#METABOLOMICS WORKBENCH SinaiMetabolomics_20230409_004239 DATATRACK_ID:3852 STUDY_ID:ST002576 ANALYSIS_ID:AN005611 PROJECT_ID:PR001661 VERSION 1 CREATED_ON August 19, 2024, 6:17 pm #PROJECT PR:PROJECT_TITLE Role of environmental toxicants in obesity-related cardiovascular disease PR:PROJECT_SUMMARY This project utilizes samples from a cohort of patients undergoing bariatric PR:PROJECT_SUMMARY surgery. Plasma and adipose tissue samples were collected before and after PR:PROJECT_SUMMARY bariatric surgery. Both subcutaneous and visceral adipose tissue were collected. PR:PROJECT_SUMMARY Lipophilic pollutants, particularly persistent organic pollutants (POPs), PR:PROJECT_SUMMARY bioaccumulate in adipose tissue. Therefore, we performed untargeted analysis PR:PROJECT_SUMMARY with LC and GC-HRMS to measure chemicals and metabolites in the samples. These PR:PROJECT_SUMMARY pollutant measures can then be linked to clinical and vascular parameters of PR:PROJECT_SUMMARY cardiometabolic risk and to study the impact of weight loss on chemical levels PR:PROJECT_SUMMARY following marked (20-30%) weight loss. PR:INSTITUTE Icahn School of Medicine at Mount Sinai PR:LAST_NAME Petrick PR:FIRST_NAME Lauren PR:ADDRESS 1428 Madison Avenue, Atran Building PR:EMAIL lauren.petrick@mssm.edu PR:PHONE 9739976141 #STUDY ST:STUDY_TITLE Role of environmental toxicants in obesity-related cardiovascular disease: ST:STUDY_TITLE Plasma untargeted LC-HRMS analysis (part 1 of 3) ST:STUDY_SUMMARY 146 plasma samples were analyzed with untargeted LC-HRMS using HILIC and RP ST:STUDY_SUMMARY chromatography in negative and positive ionization modes. 1031 metabolites were ST:STUDY_SUMMARY annotated ST:INSTITUTE Boston University ST:LAST_NAME Noyan ST:FIRST_NAME Gocke ST:ADDRESS Boston University Medical Center ST:EMAIL Noyan.Gokce@bmc.org ST:PHONE 617414 1565 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Water_blank_01_1 Sample type:Blank_H2O Biospecimen=Matrix; Run_Order=1; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_001; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_001; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_001; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_001; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_001.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_001.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_001.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_001.mzML SUBJECT_SAMPLE_FACTORS - NIST_P_1950_01_1 Sample type:NIST Biospecimen=Plasma; Run_Order=2; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_002; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_002; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_002; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_002; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_002.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_002.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_002.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_002.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P1_20_01_1 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=3; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_003; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_003; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_003; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_003; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_003.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_003.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_003.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_003.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P2_50_01_1 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=4; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_004; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_004; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_004; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_004; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_004.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_004.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_004.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_004.mzML SUBJECT_SAMPLE_FACTORS - H-2K694-PH-00 Sample type:HHEAR_H-2K694-PH-00 Biospecimen=Plasma; Run_Order=5; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_005; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_005; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_005; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_005; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_005.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_005.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_005.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_005.mzML SUBJECT_SAMPLE_FACTORS - H-2JXX3-PH-00 Sample type:HHEAR_H-2JXX3-PH-00 Biospecimen=Plasma; Run_Order=6; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_006; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_006; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_006; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_006; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_006.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_006.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_006.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_006.mzML SUBJECT_SAMPLE_FACTORS - H-2JX43-PH-00 Sample type:HHEAR_H-2JX43-PH-00 Biospecimen=Plasma; Run_Order=7; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_007; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_007; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_007; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_007; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_007.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_007.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_007.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_007.mzML SUBJECT_SAMPLE_FACTORS - H-2K3H4-PH-00 Sample type:HHEAR_H-2K3H4-PH-00 Biospecimen=Plasma; Run_Order=8; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_008; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_008; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_008; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_008; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_008.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_008.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_008.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_008.mzML SUBJECT_SAMPLE_FACTORS - H-2K7M9-PH-00 Sample type:HHEAR_H-2K7M9-PH-00 Biospecimen=Plasma; Run_Order=9; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_009; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_009; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_009; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_009; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_009.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_009.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_009.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_009.mzML SUBJECT_SAMPLE_FACTORS - H-2K2B8-PH-00 Sample type:HHEAR_H-2K2B8-PH-00 Biospecimen=Plasma; Run_Order=10; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_010; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_010; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_010; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_010; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_010.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_010.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_010.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_010.mzML SUBJECT_SAMPLE_FACTORS - H-2K363-PH-00 Sample type:HHEAR_H-2K363-PH-00 Biospecimen=Plasma; Run_Order=11; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_011; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_011; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_011; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_011; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_011.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_011.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_011.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_011.mzML SUBJECT_SAMPLE_FACTORS - H-2JZN3-PH-00 Sample type:HHEAR_H-2JZN3-PH-00 Biospecimen=Plasma; Run_Order=12; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_012; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_012; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_012; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_012; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_012.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_012.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_012.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_012.mzML SUBJECT_SAMPLE_FACTORS - H-2K5Y4-PH-00 Sample type:HHEAR_H-2K5Y4-PH-00 Biospecimen=Plasma; Run_Order=13; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_013; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_013; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_013; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_013; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_013.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_013.