466@5.3190002 5.3190002 8 828.0466 803.0387@5.3350005 5.3350005 3 803.0387 866.6315@5.333 5.333 8 866.6315 768.5565@5.3189445 5.3189445 18 768.5565 782.5664@5.4 5.4 3 782.5664 822.5886@5.3981667 5.3981667 6 822.5886 280.0988@5.4754996 5.4754996 8 280.0988 915.5197@5.538 5.538 11 915.5197 770.5984@5.566 5.566 1 770.5984 355.2726@5.688728 5.688728 11 355.2726 307.9476@5.7235003 5.7235003 2 307.9476 824.5523@5.7860003 5.7860003 5 824.5523 489.3469@6.1938 6.1938 5 489.3469 140.0587@6.2862 6.2862 5 140.0587 344.0058@6.48725 6.48725 4 344.0058 577.4112@6.5425 6.5425 4 577.4112 784.4454@6.6514997 6.6514997 2 784.4454 357.1577@6.659 6.659 3 357.1577 1270.862@6.6852574 6.6852574 35 1270.862 1205.1475@6.685199 6.685199 20 1205.1475 365.1637@6.71 6.71 2 365.1637 1030.4454@6.717 6.717 2 1030.4454 176.9576@6.8319325 6.8319325 58 176.9576 158.1422@6.8349376 6.8349376 16 158.1422 539.357@6.867875 6.867875 8 539.357 151.0638@6.947874 6.947874 16 151.0638 194.1145@6.9366665 6.9366665 6 194.1145 511.3272@7.071834 7.071834 6 511.3272 143.0951@7.0878 7.0878 5 143.0951 235.9403@7.6537504 7.6537504 4 235.9403 179.1428@9.4255 9.4255 2 179.1428 440.0776@0.6912 0.6912 5 440.0776 220.0754@0.691 0.691 1 220.0754 454.093@0.7368889 0.7368889 9 454.093 219.0575@0.7664 0.7664 5 219.0575 1194.813@0.99712497 0.99712497 8 1194.813 953.7664@1.0107332 1.0107332 15 953.7664 899.7204@1.0115715 1.0115715 14 899.7204 625.2207@1.0158 1.0158 5 625.2207 679.5387@1.0155001 1.0155001 2 679.5387 688.5018@1.01575 1.01575 4 688.5018 685.5635@1.0191765 1.0191765 17 685.5635 642.5174@1.0326667 1.0326667 6 642.5174 688.1804@1.0210626 1.0210626 16 688.1804 904.7514@1.0230714 1.0230714 14 904.7514 610.5367@1.021 1.021 1 610.5367 677.5399@1.0252001 1.0252001 5 677.5399 887.7564@1.0319412 1.0319412 34 887.7564 748.6168@1.0268571 1.0268571 7 748.6168 553.1693@1.0374436 1.0374436 88 553.1693 487.4199@1.06425 1.06425 4 487.4199 726.6179@1.0543637 1.0543637 11 726.6179 404.2162@1.0490968 1.0490968 31 404.2162 463.3641@1.0550001 1.0550001 2 463.3641 410.3685@1.0653334 1.0653334 9 410.3685 451.3683@1.074 1.074 2 451.3683 359.1744@1.0688334 1.0688334 6 359.1744 569.4379@1.0890999 1.0890999 10 569.4379 286.142@1.0919688 1.0919688 32 286.142 270.2197@1.1035308 1.1035308 49 270.2197 344.2908@1.1026 1.1026 5 344.2908 321.253@1.1185 1.1185 10 321.253 458.3422@1.15 1.15 8 458.3422 527.4194@1.1061429 1.1061429 7 527.4194 566.2149@1.1363529 1.1363529 17 566.2149 404.3647@1.1324999 1.1324999 2 404.3647 482.3651@1.141889 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623.4399 601.44@2.1904285 2.1904285 7 601.44 653.4133@2.2450907 2.2450907 11 653.4133 157.0204@2.296 2.296 1 157.0204 70.0301@2.33475 2.33475 4 70.0301 645.4664@2.5180001 2.5180001 2 645.4664 385.14@2.8439999 2.8439999 3 385.14 390.0952@2.836 2.836 5 390.0952 108.021@2.8304996 2.8304996 6 108.021 390.0951@2.9037776 2.9037776 9 390.0951 416.0919@2.8963752 2.8963752 8 416.0919 598.0954@2.8731 2.8731 10 598.0954 429.1474@2.9150002 2.9150002 41 429.1474 403.1507@2.9267502 2.9267502 4 403.1507 108.0211@2.9568336 2.9568336 6 108.0211 525.2578@3.413 3.413 5 525.2578 558.4755@3.683 3.683 1 558.4755 126.0655@3.7877219 3.7877219 18 126.0655 504.3823@3.9689999 3.9689999 3 504.3823 315.2775@4.1758 4.1758 5 315.2775 212.9846@4.200667 4.200667 6 212.9846 373.2475@4.2339997 4.2339997 6 373.2475 797.5341@4.5829997 4.5829997 5 797.5341 636.4619@4.6822 4.6822 15 636.4619 702.5015@4.9998 4.9998 5 702.5015 861.6061@5.288 5.288 1 861.6061 889.6295@5.302941 5.302941 17 889.6295 829.054@5.322111 5.322111 9 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5.7937503 4 171.0666 367.2732@5.836 5.836 5 367.2732 329.2569@6.101 6.101 1 329.2569 726.5649@6.437889 6.437889 9 726.5649 415.0191@6.5535 6.5535 2 415.0191 353.1625@6.561 6.561 4 353.1625 283.1786@6.578167 6.578167 6 283.1786 675.5397@6.5826664 6.5826664 3 675.5397 686.2726@6.639077 6.639077 13 686.2726 1066.6934@6.6414547 6.6414547 11 1066.6934 115.0633@6.647737 6.647737 19 115.0633 803.41@6.6491995 6.6491995 5 803.41 1044.7097@6.652143 6.652143 14 1044.7097 1508.6232@6.683666 6.683666 6 1508.6232 1595.3188@6.6843324 6.6843324 18 1595.3188 237.0915@6.6879997 6.6879997 10 237.0915 964.3866@6.687 6.687 2 964.3866 1223.5485@6.6936665 6.6936665 3 1223.5485 792.3498@6.7210917 6.7210917 11 792.3498 874.4623@6.7222 6.7222 10 874.4623 519.3321@6.781 6.781 1 519.3321 257.1637@6.7657776 6.7657776 9 257.1637 155.0351@6.8453083 6.8453083 13 155.0351 348.0583@7.0844 7.0844 5 348.0583 485.9528@7.801143 7.801143 14 485.9528 346.0053@7.8929 7.8929 10 346.0053 348.0106@8.5835 8.5835 4 348.0106 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635.4101 577.3669@4.15925 4.15925 4 577.3669 903.5823@4.52625 4.52625 4 903.5823 761.4954@4.6695004 4.6695004 2 761.4954 819.518@5.373 5.373 1 819.518 805.0529@5.4088 5.4088 5 805.0529 938.5632@5.474 5.474 1 938.5632 905.5596@5.475 5.475 1 905.5596 753.5294@5.4403334 5.4403334 21 753.5294 864.5203@5.4945 5.4945 2 864.5203 836.6108@5.436867 5.436867 30 836.6108 793.0554@5.4820004 5.4820004 3 793.0554 730.535@5.4755 5.4755 2 730.535 1158.8275@5.5134444 5.5134444 9 1158.8275 890.5363@5.533 5.533 2 890.5363 892.5493@5.5415 5.5415 2 892.5493 741.5672@5.5649996 5.5649996 5 741.5672 183.1375@5.632 5.632 1 183.1375 1193.83@5.705 5.705 2 1193.83 1194.3354@5.706 5.706 1 1194.3354 803.8386@5.7170773 5.7170773 13 803.8386 803.5547@5.717875 5.717875 8 803.5547 171.9728@5.723 5.723 4 171.9728 908.5132@5.7998 5.7998 5 908.5132 798.5362@6.0678573 6.0678573 7 798.5362 435.8417@6.095 6.095 3 435.8417 185.1069@6.2834997 6.2834997 2 185.1069 174.1373@6.3495 6.3495 4 174.1373 745.5972@6.625714 6.625714 7 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4.619273 11 773.5329 600.9351@4.6206 4.6206 10 600.9351 789.5281@4.6573997 4.6573997 5 789.5281 811.5094@4.667666 4.667666 9 811.5094 859.6062@5.3159094 5.3159094 11 859.6062 843.6028@5.3269997 5.3269997 2 843.6028 1585.1003@5.3585 5.3585 2 1585.1003 863.5128@5.429 5.429 1 863.5128 874.549@5.44775 5.44775 4 874.549 978.5704@5.469225 5.469225 31 978.5704 1537.1016@5.475 5.475 1 1537.1016 821.5341@5.477 5.477 1 821.5341 794.6014@5.4097996 5.4097996 25 794.6014 844.6457@5.4888005 5.4888005 10 844.6457 848.6431@5.484 5.484 1 848.6431 865.5261@5.489 5.489 1 865.5261 732.5498@5.48 5.48 2 732.5498 1185.3442@5.50175 5.50175 4 1185.3442 839.6231@5.53 5.53 1 839.6231 807.0724@5.6455 5.6455 2 807.0724 157.1107@5.6625 5.6625 2 157.1107 1206.839@5.7035 5.7035 4 1206.839 766.5492@5.7135 5.7135 4 766.5492 939.8137@5.7146006 5.7146006 5 939.8137 773.5571@5.5891256 5.5891256 8 773.5571 825.5539@5.771 5.771 3 825.5539 929.586@5.7963996 5.7963996 5 929.586 422.2703@5.851364 5.851364 11 422.2703 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382.0839@0.855 0.855 2 382.0839 556.9616@0.856 0.856 2 556.9616 371.9479@0.8565 0.8565 2 371.9479 412.975@0.857 0.857 1 412.975 261.031@0.8885 0.8885 2 261.031 906.2515@1.0195 1.0195 4 906.2515 649.529@1.0284 1.0284 30 649.529 980.2718@1.0254546 1.0254546 22 980.2718 1056.2871@1.037129 1.037129 31 1056.2871 712.4844@1.0553333 1.0553333 3 712.4844 414.3151@1.1036667 1.1036667 3 414.3151 341.2625@1.066 1.066 1 341.2625 268.2392@1.0656667 1.0656667 3 