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_013.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_013.mzML SUBJECT_SAMPLE_FACTORS - H-6EPB7-PH-00 Sample type:HHEAR_H-6EPB7-PH-00 Biospecimen=Plasma; Run_Order=14; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_014; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_014; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_014; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_014; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_014.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_014.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_014.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_014.mzML SUBJECT_SAMPLE_FACTORS - H-2K2G7-PH-00 Sample type:HHEAR_H-2K2G7-PH-00 Biospecimen=Plasma; Run_Order=15; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_015; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_015; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_015; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_015; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_015.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_015.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_015.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_015.mzML SUBJECT_SAMPLE_FACTORS - H-2K5W9-PH-00 Sample type:HHEAR_H-2K5W9-PH-00 Biospecimen=Plasma; Run_Order=16; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_016; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_016; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_016; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_016; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_016.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_016.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_016.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_016.mzML SUBJECT_SAMPLE_FACTORS - H-2K082-PH-00 Sample type:HHEAR_H-2K082-PH-00 Biospecimen=Plasma; Run_Order=17; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_017; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_017; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_017; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_017; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_017.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_017.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_017.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_017.mzML SUBJECT_SAMPLE_FACTORS - H-2K3G6-PH-00 Sample type:HHEAR_H-2K3G6-PH-00 Biospecimen=Plasma; Run_Order=18; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_018; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_018; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_018; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_018; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_018.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_018.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_018.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_018.mzML SUBJECT_SAMPLE_FACTORS - H-6EDR4-PH-00 Sample type:HHEAR_H-6EDR4-PH-00 Biospecimen=Plasma; Run_Order=19; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_019; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_019; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_019; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_019; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_019.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_019.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_019.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_019.mzML SUBJECT_SAMPLE_FACTORS - H-2K7V9-PH-00 Sample type:HHEAR_H-2K7V9-PH-00 Biospecimen=Plasma; Run_Order=20; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_020; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_020; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_020; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_020; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_020.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_020.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_020.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_020.mzML SUBJECT_SAMPLE_FACTORS - H-2K6Q1-PH-00 Sample type:HHEAR_H-2K6Q1-PH-00 Biospecimen=Plasma; Run_Order=21; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_021; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_021; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_021; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_021; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_021.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_021.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_021.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_021.mzML SUBJECT_SAMPLE_FACTORS - H-2K6L2-PH-00 Sample type:HHEAR_H-2K6L2-PH-00 Biospecimen=Plasma; Run_Order=22; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_022; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_022; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_022; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_022; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_022.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_022.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_022.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_022.mzML SUBJECT_SAMPLE_FACTORS - H-2K3L5-PH-00 Sample type:HHEAR_H-2K3L5-PH-00 Biospecimen=Plasma; Run_Order=23; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_023; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_023; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_023; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_023; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_023.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_023.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_023.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_023.mzML SUBJECT_SAMPLE_FACTORS - H-2K1B9-PH-00 Sample type:HHEAR_H-2K1B9-PH-00 Biospecimen=Plasma; Run_Order=24; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_024; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_024; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_024; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_024; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_024.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_024.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_024.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_024.mzML SUBJECT_SAMPLE_FACTORS - H-2K3Q4-PH-00 Sample type:HHEAR_H-2K3Q4-PH-00 Biospecimen=Plasma; Run_Order=25; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_025; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_025; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_025; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_025; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_025.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_025.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_025.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_025.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P1_20_01_2 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=26; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_026; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_026; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_026; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_026; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_026.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_026.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_026.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_026.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P2_50_01_2 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=27; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_027; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_027; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_027; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_027; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_027.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_027.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_027.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_027.mzML SUBJECT_SAMPLE_FACTORS - H-2K678-PH-00 Sample type:HHEAR_H-2K678-PH-00 Biospecimen=Plasma; Run_Order=28; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_028; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_028; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_028; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_028; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_028.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_028.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_028.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_028.mzML SUBJECT_SAMPLE_FACTORS - H-2K5B5-PH-00 Sample type:HHEAR_H-2K5B5-PH-00 Biospecimen=Plasma; Run_Order=29; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_029; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_029; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_029; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_029; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_029.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_029.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_029.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_029.mzML SUBJECT_SAMPLE_FACTORS - H-2JZM6-PH-00 Sample type:HHEAR_H-2JZM6-PH-00 Biospecimen=Plasma; Run_Order=30; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_030; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_030; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_030; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_030; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_030.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_030.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_030.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_030.mzML SUBJECT_SAMPLE_FACTORS - H-2K1V5-PH-00 Sample type:HHEAR_H-2K1V5-PH-00 Biospecimen=Plasma; Run_Order=31; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_031; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_031; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_031; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_031; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_031.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_031.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_031.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_031.mzML SUBJECT_SAMPLE_FACTORS - H-2K0G9-PH-00 Sample type:HHEAR_H-2K0G9-PH-00 Biospecimen=Plasma; Run_Order=32; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_032; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_032; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_032; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_032; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_032.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_032.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_032.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_032.mzML SUBJECT_SAMPLE_FACTORS - H-2K215-PH-00 Sample type:HHEAR_H-2K215-PH-00 Biospecimen=Plasma; Run_Order=33; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_033; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_033; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_033; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_033; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_033.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_033.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_033.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_033.mzML SUBJECT_SAMPLE_FACTORS - H-2K5V1-PH-00 Sample type:HHEAR_H-2K5V1-PH-00 Biospecimen=Plasma; Run_Order=34; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_034; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_034; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_034; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_034; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_034.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_034.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_034.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_034.mzML SUBJECT_SAMPLE_FACTORS - H-2K7T3-PH-00 Sample type:HHEAR_H-2K7T3-PH-00 Biospecimen=Plasma; Run_Order=35; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_035; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_035; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_035; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_035; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_035.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_035.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_035.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_035.mzML SUBJECT_SAMPLE_FACTORS - H-2K4T6-PH-00 Sample type:HHEAR_H-2K4T6-PH-00 Biospecimen=Plasma; Run_Order=36; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_036; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_036; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_036; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_036; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_036.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_036.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_036.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_036.mzML SUBJECT_SAMPLE_FACTORS - H-2K7B3-PH-00 Sample type:HHEAR_H-2K7B3-PH-00 Biospecimen=Plasma; Run_Order=37; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_037; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_037; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_037; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_037; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_037.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_037.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_037.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_037.mzML SUBJECT_SAMPLE_FACTORS - H-2K1L7-PH-00 Sample type:HHEAR_H-2K1L7-PH-00 Biospecimen=Plasma; Run_Order=38; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_038; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_038; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_038; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_038; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_038.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_038.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_038.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_038.mzML SUBJECT_SAMPLE_FACTORS - H-2K595-PH-00 Sample type:HHEAR_H-2K595-PH-00 Biospecimen=Plasma; Run_Order=39; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_039; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_039; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_039; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_039; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_039.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_039.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_039.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_039.mzML SUBJECT_SAMPLE_FACTORS - H-2K777-PH-00 Sample type:HHEAR_H-2K777-PH-00 Biospecimen=Plasma; Run_Order=40; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_040; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_040; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_040; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_040; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_040.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_040.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_040.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_040.mzML SUBJECT_SAMPLE_FACTORS - H-2K7P2-PH-00 Sample type:HHEAR_H-2K7P2-PH-00 Biospecimen=Plasma; Run_Order=41; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_041; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_041; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_041; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_041; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_041.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_041.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_041.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_041.mzML SUBJECT_SAMPLE_FACTORS - H-2K3W1-PH-00 Sample type:HHEAR_H-2K3W1-PH-00 Biospecimen=Plasma; Run_Order=42; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_042; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_042; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_042; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_042; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_042.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_042.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_042.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_042.mzML SUBJECT_SAMPLE_FACTORS - H-2K4U4-PH-00 Sample type:HHEAR_H-2K4U4-PH-00 Biospecimen=Plasma; Run_Order=43; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_043; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_043; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_043; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_043; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_043.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_043.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_043.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_043.mzML SUBJECT_SAMPLE_FACTORS - H-2K3U5-PH-00 Sample type:HHEAR_H-2K3U5-PH-00 Biospecimen=Plasma; Run_Order=44; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_044; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_044; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_044; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_044; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_044.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_044.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_044.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_044.mzML SUBJECT_SAMPLE_FACTORS - H-6EE15-PH-00 Sample type:HHEAR_H-6EE15-PH-00 Biospecimen=Plasma; Run_Order=45; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_045; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_045; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_045; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_045; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_045.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_045.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_045.