268.2392 539.4529@1.0634999 1.0634999 2 539.4529 541.4704@1.084 1.084 2 541.4704 414.3684@1.0672858 1.0672858 7 414.3684 304.2049@1.08 1.08 1 304.2049 160.1251@1.1255333 1.1255333 15 160.1251 582.5094@1.087 1.087 5 582.5094 624.5314@1.0875 1.0875 2 624.5314 325.2604@1.0947499 1.0947499 4 325.2604 104.0623@1.091 1.091 1 104.0623 378.3482@1.1005714 1.1005714 7 378.3482 210.1034@1.110143 1.110143 21 210.1034 261.1611@1.122 1.122 1 261.1611 284.2021@1.152 1.152 2 284.2021 538.5142@1.12925 1.12925 4 538.5142 504.4173@1.129 1.129 1 504.4173 668.5232@1.1324999 1.1324999 2 668.5232 650.5124@1.127 1.127 2 650.5124 208.11@1.184 1.184 4 208.11 341.2569@1.1293125 1.1293125 16 341.2569 388.333@1.0924001 1.0924001 10 388.333 306.219@1.134 1.134 1 306.219 633.3506@1.1400001 1.1400001 2 633.3506 631.538@1.146 1.146 2 631.538 276.2096@1.0915 1.0915 2 276.2096 624.4451@1.1595 1.1595 2 624.4451 501.2723@1.1546668 1.1546668 9 501.2723 456.3251@1.165 1.165 1 456.3251 372.1214@1.1692941 1.1692941 17 372.1214 302.1896@1.1621429 1.1621429 7 302.1896 154.0996@1.1845714 1.1845714 7 154.0996 374.3137@1.1628823 1.1628823 17 374.3137 307.2731@1.1823571 1.1823571 14 307.2731 376.3187@1.2026365 1.2026365 11 376.3187 316.1529@1.234 1.234 1 316.1529 151.0635@1.2453333 1.2453333 3 151.0635 625.2286@1.256875 1.256875 24 625.2286 301.2405@1.2866668 1.2866668 3 301.2405 216.184@1.3075001 1.3075001 10 216.184 115.0631@1.374375 1.374375 8 115.0631 206.0518@1.419 1.419 2 206.0518 224.0617@1.417 1.417 1 224.0617 441.1568@1.458 1.458 2 441.1568 337.1729@1.7091 1.7091 10 337.1729 300.1122@1.9555 1.9555 2 300.1122 159.0897@1.9141668 1.9141668 12 159.0897 318.1218@2.0102499 2.0102499 4 318.1218 252.1024@2.036 2.036 2 252.1024 502.1576@2.0365 2.0365 2 502.1576 382.1462@2.038 2.038 1 382.1462 738.5129@2.5939999 2.5939999 2 738.5129 467.1035@2.6995 2.6995 2 467.1035 509.0416@2.8261664 2.8261664 12 509.0416 673.1351@2.87 2.87 1 673.1351 541.4253@2.921 2.921 1 541.4253 217.0965@2.941 2.941 1 217.0965 292.0285@3.0475001 3.0475001 2 292.0285 463.2764@3.2998333 3.2998333 12 463.2764 499.2969@3.355846 3.355846 13 499.2969 752.5281@3.639 3.639 1 752.5281 244.179@3.993 3.993 1 244.179 369.1366@4.033 4.033 2 369.1366 310.0625@4.0614996 4.0614996 2 310.0625 312.078@4.064 4.064 2 312.078 255.1634@4.221125 4.221125 8 255.1634 166.0787@4.226857 4.226857 7 166.0787 405.1567@4.2555 4.2555 2 405.1567 271.158@4.4444 4.4444 5 271.158 146.9969@5.468 5.468 10 146.9969 97.089@5.531 5.531 2 97.089 945.558@5.79525 5.79525 28 945.558 994.6424@5.8691173 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785.4978 760.5793@5.5753336 5.5753336 9 760.5793 401.2657@5.7151904 5.7151904 21 401.2657 785.594@5.861 5.861 2 785.594 209.0453@5.870222 5.870222 9 209.0453 159.0922@6.5374994 6.5374994 4 159.0922 724.5493@6.6349635 6.6349635 27 724.5493 761.4622@6.664 6.664 2 761.4622 147.0899@6.967 6.967 1 147.0899 551.3233@7.116 7.116 2 551.3233 486.9368@7.877 7.877 1 486.9368 512.9751@0.7883334 0.7883334 3 512.9751 109.0528@0.797 0.797 2 109.0528 1077.2854@1.01 1.01 4 1077.2854 919.7601@1.035 1.035 1 919.7601 533.4294@1.0505 1.0505 2 533.4294 368.2906@1.071 1.071 5 368.2906 596.1127@1.0623332 1.0623332 3 596.1127 580.0851@1.0597501 1.0597501 4 580.0851 591.3998@1.0783334 1.0783334 9 591.3998 181.1557@1.1115 1.1115 2 181.1557 423.3393@1.083 1.083 1 423.3393 713.5075@1.094 1.094 1 713.5075 759.4767@1.098 1.098 1 759.4767 434.3381@1.119 1.119 1 434.3381 305.223@1.12175 1.12175 4 305.223 305.1865@1.0982 1.0982 5 305.1865 581.2359@1.154 1.154 1 581.2359 899.7927@1.18 1.18 1 899.7927 218.1876@1.2696428 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1.192 8 283.2506 312.0901@1.225 1.225 4 312.0901 363.2272@1.337 1.337 1 363.2272 279.1316@1.5698 1.5698 5 279.1316 401.3319@2.136 2.136 1 401.3319 357.2345@2.48 2.48 1 357.2345 161.0692@2.8863637 2.8863637 11 161.0692 88.0262@2.887 2.887 1 88.0262 180.0834@2.8634 2.8634 5 180.0834 297.1239@2.8746002 2.8746002 5 297.1239 180.0829@2.9746666 2.9746666 3 180.0829 163.0671@3.2150002 3.2150002 2 163.0671 526.2606@3.365 3.365 2 526.2606 903.6867@3.585 3.585 1 903.6867 578.656@3.6529999 3.6529999 2 578.656 903.6888@3.698 3.698 1 903.6888 752.553@4.619 4.619 1 752.553 840.6181@5.3611665 5.3611665 12 840.6181 743.5657@5.4726663 5.4726663 3 743.5657 1449.7164@5.7105 5.7105 8 1449.7164 818.6012@5.714 5.714 1 818.6012 850.5661@5.7904997 5.7904997 2 850.5661 893.5456@5.865 5.865 1 893.5456 225.9447@6.0318336 6.0318336 6 225.9447 307.1786@6.398846 6.398846 13 307.1786 672.5214@6.4583335 6.4583335 3 672.5214 535.116@6.7092505 6.7092505 4 535.116 157.111@6.95 6.95 1 157.111 145.1104@8.1744 8.1744 5 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767.5808@5.389 5.389 1 767.5808 153.0909@5.446 5.446 1 153.0909 834.597@5.436 5.436 2 834.597 743.5688@5.606308 5.606308 13 743.5688 168.0906@6.091 6.091 5 168.0906 788.6116@6.6671996 6.6671996 5 788.6116 811.6635@7.093 7.093 1 811.6635 733.968@7.845 7.845 2 733.968 175.1212@7.894 7.894 11 175.1212 247.2516@0.827 0.827 1 247.2516 410.2696@0.837 0.837 1 410.2696 347.3401@0.838 0.838 1 347.3401 426.2657@0.886 0.886 1 426.2657 434.3604@1.068 1.068 2 434.3604 505.3141@1.022 1.022 1 505.3141 599.5402@1.0239999 1.0239999 2 599.5402 559.5074@1.025 1.025 1 559.5074 270.2354@1.025 1.025 1 270.2354 529.5016@1.025 1.025 1 529.5016 587.5312@1.026 1.026 1 587.5312 543.5035@1.028 1.028 1 543.5035 645.5879@1.037 1.037 1 645.5879 589.5287@1.041 1.041 1 589.5287 673.5876@1.045 1.045 1 673.5876 475.4026@1.051 1.051 1 475.4026 661.5821@1.052 1.052 1 661.5821 464.4186@1.054 1.054 1 464.4186 659.3876@1.062 1.062 1 659.3876 228.0818@1.073 1.073 1 228.0818 242.1174@1.0822631 1.0822631 19 242.1174 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364.098 369.1898@6.6675 6.6675 2 369.1898 526.1177@6.6773334 6.6773334 3 526.1177 532.1162@6.673 6.673 1 532.1162 1202.4851@6.6855 6.6855 2 1202.4851 757.5596@6.695875 6.695875 8 757.5596 446.3247@7.0545 7.0545 4 446.3247 329.1847@7.12 7.12 1 329.1847 484.9709@7.774 7.774 4 484.9709 784.6464@7.782 7.782 2 784.6464 784.646@7.84 7.84 1 784.646 240.1476@8.372 8.372 1 240.1476 240.1481@8.4585 8.4585 2 240.1481 199.9658@13.254 13.254 1 199.9658 930.7701@1.014875 1.014875 8 930.7701 741.1908@1.023 1.023 1 741.1908 668.1604@1.0273334 1.0273334 3 668.1604 479.3907@1.0476667 1.0476667 3 479.3907 871.7633@1.0605 1.0605 2 871.7633 324.2305@1.11 1.11 3 324.2305 335.2575@1.081 1.081 1 335.2575 420.3602@1.082 1.082 1 420.3602 530.3984@1.07675 1.07675 4 530.3984 431.3638@1.0825 1.0825 2 431.3638 390.2169@1.099 1.099 3 390.2169 550.4162@1.092 1.092 1 550.4162 327.243@1.1125 1.1125 2 327.243 396.2743@1.099 1.099 1 396.2743 422.1956@1.0973333 1.0973333 3 422.1956 422.3288@1.105 1.105 3 422.3288 690.5239@1.1205001 1.1205001 2 690.5239 300.1597@1.123 1.123 1 300.1597 476.3593@1.125 1.125 1 476.3593 629.5373@1.137 1.137 1 629.5373 476.343@1.1340001 1.1340001 5 476.343 396.2856@1.158 1.158 1 396.2856 249.1967@1.176 1.176 3 249.1967 501.3666@1.5090001 1.5090001 2 501.3666 388.06@1.5899999 1.5899999 2 388.06 275.0464@1.637 1.637 3 275.0464 112.0271@1.6951666 1.6951666 6 112.0271 328.2595@2.812 2.812 1 328.2595 382.1092@2.8691251 2.8691251 8 382.1092 319.0752@2.994 2.994 1 319.0752 315.0073@3.0646 3.0646 5 315.0073 481.286@3.298 3.298 4 481.286 516.3241@3.3003333 3.3003333 3 516.3241 537.2751@4.456 4.456 2 537.2751 532.3195@4.457333 4.457333 3 532.3195 764.5195@4.646 4.646 1 764.5195 896.5341@5.3094997 5.3094997 2 896.5341 817.5783@5.375 5.375 2 817.5783 753.531@5.3733335 5.3733335 3 753.531 855.5748@5.4639997 5.4639997 2 855.5748 807.5764@5.465 5.465 1 807.5764 823.5769@5.5049996 5.5049996 3 823.5769 731.5452@5.673 5.673 1 731.5452 465.3086@5.8635 5.8635 6 465.3086 105.0804@5.972 5.972 1 105.0804 118.0788@6.286 6.286 1 118.0788 730.5963@6.7104006 6.7104006 5 730.5963 780.4145@6.6965 6.6965 2 780.4145 1363.883@6.6853333 6.6853333 3 1363.883 1094.4353@6.686 6.686 5 1094.4353 1523.621@6.685375 6.685375 8 1523.621 798.3452@6.7171817 6.7171817 11 798.3452 260.0815@6.75125 6.75125 4 260.0815 512.3317@7.075 7.075 1 512.3317 210.185@9.1545 9.1545 2 210.185 923.0074@13.262 13.262 1 923.0074 923.0061@13.33 13.33 1 923.0061 354.0408@0.7276667 0.7276667 3 354.0408 274.0846@0.72749996 0.72749996 2 274.0846 965.7976@1.0225 1.0225 2 965.7976 824.6859@1.02 1.02 2 824.6859 940.791@1.032 1.032 1 940.791 854.7339@1.0345 1.0345 2 854.7339 647.5726@1.0365 1.0365 2 647.5726 473.3743@1.0496666 1.0496666 3 473.3743 388.2608@1.1159999 1.1159999 2 388.2608 820.7353@1.0768 1.0768 5 820.7353 274.1909@1.111 1.111 6 274.1909 450.3341@1.1034 1.1034 5 450.3341 284.2334@1.1253334 1.1253334 6 284.2334 412.3025@1.1259999 1.1259999 2 412.3025 302.2221@1.1265 1.1265 2 302.2221 404.2947@1.1166667 1.1166667 3 404.2947 580.442@1.139 1.139 1 580.442 534.392@1.1121 1.1121 10 534.392 330.2762@1.1600001 1.1600001 2 330.2762 273.224@1.173 1.173 1 273.224 311.2462@1.2282727 1.2282727 11 311.2462 330.1601@1.2314999 1.2314999 2 330.1601 331.2759@1.19525 1.19525 4 331.2759 58.0419@1.336 1.336 1 58.0419 214.1198@1.388 1.388 3 214.1198 325.2445@1.4008 1.4008 5 325.2445 589.4196@1.57 1.57 2 589.4196 191.0867@1.7085998 1.7085998 20 191.0867 408.1055@2.7952938 2.7952938 17 408.1055 295.109@2.914 2.914 1 295.109 742.2567@2.931 2.931 5 742.2567 323.1395@3.037 3.037 1 323.1395 222.1463@3.758 3.758 1 222.1463 361.3199@4.477 4.477 2 361.3199 189.1366@4.956 4.956 3 189.1366 151.1111@5.288 5.288 1 151.1111 801.5289@5.3059998 5.3059998 2 801.5289 826.592@5.362 5.362 1 826.592 810.5968@5.414 5.414 8 810.5968 825.5874@5.425 5.425 1 825.5874 742.5702@5.44125 5.44125 4 742.5702 788.5994@5.5109997 5.5109997 2 788.5994 181.09@5.6775713 5.6775713 7 181.09 149.1051@6.0145 6.0145 2 149.1051 269.1484@6.087667 6.087667 3 269.1484 159.1257@6.365 6.365 2 159.1257 220.0893@6.538 6.538 1 220.0893 252.1094@6.551333 6.551333 3 252.1094 806.0185@6.649 6.649 1 806.0185 805.5123@6.656 6.656 1 805.5123 800.9798@6.692 6.692 1 800.9798 1016.672@6.707 6.707 1 1016.672 329.2207@6.902 6.902 3 329.2207 160.0857@7.09625 7.09625 4 160.0857 786.6587@7.788 7.788 1 786.6587 350.0066@8.5425 8.5425 2 350.0066 805.2069@0.7024 0.7024 5 805.2069 738.1463@0.70350003 0.70350003 4 738.1463 739.6294@1.0176 1.0176 5 739.6294 689.5744@1.017 1.017 4 689.5744 627.507@1.073 1.073 2 627.507 585.4569@1.026 1.026 1 585.4569 571.4451@1.027 1.027 1 571.4451 557.4307@1.03 1.03 1 557.4307 628.1893@1.032 1.032 1 628.1893 631.1854@1.0325 1.0325 4 631.1854 693.6067@1.0344 1.0344 5 693.6067 587.4411@1.075 1.075 2 587.4411 404.2558@1.0527999 1.0527999 5 404.2558 360.2164@1.0572222 1.0572222 9 360.2164 399.23@1.082 1.082 5 399.23 609.4975@1.0986001 1.0986001 5 609.4975 323.212@1.116 1.116 3 323.212 304.2567@1.1220001 1.1220001 3 304.2567 541.442@1.1299999 1.1299999 22 541.442 337.1752@1.1412858 1.1412858 7 337.1752 307.1208@1.1755 1.1755 2 307.1208 237.1617@1.186 1.186 2 237.1617 402.132@1.1885 1.1885 10 402.132 421.376@1.196 1.196 2 421.376 321.2188@1.1997 1.1997 10 321.2188 365.301@1.1482857 1.1482857 7 365.301 337.2712@1.236 1.236 1 337.2712 465.4032@1.25 1.25 2 465.4032 321.2315@1.2345 1.2345 10 321.2315 197.1418@1.199 1.199 6 197.1418 335.2839@1.285 1.285 2 335.2839 495.4124@1.3855 1.3855 2 495.4124 217.1317@1.369 1.369 2 217.1317 181.1324@1.4445 1.4445 2 181.1324 553.4546@1.5065 1.5065 2 553.4546 366.2882@1.549125 1.549125 8 366.2882 597.4808@1.607 1.607 1 597.4808 338.2573@1.6318572 1.6318572 7 338.2573 369.2987@1.68725 1.68725 8 369.2987 641.5083@1.754 1.754 1 641.5083 664.2397@1.773 1.773 1 664.2397 664.2362@1.923 1.923 1 664.2362 701.5304@2.2083333 2.2083333 3 701.5304 387.2329@2.557 2.557 1 387.2329 218.0199@2.8616667 2.8616667 3 218.0199 243.1985@3.0780666 3.0780666 15 243.1985 345.2159@4.7674 4.7674 5 345.2159 651.4094@6.31 6.31 2 651.4094 637.3958@6.503 6.503 1 637.3958 1269.8615@6.68525 6.68525 4 1269.8615 1206.1501@6.68375 6.68375 8 1206.1501 254.0939@7.368 7.368 1 254.0939 102.0318@7.745 7.745 2 102.0318 539.1411@1.036 1.036 1 539.1411 362.2471@1.049 1.049 2 362.2471 667.5291@1.0415 1.0415 2 667.5291 480.3835@1.077091 1.077091 11 480.3835 690.6147@1.077 1.077 3 690.6147 487.4585@1.079 1.079 1 487.4585 66.0467@1.0870001 1.0870001 5 66.0467 417.382@1.086 1.086 2 417.382 639.5417@1.09 1.09 1 639.5417 411.3749@1.0899999 1.0899999 2 411.3749 240.2082@1.1476666 1.1476666 18 240.2082 537.4202@1.2095001 1.2095001 2 537.4202 96.0569@1.171 1.171 1 96.0569 216.1742@1.174 1.174 1 216.1742 286.2171@1.1981667 1.1981667 6 286.2171 582.2408@1.2107 1.2107 10 582.2408 317.1262@1.2973334 1.2973334 6 317.1262 260.2108@1.4135001 1.4135001 4 260.2108 301.153@1.5745001 1.5745001 4 301.153 114.043@1.583 1.583 1 114.043 185.0803@1.732 1.732 1 185.0803 127.063@1.75 1.75 1 127.063 115.0629@2.109 2.109 3 115.0629 202.0343@2.1455 2.1455 2 202.0343 490.1168@2.743 2.743 2 490.1168 225.1216@2.7715833 2.7715833 12 225.1216 181.1208@2.753 2.753 1 181.1208 224.0909@2.8315 2.8315 2 224.0909 139.0744@3.244 3.244 1 139.0744 139.0741@3.459 3.459 1 139.0741 199.1327@4.924667 4.924667 3 199.1327 756.5502@5.5955 5.5955 2 756.5502 447.7701@5.71 5.71 2 447.7701 801.5493@5.86 5.86 1 801.5493 102.0466@5.861 5.861 1 102.0466 175.1219@6.2415 6.2415 2 175.1219 805.4244@6.647 6.647 1 805.4244 719.5785@6.651 6.651 2 719.5785 817.3738@6.66 6.66 2 817.3738 1212.555@6.692 6.692 1 1212.555 174.1008@6.713 6.713 1 174.1008 724.5492@6.8195 6.8195 2 724.5492 702.5672@7.1016006 7.1016006 5 702.5672 787.6072@7.1052003 7.1052003 5 787.6072 218.1284@7.1 7.1 1 218.1284 810.661@7.861 7.861 3 810.661 143.0949@7.985 7.985 1 143.0949 353.006@8.597 8.597 1 353.006 350.0063@8.736 8.736 1 350.0063 350.1996@9.420333 9.420333 3 350.1996 709.6184@1.0244999 1.0244999 2 709.6184 1272.5913@1.0363332 1.0363332 3 1272.5913 1608.275@1.0370001 1.0370001 4 1608.275 457.3889@1.044 1.044 1 457.3889 337.2595@1.147 1.147 2 337.2595 228.1922@1.1635001 1.1635001 2 228.1922 673.6384@1.0933999 1.0933999 5 673.6384 376.189@1.1165557 1.1165557 9 376.189 230.1168@1.123 1.123 1 230.1168 328.1065@1.1487501 1.1487501 8 328.1065 478.4053@1.123 1.123 7 478.4053 249.1639@1.136 1.136 2 249.1639 864.346@1.1465 1.1465 4 864.346 296.1267@1.1622 1.1622 5 296.1267 284.0724@1.187 1.187 2 284.0724 371.2329@1.2035 1.2035 2 371.2329 283.1083@1.2056665 1.2056665 6 283.1083 270.0563@1.2105 1.2105 2 270.0563 596.229@1.2453333 1.2453333 6 596.229 175.1034@1.2360001 1.2360001 2 175.1034 602.2136@1.393 1.393 3 602.2136 186.1262@1.4486 1.4486 5 186.1262 