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_045.mzML SUBJECT_SAMPLE_FACTORS - H-2K7J5-PH-00 Sample type:HHEAR_H-2K7J5-PH-00 Biospecimen=Plasma; Run_Order=46; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_046; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_046; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_046; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_046; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_046.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_046.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_046.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_046.mzML SUBJECT_SAMPLE_FACTORS - H-2K124-PH-00 Sample type:HHEAR_H-2K124-PH-00 Biospecimen=Plasma; Run_Order=47; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_047; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_047; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_047; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_047; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_047.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_047.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_047.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_047.mzML SUBJECT_SAMPLE_FACTORS - H-2K0M6-PH-00 Sample type:HHEAR_H-2K0M6-PH-00 Biospecimen=Plasma; Run_Order=48; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_048; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_048; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_048; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_048; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_048.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_048.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_048.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_048.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P1_20_01_3 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=49; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_049; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_049; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_049; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_049; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_049.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_049.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_049.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_049.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P2_50_01_3 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=50; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_050; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_050; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_050; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_050; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_050.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_050.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_050.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_050.mzML SUBJECT_SAMPLE_FACTORS - H-2K7W7-PH-00 Sample type:HHEAR_H-2K7W7-PH-00 Biospecimen=Plasma; Run_Order=51; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_051; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_051; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_051; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_051; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_051.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_051.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_051.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_051.mzML SUBJECT_SAMPLE_FACTORS - H-2K5X6-PH-00 Sample type:HHEAR_H-2K5X6-PH-00 Biospecimen=Plasma; Run_Order=52; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_052; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_052; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_052; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_052; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_052.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_052.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_052.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_052.mzML SUBJECT_SAMPLE_FACTORS - H-2K140-PH-00 Sample type:HHEAR_H-2K140-PH-00 Biospecimen=Plasma; Run_Order=53; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_053; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_053; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_053; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_053; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_053.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_053.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_053.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_053.mzML SUBJECT_SAMPLE_FACTORS - H-2K4P5-PH-00 Sample type:HHEAR_H-2K4P5-PH-00 Biospecimen=Plasma; Run_Order=54; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_054; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_054; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_054; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_054; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_054.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_054.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_054.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_054.mzML SUBJECT_SAMPLE_FACTORS - H-2K066-PH-00 Sample type:HHEAR_H-2K066-PH-00 Biospecimen=Plasma; Run_Order=55; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_055; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_055; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_055; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_055; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_055.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_055.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_055.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_055.mzML SUBJECT_SAMPLE_FACTORS - H-2K561-PH-00 Sample type:HHEAR_H-2K561-PH-00 Biospecimen=Plasma; Run_Order=56; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_056; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_056; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_056; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_056; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_056.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_056.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_056.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_056.mzML SUBJECT_SAMPLE_FACTORS - H-2K538-PH-00 Sample type:HHEAR_H-2K538-PH-00 Biospecimen=Plasma; Run_Order=57; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_057; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_057; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_057; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_057; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_057.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_057.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_057.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_057.mzML SUBJECT_SAMPLE_FACTORS - H-2K2A0-PH-00 Sample type:HHEAR_H-2K2A0-PH-00 Biospecimen=Plasma; Run_Order=58; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_058; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_058; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_058; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_058; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_058.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_058.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_058.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_058.mzML SUBJECT_SAMPLE_FACTORS - H-2K0W4-PH-00 Sample type:HHEAR_H-2K0W4-PH-00 Biospecimen=Plasma; Run_Order=59; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_059; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_059; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_059; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_059; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_059.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_059.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_059.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_059.mzML SUBJECT_SAMPLE_FACTORS - H-2K058-PH-00 Sample type:HHEAR_H-2K058-PH-00 Biospecimen=Plasma; Run_Order=60; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_060; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_060; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_060; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_060; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_060.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_060.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_060.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_060.mzML SUBJECT_SAMPLE_FACTORS - H-2K2C6-PH-00 Sample type:HHEAR_H-2K2C6-PH-00 Biospecimen=Plasma; Run_Order=61; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_061; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_061; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_061; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_061; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_061.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_061.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_061.