305.2725@1.466 1.466 1 305.2725 183.0889@1.5645001 1.5645001 2 183.0889 300.1118@1.695 1.695 1 300.1118 269.1098@2.1593335 2.1593335 3 269.1098 410.0458@2.8658001 2.8658001 5 410.0458 225.1176@3.0005002 3.0005002 2 225.1176 413.1704@3.0315 3.0315 2 413.1704 541.5594@3.618 3.618 2 541.5594 275.1683@4.22375 4.22375 4 275.1683 261.1525@4.25 4.25 5 261.1525 324.1839@4.6036363 4.6036363 11 324.1839 301.2626@4.617 4.617 1 301.2626 326.1987@4.6195993 4.6195993 10 326.1987 340.1791@4.711778 4.711778 9 340.1791 822.633@5.547 5.547 4 822.633 781.5599@6.095 6.095 3 781.5599 571.3269@6.1587996 6.1587996 5 571.3269 761.5845@6.2225 6.2225 6 761.5845 547.3283@6.234 6.234 1 547.3283 198.1125@6.631 6.631 1 198.1125 298.1508@6.6751328 6.6751328 15 298.1508 1595.979@6.684 6.684 2 1595.979 753.2536@6.68925 6.68925 4 753.2536 521.347@6.698 6.698 2 521.347 298.1511@6.7054 6.7054 10 298.1511 131.0587@6.807 6.807 1 131.0587 374.0846@0.7296 0.7296 5 374.0846 395.141@0.784 0.784 2 395.141 1059.2527@1.008 1.008 1 1059.2527 813.6449@1.0086666 1.0086666 3 813.6449 767.6618@1.022 1.022 3 767.6618 707.1974@1.026 1.026 2 707.1974 638.0683@1.0725 1.0725 2 638.0683 346.2882@1.0805 1.0805 2 346.2882 289.1938@1.087 1.087 3 289.1938 629.5555@1.08 1.08 1 629.5555 564.047@1.0826665 1.0826665 3 564.047 647.5109@1.094 1.094 1 647.5109 337.2244@1.0953335 1.0953335 3 337.2244 959.7947@1.101 1.101 3 959.7947 709.13@1.103 1.103 1 709.13 533.25@1.111 1.111 1 533.25 432.0461@1.115 1.115 2 432.0461 344.1486@1.1182001 1.1182001 5 344.1486 322.2082@1.1559999 1.1559999 2 322.2082 637.445@1.141 1.141 1 637.445 124.0727@1.148 1.148 1 124.0727 385.2261@1.1765555 1.1765555 9 385.2261 175.064@1.181 1.181 1 175.064 228.1731@1.1926666 1.1926666 3 228.1731 302.1275@1.221 1.221 4 302.1275 250.1782@1.29375 1.29375 4 250.1782 598.2428@1.4618 1.4618 5 598.2428 626.237@1.47 1.47 1 626.237 236.1251@1.4195001 1.4195001 2 236.1251 141.0173@2.164 2.164 1 141.0173 292.0122@2.857 2.857 1 292.0122 641.982@2.9165714 2.9165714 7 641.982 85.0526@3.44525 3.44525 4 85.0526 166.0857@4.294 4.294 2 166.0857 884.5413@4.516 4.516 1 884.5413 901.5637@4.525 4.525 1 901.5637 904.5868@4.526 4.526 1 904.5868 219.1636@4.558 4.558 1 219.1636 1613.1328@5.374 5.374 3 1613.1328 853.6301@5.3806005 5.3806005 5 853.6301 1589.1311@5.4683337 5.4683337 3 1589.1311 1200.3707@5.7074 5.7074 5 1200.3707 910.0587@5.7163334 5.7163334 3 910.0587 876.0624@5.7177 5.7177 10 876.0624 1010.6114@5.8651423 5.8651423 7 1010.6114 271.1792@6.574 6.574 1 271.1792 1443.2549@6.6855 6.6855 2 1443.2549 234.1842@8.56425 8.56425 4 234.1842 124.0527@0.765 0.765 2 124.0527 924.2643@1.0102857 1.0102857 14 924.2643 927.2558@1.0145 1.0145 2 927.2558 701.5689@1.021 1.021 1 701.5689 746.6019@1.02 1.02 2 746.6019 719.5844@1.022875 1.022875 8 719.5844 613.535@1.032 1.032 3 613.535 294.163@1.06 1.06 3 294.163 385.282@1.0864999 1.0864999 2 385.282 606.4775@1.096 1.096 5 606.4775 416.363@1.0766362 1.0766362 11 416.363 396.3261@1.1226667 1.1226667 3 396.3261 253.1685@1.1235 1.1235 2 253.1685 602.4553@1.1256667 1.1256667 3 602.4553 599.4434@1.1315 1.1315 2 599.4434 267.1491@1.1335 1.1335 2 267.1491 620.4703@1.1309999 1.1309999 3 620.4703 278.1865@1.1353334 1.1353334 9 278.1865 259.1788@1.1695 1.1695 2 259.1788 433.2405@1.209 1.209 1 433.2405 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299.1783 240.1029@2.766 2.766 1 240.1029 448.137@2.8590002 2.8590002 4 448.137 244.0678@3.6205554 3.6205554 9 244.0678 60.032@3.7740002 3.7740002 3 60.032 345.3025@4.008 4.008 3 345.3025 286.0936@5.3794284 5.3794284 7 286.0936 761.5832@5.5925717 5.5925717 7 761.5832 833.5774@5.8561997 5.8561997 5 833.5774 174.1375@6.409 6.409 1 174.1375 155.0702@6.6642 6.6642 5 155.0702 1118.4563@6.683 6.683 18 1118.4563 393.1685@6.69675 6.69675 4 393.1685 345.0023@7.8778567 7.8778567 7 345.0023 928.7531@1.0095 1.0095 2 928.7531 820.1756@1.0144999 1.0144999 2 820.1756 426.3527@1.035 1.035 1 426.3527 1129.3071@1.0743333 1.0743333 3 1129.3071 478.3684@1.0556666 1.0556666 3 478.3684 507.0746@1.059 1.059 1 507.0746 601.436@1.0795 1.0795 4 601.436 540.1014@1.078 1.078 1 540.1014 477.3711@1.0793333 1.0793333 6 477.3711 490.0287@1.1104 1.1104 5 490.0287 578.4896@1.126 1.126 1 578.4896 549.3748@1.133 1.133 1 549.3748 380.2394@1.149 1.149 1 380.2394 216.1661@1.189 1.189 1 216.1661 407.3028@1.2126666 1.2126666 3 407.3028 290.1906@1.2053334 1.2053334 3 290.1906 363.314@1.2685001 1.2685001 2 363.314 299.1281@1.3702856 1.3702856 7 299.1281 358.2474@1.536 1.536 1 358.2474 177.0287@1.5350001 1.5350001 2 177.0287 225.032@1.5352857 1.5352857 7 225.032 186.0397@1.578 1.578 1 186.0397 375.3353@2.963 2.963 1 375.3353 214.1338@4.0563335 4.0563335 3 214.1338 567.3791@4.524 4.524 1 567.3791 567.3831@4.599 4.599 1 567.3831 815.5808@5.3065 5.3065 2 815.5808 815.5537@5.3292727 5.3292727 11 815.5537 822.5655@5.3809996 5.3809996 2 822.5655 522.0394@5.472 5.472 5 522.0394 787.5998@5.719 5.719 2 787.5998 759.5774@5.8595 5.8595 2 759.5774 761.5835@6.037 6.037 2 761.5835 979.3769@6.6805 6.6805 2 979.3769 975.3803@6.6875 6.6875 2 975.3803 799.3436@6.7174997 6.7174997 2 799.3436 523.362@6.741 6.741 1 523.362 130.0744@7.0227504 7.0227504 8 130.0744 116.0584@7.0878 7.0878 5 116.0584 151.0249@7.102 7.102 2 151.0249 71.0369@7.112 7.112 2 71.0369 161.1587@7.7456665 7.7456665 3 161.1587 174.112@8.672 8.672 1 174.112 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263.9623@1.7363333 1.7363333 3 263.9623 115.0632@1.8362 1.8362 5 115.0632 332.2571@2.158 2.158 2 332.2571 393.3142@2.7215 2.7215 2 393.3142 136.0383@3.037 3.037 1 136.0383 224.1183@3.0697498 3.0697498 4 224.1183 437.3342@3.4566667 3.4566667 3 437.3342 464.2779@3.5604286 3.5604286 7 464.2779 499.3152@3.56175 3.56175 4 499.3152 288.2457@3.5625 3.5625 2 288.2457 293.1999@3.5805001 3.5805001 2 293.1999 323.1733@4.1565 4.1565 2 323.1733 286.1239@4.2945004 4.2945004 2 286.1239 525.3877@4.515 4.515 1 525.3877 203.1521@4.7746673 4.7746673 3 203.1521 216.1481@5.4337497 5.4337497 4 216.1481 419.007@5.4703336 5.4703336 3 419.007 782.5613@6.0973997 6.0973997 5 782.5613 219.0575@6.0915003 6.0915003 2 219.0575 1072.445@6.69 6.69 1 1072.445 1228.45@6.69025 6.69025 4 1228.45 530.1171@6.697 6.697 2 530.1171 57.0576@6.7223334 6.7223334 3 57.0576 191.1188@8.283501 8.283501 4 191.1188 1289.3976@1.022 1.022 1 1289.3976 1516.4069@1.056 1.056 1 1516.4069 499.4215@1.064 1.064 2 499.4215 627.3987@1.0910001 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6.6592727 11 821.3613 996.3565@6.661 6.661 1 996.3565 1209.472@6.6879997 6.6879997 3 1209.472 370.04@7.1069994 7.1069994 7 370.04 259.1425@7.4415708 7.4415708 7 259.1425 151.0633@8.411167 8.411167 6 151.0633 305.0568@0.74266666 0.74266666 3 305.0568 356.195@0.99249995 0.99249995 2 356.195 627.5594@1.022 1.022 1 627.5594 427.3553@1.047 1.047 1 427.3553 925.8041@1.109 1.109 1 925.8041 624.4695@1.127 1.127 2 624.4695 346.1542@1.143 1.143 1 346.1542 110.1104@1.1413335 1.1413335 3 110.1104 416.3017@1.148 1.148 4 416.3017 457.2278@1.1558334 1.1558334 6 457.2278 315.2446@1.16 1.16 1 315.2446 257.1297@1.184 1.184 1 257.1297 251.2157@1.224 1.224 2 251.2157 258.2218@1.2405 1.2405 2 258.2218 512.1952@1.284 1.284 1 512.1952 201.1744@1.392 1.392 1 201.1744 352.1709@1.577 1.577 1 352.1709 582.2484@1.71 1.71 1 582.2484 351.1515@1.717 1.717 1 351.1515 411.1358@2.877 2.877 1 411.1358 813.071@5.511 5.511 2 813.071 790.5664@5.5036664 5.5036664 3 790.5664 475.7614@5.716 5.716 3 475.7614 843.6428@5.8671665 5.8671665 6 843.6428 457.3405@6.1060004 6.1060004 3 457.3405 783.5749@6.135 6.135 1 783.5749 99.0694@6.506 6.506 1 99.0694 369.1659@6.665667 6.665667 3 369.1659 719.584@6.724 6.724 1 719.584 140.0588@6.74825 6.74825 4 140.0588 322.2104@7.739 7.739 1 322.2104 1208.0109@7.793 7.793 1 1208.0109 1207.5088@7.796 7.796 1 1207.5088 896.9956@7.801 7.801 1 896.9956 1035.5109@7.803 7.803 1 1035.5109 388.9666@7.965 7.965 1 388.9666 733.9688@8.541 8.541 1 733.9688 851.2424@1.015 1.015 1 851.2424 688.5881@1.0236667 1.0236667 3 688.5881 614.5681@1.028 1.028 1 614.5681 631.352@1.078 1.078 1 631.352 679.1841@1.082 1.082 1 679.1841 598.2443@1.089 1.089 3 598.2443 513.4322@1.086 1.086 1 513.4322 400.2091@1.106 1.106 1 400.2091 493.3055@1.148 1.148 1 493.3055 1160.4625@1.157 1.157 1 1160.4625 212.1071@1.1885 1.1885 2 212.1071 614.2381@1.193 1.193 1 614.2381 567.221@1.2033333 1.2033333 3 567.221 328.107@1.208 1.208 1 328.107 186.1283@1.2042 1.2042 5 186.1283 465.275@1.25 1.25 1 465.275 187.0864@1.303 1.303 3 187.0864 658.2673@1.464 1.464 1 658.2673 638.152@1.522 1.522 1 638.152 633.4451@1.7165 1.7165 2 633.4451 157.0746@2.9420002 2.9420002 3 157.0746 233.1637@4.6 4.6 2 233.1637 177.1269@4.7792497 4.7792497 4 177.1269 300.1833@5.3794003 5.3794003 5 300.1833 695.43@5.4105 5.4105 2 695.43 838.508@5.498 5.498 1 838.508 209.1182@5.633 5.633 1 209.1182 1206.3369@5.706 5.706 1 1206.3369 783.574@5.85 5.85 1 783.574 772.6101@6.241 6.241 1 772.6101 300.1048@6.243 6.243 1 300.1048 750.5651@6.6312504 6.6312504 4 750.5651 757.6105@6.669 6.669 1 757.6105 757.6127@6.721 6.721 3 757.6127 757.6167@6.888 6.888 1 757.6167 275.1761@7.2790003 7.2790003 4 275.1761 578.5292@1.0209999 1.0209999 5 578.5292 805.6507@1.023 1.023 1 805.6507 606.5589@1.0265 1.0265 2 606.5589 520.3536@1.0365 1.0365 4 520.3536 454.3133@1.043 1.043 2 454.3133 668.3249@1.06 1.06 1 668.3249 973.8055@1.0636001 1.0636001 5 973.8055 342.2039@1.064 1.064 2 342.2039 323.2462@1.07775 1.07775 4 323.2462 702.6997@1.1341999 1.1341999 5 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764.5746 398.3341@1.0886666 1.0886666 3 398.3341 622.5878@1.0395 1.0395 2 622.5878 394.3437@1.061 1.061 1 394.3437 310.253@1.064 1.064 1 310.253 524.1737@1.0715 1.0715 6 524.1737 400.3487@1.076 1.076 1 400.3487 196.1812@1.0845001 1.0845001 2 196.1812 354.3111@1.087 1.087 1 354.3111 488.3527@1.091 1.091 1 488.3527 98.0731@1.1165 1.1165 2 98.0731 198.1269@1.1220001 1.1220001 3 198.1269 200.1795@1.13075 1.13075 4 200.1795 394.2731@1.131 1.131 2 394.2731 402.348@1.144 1.144 1 402.348 233.1276@1.146 1.146 1 233.1276 194.1205@1.15 1.15 1 194.1205 488.352@1.155 1.155 1 488.352 558.4563@1.162 1.162 2 558.4563 961.7435@1.1835 1.1835 2 961.7435 428.1836@1.1885 1.1885 2 428.1836 200.1421@1.193 1.193 1 200.1421 245.2014@1.1996666 1.1996666 3 245.2014 234.0006@1.551 1.551 2 234.0006 342.0638@1.7635 1.7635 2 342.0638 773.5323@4.638 4.638 1 773.5323 570.7326@5.7136 5.7136 5 570.7326 813.5887@5.725 5.725 1 813.5887 568.3386@6.488 6.488 1 568.3386 129.0794@6.557 6.557 1 129.0794 1038.665@6.7 6.7 2 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216.0835 70.0411@1.569 1.569 1 70.0411 278.2029@4.381 4.381 1 278.2029 791.5798@5.257 5.257 2 791.5798 815.6126@5.4750004 5.4750004 2 815.6126 223.1587@5.514 5.514 2 223.1587 837.6028@5.4658 5.4658 5 837.6028 815.5762@5.7135 5.7135 2 815.5762 571.2341@5.715 5.715 4 571.2341 777.6341@5.7953334 5.7953334 3 777.6341 169.1221@5.8995 5.8995 2 169.1221 185.9741@7.153 7.153 1 185.9741 254.094@7.864 7.864 1 254.094 850.2455@1.0145 1.0145 6 850.2455 924.7208@1.014 1.014 1 924.7208 779.2136@1.0245 1.0245 2 779.2136 222.9819@1.086 1.086 2 222.9819 431.3796@1.0526667 1.0526667 3 431.3796 432.2341@1.1327999 1.1327999 5 432.2341 592.5606@1.115 1.115 1 592.5606 232.1755@1.115 1.115 2 232.1755 283.2875@1.157 1.157 1 283.2875 494.0699@2.858 2.858 1 494.0699 821.5999@5.381334 5.381334 3 821.5999 1196.3394@5.4615 5.4615 2 1196.3394 799.0684@5.489 5.489 1 799.0684 1566.1345@5.493 5.493 1 1566.1345 1159.8331@5.534 5.534 1 1159.8331 717.5335@5.541 5.541 1 717.5335 266.2212@5.665 5.665 1 266.2212 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615.2431 644.1538@1.558 1.558 1 644.1538 676.1662@2.7465 2.7465 2 676.1662 570.1584@2.876 2.876 1 570.1584 276.0831@3.005 3.005 1 276.0831 837.504@5.5416665 5.5416665 3 837.504 165.1003@6.172 6.172 1 165.1003 136.0245@6.249 6.249 1 136.0245 1509.2981@6.685 6.685 1 1509.2981 176.1529@10.245 10.245 1 176.1529 619.5253@1.0215 1.0215 2 619.5253 743.5823@1.0226667 1.0226667 3 743.5823 478.3868@1.067 1.067 1 478.3868 553.4746@1.0782499 1.0782499 4 553.4746 324.2315@1.12 1.12 2 324.2315 621.6046@1.1275 1.1275 2 621.6046 429.2154@1.231 1.231 1 429.2154 409.3186@1.3355 1.3355 2 409.3186 259.0409@1.391 1.391 1 259.0409 374.1716@1.894 1.894 1 374.1716 459.3071@3.204 3.204 1 459.3071 547.3583@3.469 3.469 1 547.3583 503.3321@3.544 3.544 1 503.3321 711.0006@5.1555 5.1555 2 711.0006 871.6426@5.353 5.353 1 871.6426 777.0349@5.4245 5.4245 2 777.0349 799.0719@5.7142 5.7142 10 799.0719 1218.774@5.721 5.721 1 1218.774 909.5138@5.8005 5.8005 4 909.5138 687.449@6.123 6.123 1 687.449 429.3096@6.2225 6.2225 2 429.3096 376.135@7.023 7.023 1 376.135 705.0346@7.788 7.788 1 705.0346 207.0209@0.7373333 0.7373333 3 207.0209 1040.0624@0.773 0.773 1 1040.0624 939.7142@0.775 0.775 1 939.7142 872.6916@1.012 1.012 1 872.6916 851.7017@1.0645 1.0645 2 851.7017 627.4854@1.025 1.025 1 627.4854 410.3626@1.068 1.068 1 410.3626 301.2214@1.111 1.111 3 301.2214 522.3565@1.081 1.081 1 522.3565 456.3708@1.105 1.105 3 456.3708 129.0259@1.126 1.126 1 129.0259 581.4582@1.117 1.117 2 581.4582 849.7761@1.262 1.262 1 849.7761 367.2718@1.264 1.264 1 367.2718 134.0737@1.536 1.536 1 134.0737 757.5058@1.611 1.611 1 757.5058 68.0262@2.9113333 2.9113333 3 68.0262 127.0345@2.892 2.892 3 127.0345 147.0532@3.6275 3.6275 2 147.0532 768.5857@5.468 5.468 2 768.5857 538.1119@6.668 6.668 1 538.1119 990.6642@6.717 6.717 2 990.6642 172.9544@12.47 12.47 1 172.9544 463.3527@1.055 1.055 1 463.3527 515.4194@1.076 1.076 2 515.4194 254.1967@1.102 1.102 1 254.1967 512.4088@1.136 1.136 1 512.4088 493.2473@1.499 1.499 1 493.2473 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843.6428@5.522 5.522 1 843.6428 818.6284@5.569 5.569 1 818.6284 818.629@5.607 5.607 1 818.629 762.5854@5.6140003 5.6140003 2 762.5854 980.8162@5.723 5.723 1 980.8162 781.56@6.323 6.323 1 781.56 752.2519@6.6870003 6.6870003 2 752.2519 1025.7028@6.694 6.694 1 1025.7028 757.3896@0.92766666 0.92766666 3 757.3896 682.387@0.928 0.928 2 682.387 1176.4884@0.929 0.929 1 1176.4884 852.3113@0.9306667 0.9306667 3 852.3113 698.2481@1.0125 1.0125 2 698.2481 858.7498@1.0595 1.0595 2 858.7498 326.2456@1.067 1.067 1 326.2456 516.3839@1.087 1.087 1 516.3839 978.8106@1.10475 1.10475 4 978.8106 72.0575@1.2093333 1.2093333 3 72.0575 431.2154@1.576 1.576 1 431.2154 172.1216@2.9815001 2.9815001 2 172.1216 378.1881@2.997 2.997 3 378.1881 329.3292@4.1035 4.1035 4 329.3292 129.1517@4.207 4.207 1 129.1517 1143.7771@5.7130003 5.7130003 2 1143.7771 193.082@5.8634286 5.8634286 7 193.082 398.1117@6.558 6.558 1 398.1117 296.0737@6.564 6.564 1 296.0737 772.2124@6.7026668 6.7026668 3 772.2124 184.1218@8.123501 8.123501 2 184.1218 969.2096@1.007 1.007 1 969.2096 1298.3542@1.009 1.009 1 1298.3542 822.1595@1.013 1.013 1 822.1595 655.5343@1.069 1.069 2 655.5343 728.1271@1.018 1.018 1 728.1271 415.3585@1.0225 1.0225 2 415.3585 176.1494@1.077 1.077 1 176.1494 534.3954@1.088 1.088 1 534.3954 210.1257@1.1296 1.1296 5 210.1257 297.24@1.131 1.131 1 297.24 311.3149@1.151 1.151 1 311.3149 240.1387@1.224 1.224 1 240.1387 320.9919@2.901 2.901 1 320.9919 71.0735@5.4459996 5.4459996 3 71.0735 753.5352@5.459 5.459 1 753.5352 753.5275@5.551 5.551 1 753.5275 809.5859@6.629 6.629 1 809.5859 185.106@6.872 6.872 1 185.106 158.0693@7.6134996 7.6134996 2 158.0693 164.1137@7.761 7.761 1 164.1137 228.0904@0.689 0.689 1 228.0904 343.1536@1.069 1.069 1 343.1536 362.1724@1.073 1.073 1 362.1724 238.2296@1.077 1.077 1 238.2296 549.4293@1.119 1.119 1 549.4293 270.2114@1.1613333 1.1613333 3 270.2114 227.1891@1.2160001 1.2160001 2 227.1891 371.2107@1.421 1.421 2 371.2107 477.1897@1.7390001 1.7390001 2 477.1897 280.1341@1.8145001 1.8145001 2 280.1341 279.138@1.816 1.816 1 279.138 643.489@1.898 1.898 1 643.489 367.1296@2.977 2.977 1 367.1296 188.0698@3.3615 3.3615 2 188.0698 833.5933@5.34 5.34 1 833.5933 159.1258@5.509 5.509 1 159.1258 866.5242@5.755 5.755 1 866.5242 124.0616@6.071 6.071 1 124.0616 296.0145@6.727 6.727 1 296.0145 344.0099@7.779 7.779 1 344.0099 379.1451@0.7 0.7 1 379.1451 372.2521@1.0565 1.0565 2 372.2521 433.3658@1.09 1.09 2 433.3658 414.3602@1.066 1.066 1 414.3602 274.2285@1.068 1.068 1 274.2285 436.4258@1.0845001 1.0845001 2 436.4258 328.2612@1.146 1.146 2 328.2612 587.4773@1.102 1.102 1 587.4773 512.3526@1.1413333 1.1413333 3 512.3526 431.3138@1.192 1.192 1 431.3138 240.088@1.9925001 1.9925001 2 240.088 303.0799@2.1531665 2.1531665 6 303.0799 255.1969@2.169 2.169 1 255.1969 595.9796@2.788 2.788 1 595.9796 410.1368@2.854 2.854 1 410.1368 180.0488@3.149 3.149 1 180.0488 491.2161@3.277 3.277 1 491.2161 666.4743@4.917 4.917 4 666.4743 259.1895@5.282 5.282 1 259.1895 833.3466@6.686 6.686 2 833.3466 711.6032@1.016 1.016 1 711.6032 635.5099@1.09 1.09 1 635.5099 623.5082@1.0610001 1.0610001 2 623.5082 248.1778@1.1185 1.1185 2 248.1778 302.1373@1.129 1.129 1 302.1373 612.4996@1.1236666 1.1236666 3 612.4996 602.2147@1.157 1.157 2 602.2147 197.0458@1.244 1.244 1 197.0458 536.1121@1.48525 1.48525 4 536.1121 612.2226@1.706 1.706 1 612.2226 260.9302@2.145 2.145 1 260.9302 404.1542@2.9689999 2.9689999 2 404.1542 311.356@4.247 4.247 5 311.356 826.6325@5.476 5.476 1 826.6325 1565.1305@5.71 5.71 1 1565.1305 887.5729@5.715 5.715 1 887.5729 667.8622@5.723 5.723 1 667.8622 972.6223@5.875 5.875 1 972.6223 717.5828@6.6555 6.6555 2 717.5828 748.1388@1.018 1.018 1 748.1388 839.1973@1.019 1.019 1 839.1973 417.3469@1.0655 1.0655 2 417.3469 407.1727@1.127 1.127 1 407.1727 308.1629@1.138 1.138 1 308.1629 153.054@2.278 2.278 1 153.054 300.1988@2.749 2.749 1 300.1988 99.1046@4.775 4.775 3 99.1046 828.5485@5.3385 5.3385 2 828.5485 881.5189@5.706 5.706 1 881.5189 878.8333@5.7185 5.7185 2 878.8333 290.0787@6.087 6.087 1 290.0787 1223.049@6.695 6.695 1 1223.049 516.1519@6.701 6.701 1 516.1519 745.5985@6.711 6.711 1 745.5985 128.0585@7.321 7.321 2 128.0585 690.005@7.843 7.843 2 690.005 190.0668@8.267 8.267 2 190.0668 154.0745@8.3675 8.3675 2 154.0745 214.159@1.0845 1.0845 2 214.159 753.4643@1.149 1.149 1 753.4643 447.3397@1.181 1.181 1 447.3397 373.2826@1.232 1.232 1 373.2826 285.1375@1.243 1.243 1 285.1375 168.0289@1.584 1.584 1 168.0289 458.0894@1.588 1.588 1 458.0894 150.1367@1.709 1.709 1 150.1367 166.0642@2.789 2.789 1 166.0642 452.1563@3.772 3.772 1 452.1563 144.0425@3.773 3.773 1 144.0425 293.1403@3.775 3.775 1 293.1403 213.246@4.087 4.087 3 213.246 700.5233@4.711 4.711 1 700.5233 794.6016@5.391 5.391 1 794.6016 265.1689@5.501 5.501 1 265.1689 1435.9131@6.684 6.684 3 1435.9131 425.2053@7.0695 7.0695 2 425.2053 348.0106@8.6485 8.6485 2 348.0106 981.7531@1.005 1.005 1 981.7531 989.7422@1.011 1.011 3 989.7422 776.2263@1.016 1.016 1 776.2263 994.7771@1.02025 1.02025 4 994.7771 789.664@1.0195 1.0195 2 789.664 356.2917@1.038 1.038 3 356.2917 256.2178@1.065 1.065 1 256.2178 460.3872@1.0772 1.0772 5 460.3872 498.4018@1.0755 1.0755 2 498.4018 648.5015@1.088 1.088 1 648.5015 350.1749@1.117 1.117 1 350.1749 403.3423@1.157 1.157 1 403.3423 371.2868@1.188 1.188 1 371.2868 627.1901@1.321 1.321 1 627.1901 1007.8022@5.714333 5.714333 3 1007.8022 339.2417@6.032 6.032 1 339.2417 441.3442@6.262 6.262 4 441.3442 118.9952@6.823 6.823 1 118.9952 696.0205@8.537 8.537 1 696.0205 949.6263@1.0156667 1.0156667 3 949.6263 451.4001@1.059 1.059 1 451.4001 305.1418@1.075 1.075 1 305.1418 371.3051@1.0845001 1.0845001 2 371.3051 335.1527@1.1 1.1 1 335.1527 232.1356@1.1324999 1.1324999 2 232.1356 612.2234@1.197 1.197 1 612.2234 566.2178@1.204 1.204 1 566.2178 597.2331@1.237 1.237 1 597.2331 225.1366@1.264 1.264 1 225.1366 318.1218@1.402 1.402 1 318.1218 349.0231@2.957 2.957 1 349.0231 228.0424@2.999 2.999 1 228.0424 501.3613@4.212 4.212 2 501.3613 413.7754@5.711 5.711 1 413.7754 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4 63.0084 554.1695@1.038 1.038 1 554.1695 371.0946@1.038 1.038 1 371.0946 633.4478@1.083 1.083 2 633.4478 532.3767@1.14 1.14 1 532.3767 272.2006@1.193 1.193 1 272.2006 283.2139@1.264 1.264 1 283.2139 551.0543@2.3920002 2.3920002 2 551.0543 1082.7961@5.722 5.722 1 1082.7961 1013.545@5.792 5.792 1 1013.545 821.5371@5.8465004 5.8465004 2 821.5371 567.4008@6.67 6.67 1 567.4008 103.0995@6.703 6.703 1 103.0995 633.2179@6.721 6.721 1 633.2179 105.0426@6.739 6.739 1 105.0426 172.1221@8.645 8.645 1 172.1221 1055.7501@0.997 0.997 1 1055.7501 1010.7727@1.0 1 1 1010.7727 1002.7631@1.001 1.001 1 1002.7631 946.7087@1.004 1.004 1 946.7087 887.7007@1.012 1.012 1 887.7007 861.6869@1.013 1.013 1 861.6869 849.6826@1.014 1.014 1 849.6826 525.4531@1.038 1.038 2 525.4531 463.1239@1.045 1.045 2 463.1239 200.1699@1.082 1.082 1 200.1699 266.0527@1.694 1.694 1 266.0527 837.6008@5.468 5.468 1 837.6008 136.0253@5.711 5.711 1 136.0253 244.1437@6.732 6.732 1 244.1437 354.0056@8.367 8.367 1 354.0056 624.2298@1.013 1.013 3 624.2298 223.1675@1.088 1.088 1 223.1675 132.0874@1.158 1.158 1 132.0874 515.3894@1.2623333 1.2623333 3 515.3894 140.0293@3.01 3.01 1 140.0293 563.6345@3.6275 3.6275 2 563.6345 465.5278@3.6345 3.6345 2 465.5278 563.6361@3.7535 3.7535 2 563.6361 737.5354@4.61125 4.61125 4 737.5354 739.551@5.4014997 5.4014997 2 739.551 195.1018@5.6786666 5.6786666 3 195.1018 159.03@5.695 5.695 2 159.03 1150.7854@5.709 5.709 1 1150.7854 799.5373@5.814 5.814 1 799.5373 179.0951@7.364 7.364 1 179.0951 705.5847@1.015 1.015 1 705.5847 675.5377@1.02 1.02 1 675.5377 863.724@1.022 1.022 1 863.724 584.5205@1.026 1.026 1 584.5205 766.6867@1.0565 1.0565 2 766.6867 604.475@1.0895001 1.0895001 4 604.475 725.6046@1.107 1.107 1 725.6046 603.4199@1.1336666 1.1336666 3 603.4199 359.3038@1.158 1.158 1 359.3038 267.2565@1.28 1.28 1 267.2565 190.1145@1.6349999 1.6349999 3 190.1145 201.0393@3.0663335 3.0663335 3 201.0393 863.5592@4.617 4.617 1 863.5592 603.5301@4.632 4.632 1 603.5301 493.2773@4.838 4.838 1 493.2773 465.3618@1.104 1.104 1 465.3618 424.3213@1.116 1.116 1 424.3213 335.2343@1.12 1.12 1 335.2343 289.2074@1.148 1.148 1 289.2074 302.1262@1.261 1.261 1 302.1262 254.1878@1.209 1.209 2 254.1878 123.1049@1.534 1.534 1 123.1049 642.1513@1.568 1.568 1 642.1513 279.1149@2.157 2.157 1 279.1149 308.1046@4.6495 4.6495 2 308.1046 788.5442@5.735 5.735 1 788.5442 163.0677@6.348 6.348 1 163.0677 145.1103@6.624 6.624 1 145.1103 1018.5109@6.712 6.712 1 1018.5109 216.0794@0.8255 0.8255 2 216.0794 477.989@0.828 0.828 1 477.989 330.2282@1.072 1.072 1 330.2282 458.3669@1.075 1.075 1 458.3669 621.4051@1.0855 1.0855 2 621.4051 600.5163@1.091 1.091 1 600.5163 438.3496@1.0883332 1.0883332 3 438.3496 653.3251@1.158 1.158 1 653.3251 195.1461@1.376 1.376 1 195.1461 661.399@2.225 2.225 1 661.399 423.1527@3.4585 3.4585 2 423.1527 217.1324@6.3615 6.3615 2 217.1324 1194.4884@6.689 6.689 1 1194.4884 1199.1581@6.69 6.69 1 1199.1581 999.2812@1.0073334 1.0073334 3 999.2812 426.3372@1.117 1.117 3 426.3372 426.2615@1.118 1.118 1 426.2615 182.1674@1.175 1.175 1 182.1674 224.1843@1.189 1.189 1 224.1843 241.0976@2.913 2.913 1 241.0976 1320.7532@5.723 5.723 1 1320.7532 311.1513@6.66 6.66 1 311.1513 787.6076@6.688 6.688 3 787.6076 542.1242@6.666 6.666 1 542.1242 175.0961@7.591 7.591 1 175.0961 812.6764@7.781 7.781 1 812.6764 216.0754@8.369 8.369 1 216.0754 349.0125@8.565 8.565 1 349.0125 231.0578@0.761 0.761 1 231.0578 318.2675@1.08 1.08 1 318.2675 256.2036@1.123 1.123 1 256.2036 591.3194@1.234 1.234 1 591.3194 395.3264@1.3305 1.3305 2 395.3264 228.1473@1.716 1.716 1 228.1473 629.4719@2.1009998 2.1009998 2 629.4719 689.4921@2.897 2.897 1 689.4921 157.0402@2.93 2.93 1 157.0402 520.2312@3.54 3.54 1 520.2312 836.6116@5.386 5.386 1 836.6116 836.611@5.439 5.439 1 836.611 744.5851@6.133 6.133 1 744.5851 167.0583@0.779 0.779 1 167.0583 181.0747@0.887 0.887 1 181.0747 398.3136@1.127 1.127 1 398.3136 428.222@1.146 1.146 1 428.222 297.1602@2.036 2.036 1 297.1602 373.1024@2.043 2.043 1 373.1024 207.0651@2.239 2.239 1 207.0651 357.1356@4.054 4.054 1 357.1356 268.0523@4.06 4.06 1 268.0523 151.0638@6.086 6.086 1 151.0638 392.0261@6.551 6.551 1 392.0261 188.1163@7.7465 7.7465 2 188.1163 707.0293@7.911 7.911 1 707.0293 1130.2882@1.0120001 1.0120001 2 1130.2882 260.141@1.041 1.041 1 260.141 378.2749@1.099 1.099 1 378.2749 281.1848@1.185 1.185 1 281.1848 409.3503@1.2553333 1.2553333 3 409.3503 645.2523@1.466 1.466 1 645.2523 680.2309@1.944 1.944 1 680.2309 304.0735@3.4045 3.4045 2 304.0735 855.5736@5.215 5.215 1 855.5736 455.743@5.711 5.711 1 455.743 316.0407@5.729 5.729 1 316.0407 635.4173@6.122 6.122 1 635.4173 916.7819@1.021 1.021 1 916.7819 833.7084@1.023 1.023 2 833.7084 710.6162@1.026 1.026 1 710.6162 640.5746@1.028 1.028 1 640.5746 371.335@1.0343333 1.0343333 3 371.335 505.0807@1.067 1.067 1 505.0807 606.2467@1.08 1.08 1 606.2467 224.1067@2.162 2.162 1 224.1067 272.0759@2.797 2.797 1 272.0759 946.8194@5.7159996 5.7159996 2 946.8194 1594.9888@6.6879997 6.6879997 2 1594.9888 833.8456@6.687 6.687 1 833.8456 886.7451@1.036 1.036 1 886.7451 377.2396@1.061 1.061 1 377.2396 381.1773@1.0625 1.0625 2 381.1773 983.7686@1.109 1.109 1 983.7686 287.1768@1.115 1.115 1 287.1768 364.2959@1.124 1.124 1 364.2959 129.1148@1.258 1.258 2 129.1148 478.1972@1.639 1.639 1 478.1972 340.2362@2.167 2.167 1 340.2362 592.4355@4.41 4.41 1 592.4355 763.2152@6.684 6.684 2 763.2152 976.7546@1.004 1.004 1 976.7546 931.7282@1.0095 1.0095 2 931.7282 1295.3816@1.018 1.018 1 1295.3816 1289.6207@1.042 1.042 1 1289.6207 634.5078@1.084 1.084 1 634.5078 109.095@1.089 1.089 1 109.095 425.2212@1.2793334 1.2793334 3 425.2212 329.1499@1.347 1.347 1 329.1499 157.0638@1.561 1.561 1 157.0638 365.274@3.927 3.927 2 365.274 795.6079@5.86225 5.86225 4 795.6079 400.2851@1.047 1.047 1 400.2851 622.4521@1.13 1.13 1 622.4521 307.2549@1.13 1.13 1 307.2549 436.3655@1.287 1.287 1 436.3655 128.0953@1.65 1.65 1 128.0953 341.2226@1.858 1.858 1 341.2226 234.0734@2.159 2.159 1 234.0734 940.5601@5.472 5.472 2 940.5601 927.5425@5.477 5.477 1 927.5425 940.0482@5.479 5.479 1 940.0482 601.3568@6.646 6.646 1 601.3568 853.2371@1.02 1.02 2 853.2371 641.5769@1.031 1.031 1 641.5769 908.7616@1.054 1.054 1 908.7616 289.2218@1.19 1.19 1 289.2218 364.9946@1.598 1.598 1 364.9946 787.5121@4.644 4.644 2 787.5121 1208.3385@5.376 5.376 1 1208.3385 800.595@5.535 5.535 1 800.595 789.0505@5.749 5.749 1 789.0505 797.3433@6.7180004 6.7180004 2 797.3433 794.3461@6.7200003 6.7200003 2 794.3461 601.4552@1.0195 1.0195 2 601.4552 382.1338@1.0555 1.0555 2 382.1338 412.2201@1.117 1.117 1 412.2201 585.4301@1.125 1.125 1 585.4301 282.1812@1.128 1.128 1 282.1812 192.1359@1.289 1.289 1 192.1359 812.6119@6.2279997 6.2279997 2 812.6119 818.3674@6.664 6.664 1 818.3674 186.9763@6.986 6.986 1 186.9763 147.0734@7.118 7.118 1 147.0734 216.1482@8.707 8.707 1 216.1482 303.2409@1.056 1.056 2 303.2409 315.2782@1.0855 1.0855 2 315.2782 439.3452@1.103 1.103 2 439.3452 264.2457@1.156 1.156 1 264.2457 193.0768@1.191 1.191 1 193.0768 188.119@1.216 1.216 1 188.119 278.2166@1.252 1.252 1 278.2166 186.129@1.707 1.707 1 186.129 630.7957@5.1703334 5.1703334 3 630.7957 760.5811@6.199 6.199 2 760.5811 303.169@6.855 6.855 2 303.169 270.1912@1.076 1.076 1 270.1912 305.2397@1.09 1.09 1 305.2397 414.0344@1.092 1.092 1 414.0344 535.4233@1.0923333 1.0923333 3 535.4233 443.3285@1.1554999 1.1554999 2 443.3285 263.1753@1.223 1.223 1 263.1753 307.2128@1.25 1.25 1 307.2128 265.2404@1.2595 1.2595 2 265.2404 403.1505@2.822 2.822 1 403.1505 102.043@3.102 3.102 1 102.043 1333.0254@6.681 6.681 1 1333.0254 615.9704@0.77 0.77 1 615.9704 263.2314@1.091 1.091 1 263.2314 248.1471@1.119 1.119 1 248.1471 382.2956@1.697 1.697 1 382.2956 533.4194@1.806 1.806 1 533.4194 340.2372@1.929 1.929 1 340.2372 242.1018@2.948 2.948 2 242.1018 763.5513@5.7165003 5.7165003 2 763.5513 810.8475@5.725 5.725 1 810.8475 242.046@5.754 5.754 1 242.046 410.2117@1.072 1.072 1 410.2117 311.2235@1.118 1.118 2 311.2235 270.1941@1.47 1.47 1 270.1941 585.46@4.105 4.105 1 585.46 427.3668@4.117 4.117 1 427.3668 557.4261@4.238 4.238 1 557.4261 543.414@4.337 4.337 1 543.414 387.3351@4.342 4.342 1 387.3351 347.2311@5.275 5.275 1 347.2311 807.5742@5.981 5.981 1 807.5742 1291.3947@1.024 1.024 1 1291.3947 397.3596@1.071 1.071 1 397.3596 404.327@1.072 1.072 1 404.327 407.1143@1.186 1.186 1 407.1143 239.1527@1.236 1.236 1 239.1527 164.0591@1.247 1.247 1 164.0591 200.0955@1.431 1.431 1 200.0955 735.8526@5.721 5.721 1 735.8526 1057.9902@7.804 7.804 1 1057.9902 611.5662@1.026 1.026 1 611.5662 338.2243@1.027 1.027 1 338.2243 411.3403@1.076 1.076 1 411.3403 372.3218@1.092 1.092 1 372.3218 632.463@1.13 1.13 2 632.463 268.1712@1.169 1.169 1 268.1712 1206.4781@6.684 6.684 1 1206.4781 291.1505@6.723 6.723 1 291.1505 257.1652@6.738 6.738 1 257.1652 510.3395@0.758 0.758 1 510.3395 414.3475@1.061 1.061 1 414.3475 303.2076@1.081 1.081 3 303.2076 291.2783@1.128 1.128 1 291.2783 265.1809@1.141 1.141 1 265.1809 259.2151@1.1673332 1.1673332 3 259.2151 242.1757@3.067 3.067 1 242.1757 179.0812@3.767 3.767 1 179.0812 743.5832@6.148 6.148 1 743.5832 354.2558@1.2 1.2 1 354.2558 207.1839@1.228 1.228 1 207.1839 232.1859@1.297 1.297 1 232.1859 676.2913@1.594 1.594 1 676.2913 183.0396@1.7 1.7 1 183.0396 414.2469@3.991 3.991 1 414.2469 463.3795@5.97 5.97 1 463.3795 161.1064@6.305 6.305 1 161.1064 359.1713@6.658 6.658 1 359.1713 952.7532@1.01 1.01 1 952.7532 669.557@1.025 1.025 1 669.557 757.3415@1.03 1.03 1 757.3415 396.3538@1.124 1.124 1 396.3538 178.0783@1.143 1.143 1 178.0783 242.0814@1.236 1.236 1 242.0814 145.053@1.927 1.927 1 145.053 151.0953@4.946 4.946 1 151.0953 799.5179@5.305 5.305 1 799.5179 548.4953@1.02 1.02 1 548.4953 204.1361@1.174 1.174 1 204.1361 207.1611@1.395 1.395 1 207.1611 463.2753@1.569 1.569 1 463.2753 613.4772@1.7839999 1.7839999 2 613.4772 463.277@3.388 3.388 1 463.277 815.6316@3.432 3.432 1 815.6316 833.571@5.798 5.798 1 833.571 757.5623@6.23 6.23 1 757.5623 384.9345@0.7205 0.7205 2 384.9345 388.9287@0.723 0.723 1 388.9287 317.2162@1.075 1.075 1 317.2162 398.1912@1.085 1.085 1 398.1912 423.3017@1.171 1.171 1 423.3017 298.1342@1.254 1.254 1 298.1342 584.4643@1.321 1.321 1 584.4643 398.3867@4.691 4.691 1 398.3867 1093.4418@6.683 6.683 1 1093.4418 488.4271@1.09 1.09 1 488.4271 382.3036@1.115 1.115 1 382.3036 251.224@1.225 1.225 1 251.224 98.0373@2.959 2.959 1 98.0373 553.2883@3.376 3.376 1 553.2883 198.0567@3.741 3.741 1 198.0567 385.1598@6.264 6.264 1 385.1598 372.0363@7.102 7.102 1 372.0363 471.3375@1.0415 1.0415 2 471.3375 595.1867@1.047 1.047 1 595.1867 911.7867@1.086 1.086 1 911.7867 635.621@1.127 1.127 1 635.621 888.796@1.129 1.129 1 888.796 265.2155@1.155 1.155 1 265.2155 878.8025@1.19 1.19 1 878.8025 1351.36@1.331 1.331 1 1351.36 939.7268@1.008 1.008 1 939.7268 676.4841@1.066 1.066 1 676.4841 415.2971@1.088 1.088 1 415.2971 110.0733@1.092 1.092 1 110.0733 435.2459@1.155 1.155 3 435.2459 491.3826@2.305 2.305 1 491.3826 243.0964@2.919 2.919 1 243.0964 134.1593@5.668 5.668 1 134.1593 213.1012@0.925 0.925 1 213.1012 274.0626@0.934 0.934 1 274.0626 605.4483@1.126 1.126 1 605.4483 600.4464@1.146 1.146 1 600.4464 887.7906@1.169 1.169 1 887.7906 262.082@1.271 1.271 1 262.082 201.2096@3.831 3.831 1 201.2096 141.0792@6.666 6.666 1 141.0792 834.75@1.094 1.094 1 834.75 722.6256@1.099 1.099 1 722.6256 210.1634@1.135 1.135 1 210.1634 132.0787@1.277 1.277 1 132.0787 583.4675@1.294 1.294 1 583.4675 296.2835@1.303 1.303 1 296.2835 140.0836@1.346 1.346 1 140.0836 499.389@3.694 3.694 1 499.389 389.105@1.055 1.055 1 389.105 168.102@1.176 1.176 1 168.102 145.1104@1.605 1.605 1 145.1104 116.0938@1.614 1.614 1 116.0938 144.1012@5.981 5.981 1 144.1012 533.2919@6.613 6.613 1 533.2919 874.9654@6.718 6.718 1 874.9654 474.2931@1.09 1.09 2 474.2931 442.323@1.124 1.124 1 442.323 176.1127@1.201 1.201 1 176.1127 302.0734@2.988 2.988 1 302.0734 225.0176@5.864 5.864 1 225.0176 199.1222@7.108 7.108 1 199.1222 206.1539@9.126 9.126 1 206.1539 931.6161@1.012 1.012 1 931.6161 717.5524@1.123 1.123 1 717.5524 586.4282@1.1335 1.1335 2 586.4282 313.2299@1.187 1.187 1 313.2299 467.3612@1.26 1.26 1 467.3612 546.2117@1.2605 1.2605 2 546.2117 315.1342@1.8069999 1.8069999 2 315.1342 439.0934@0.733 0.733 1 439.0934 272.2142@0.925 0.925 1 272.2142 254.2052@0.926 0.926 1 254.2052 570.437@1.024 1.024 1 570.437 374.3265@1.076 1.076 1 374.3265 566.4574@1.108 1.108 1 566.4574 426.1161@2.806 2.806 1 426.1161 320.127@1.086 1.086 1 320.127 648.4658@1.1235 1.1235 2 648.4658 308.1281@1.171 1.171 1 308.1281 468.3641@1.188 1.188 1 468.3641 596.2277@1.198 1.198 1 596.2277 693.6248@3.714 3.714 1 693.6248 738.2777@6.67 6.67 1 738.2777 877.7145@1.027 1.027 1 877.7145 220.1823@1.073 1.073 1 220.1823 382.3905@1.142 1.142 1 382.3905 374.2228@1.2804999 1.2804999 2 374.2228 205.074@1.843 1.843 1 205.074 722.5321@6.467 6.467 1 722.5321 331.1994@6.91 6.91 1 331.1994 606.4589@1.089 1.089 1 606.4589 428.3363@1.111 1.111 1 428.3363 318.1823@1.169 1.169 1 318.1823 332.0927@2.964 2.964 1 332.0927 548.4087@3.963 3.963 1 548.4087 475.3483@4.3085003 4.3085003 2 475.3483 539.9142@7.738 7.738 1 539.9142 329.292@1.049 1.049 1 329.292 266.1712@1.179 1.179 1 266.1712 460.2818@2.158 2.158 1 460.2818 786.0656@5.708 5.708 1 786.0656 276.9051@6.041 6.041 1 276.9051 231.149@6.089 6.089 1 231.149 89.0475@7.125 7.125 1 89.0475 994.3207@1.037 1.037 1 994.3207 389.3191@1.062 1.062 1 389.3191 1119.034@2.162 2.162 1 1119.034 556.4089@4.064 4.064 1 556.4089 82.0782@4.777 4.777 1 82.0782 817.0532@5.328 5.328 1 817.0532 780.0465@5.5 5.5 1 780.0465 140.0475@0.73 0.73 1 140.0475 300.0632@1.245 1.245 1 300.0632 318.278@1.267 1.267 1 318.278 131.058@2.1 2.1 1 131.058 446.2376@3.858 3.858 1 446.2376 158.0849@5.748 5.748 1 158.0849 365.2446@1.136 1.136 1 365.2446 342.9737@2.819 2.819 1 342.9737 273.2313@4.316 4.316 1 273.2313 774.5918@5.625 5.625 1 774.5918 542.1823@6.661 6.661 1 542.1823 178.9535@6.838 6.838 1 178.9535 890.775@1.034 1.034 1 890.775 443.2525@1.084 1.084 1 443.2525 278.2027@4.144 4.144 1 278.2027 155.0941@5.754 5.754 1 155.0941 119.0735@5.877 5.877 1 119.0735 760.5822@5.879 5.879 1 760.5822 973.9571@1.037 1.037 1 973.9571 477.3867@1.088 1.088 1 477.3867 141.0791@4.897 4.897 1 141.0791 737.2818@6.685 6.685 1 737.2818 262.0692@13.357 13.357 1 262.0692 354.2738@1.074 1.074 1 354.2738 531.4308@1.12 1.12 1 531.4308 235.1471@1.237 1.237 1 235.1471 769.5078@5.86 5.86 1 769.5078 729.5857@6.661 6.661 1 729.5857 832.2356@1.018 1.018 1 832.2356 508.4501@1.107 1.107 2 508.4501 488.4124@1.132 1.132 1 488.4124 98.0844@1.975 1.975 2 98.0844 358.3079@2.221 2.221 1 358.3079 599.4929@1.087 1.087 1 599.4929 262.1216@1.1865001 1.1865001 2 262.1216 478.197@1.435 1.435 1 478.197 230.164@4.04 4.04 1 230.164 811.6642@7.765 7.765 1 811.6642 198.0785@2.157 2.157 1 198.0785 177.0829@3.818 3.818 1 177.0829 186.1475@4.199 4.199 1 186.1475 195.057@4.509 4.509 1 195.057 168.9788@5.469 5.469 1 168.9788 637.5385@1.082 1.082 1 637.5385 631.4474@1.124 1.124 1 631.4474 173.0147@3.005 3.005 1 173.0147 705.5805@6.659 6.659 1 705.5805 808.9309@7.838 7.838 1 808.9309 413.1514@0.736 0.736 1 413.1514 475.2632@1.576 1.576 1 475.2632 141.0453@3.4 3.4 1 141.0453 139.0307@4.597 4.597 1 139.0307 489.3977@1.114 1.114 1 489.3977 384.3239@1.152 1.152 1 384.3239 209.1271@5.082 5.082 1 209.1271 767.2164@6.67 6.67 1 767.2164 621.4707@1.1164999 1.1164999 2 621.4707 256.1752@1.135 1.135 2 256.1752 176.1054@1.519 1.519 1 176.1054 159.1754@6.952 6.952 1 159.1754 192.1157@1.201 1.201 1 192.1157 313.0855@1.705 1.705 1 313.0855 307.0232@3.001 3.001 1 307.0232 1068.7042@6.638 6.638 1 1068.7042 915.7612@1.025 1.025 1 915.7612 595.4326@1.052 1.052 1 595.4326 234.2345@1.096 1.096 1 234.2345 88.0528@1.223 1.223 1 88.0528 445.1152@1.0439999 1.0439999 2 445.1152 201.2095@4.708 4.708 1 201.2095 1587.9889@6.686 6.686 1 1587.9889 1588.3256@6.687 6.687 1 1588.3256 158.1077@4.645 4.645 1 158.1077 250.0632@4.735 4.735 1 250.0632 158.0203@5.739 5.739 1 158.0203 358.3091@0.917 0.917 1 358.3091 461.3221@1.123 1.123 1 461.3221 573.3115@6.614 6.614 1 573.3115 405.019@0.748 0.748 1 405.019 727.5963@1.042 1.042 1 727.5963 541.4328@4.108 4.108 1 541.4328 299.1953@2.745 2.745 1 299.1953 758.2089@2.968 2.968 1 758.2089 503.1961@6.688 6.688 1 503.1961 354.0619@1.069 1.069 1 354.0619 281.269@1.25 1.25 1 281.269 491.3202@1.088 1.088 1 491.3202 428.1629@1.096 1.096 1 428.1629 384.3715@5.06 5.06 1 384.3715 1278.525@6.684 6.684 1 1278.525 526.4161@1.091 1.091 1 526.4161 METABOLITES_END #END