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_061.mzML SUBJECT_SAMPLE_FACTORS - H-2JZR5-PH-00 Sample type:HHEAR_H-2JZR5-PH-00 Biospecimen=Plasma; Run_Order=62; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_062; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_062; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_062; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_062; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_062.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_062.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_062.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_062.mzML SUBJECT_SAMPLE_FACTORS - H-2K4H3-PH-00 Sample type:HHEAR_H-2K4H3-PH-00 Biospecimen=Plasma; Run_Order=63; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_063; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_063; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_063; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_063; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_063.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_063.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_063.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_063.mzML SUBJECT_SAMPLE_FACTORS - H-2K264-PH-00 Sample type:HHEAR_H-2K264-PH-00 Biospecimen=Plasma; Run_Order=64; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_064; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_064; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_064; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_064; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_064.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_064.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_064.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_064.mzML SUBJECT_SAMPLE_FACTORS - H-2K6C2-PH-00 Sample type:HHEAR_H-2K6C2-PH-00 Biospecimen=Plasma; Run_Order=65; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_065; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_065; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_065; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_065; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_065.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_065.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_065.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_065.mzML SUBJECT_SAMPLE_FACTORS - H-2JZQ7-PH-00 Sample type:HHEAR_H-2JZQ7-PH-00 Biospecimen=Plasma; Run_Order=66; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_066; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_066; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_066; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_066; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_066.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_066.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_066.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_066.mzML SUBJECT_SAMPLE_FACTORS - H-2JZ25-PH-00 Sample type:HHEAR_H-2JZ25-PH-00 Biospecimen=Plasma; Run_Order=67; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_067; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_067; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_067; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_067; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_067.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_067.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_067.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_067.mzML SUBJECT_SAMPLE_FACTORS - H-2K2U6-PH-00 Sample type:HHEAR_H-2K2U6-PH-00 Biospecimen=Plasma; Run_Order=68; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_068; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_068; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_068; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_068; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_068.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_068.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_068.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_068.mzML SUBJECT_SAMPLE_FACTORS - H-2JYR6-PH-00 Sample type:HHEAR_H-2JYR6-PH-00 Biospecimen=Plasma; Run_Order=69; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_069; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_069; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_069; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_069; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_069.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_069.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_069.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_069.mzML SUBJECT_SAMPLE_FACTORS - H-2JYK1-PH-00 Sample type:HHEAR_H-2JYK1-PH-00 Biospecimen=Plasma; Run_Order=70; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_070; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_070; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_070; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_070; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_070.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_070.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_070.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_070.mzML SUBJECT_SAMPLE_FACTORS - H-2K223-PH-00 Sample type:HHEAR_H-2K223-PH-00 Biospecimen=Plasma; Run_Order=71; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_071; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_071; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_071; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_071; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_071.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_071.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_071.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_071.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P1_20_01_4 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=72; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_072; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_072; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_072; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_072; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_072.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_072.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_072.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_072.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P2_50_01_4 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=73; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_073; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_073; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_073; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_073; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_073.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_073.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_073.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_073.mzML SUBJECT_SAMPLE_FACTORS - H-2K0V6-PH-00 Sample type:HHEAR_H-2K0V6-PH-00 Biospecimen=Plasma; Run_Order=74; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_074; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_074; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_074; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_074; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_074.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_074.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_074.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_074.mzML SUBJECT_SAMPLE_FACTORS - H-2JWX4-PH-00 Sample type:HHEAR_H-2JWX4-PH-00 Biospecimen=Plasma; Run_Order=75; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_075; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_075; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_075; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_075; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_075.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_075.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_075.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_075.mzML SUBJECT_SAMPLE_FACTORS - H-2K454-PH-00 Sample type:HHEAR_H-2K454-PH-00 Biospecimen=Plasma; Run_Order=76; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_076; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_076; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_076; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_076; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_076.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_076.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_076.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_076.mzML SUBJECT_SAMPLE_FACTORS - H-2K462-PH-00 Sample type:HHEAR_H-2K462-PH-00 Biospecimen=Plasma; Run_Order=77; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_077; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_077; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_077; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_077; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_077.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_077.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_077.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_077.mzML SUBJECT_SAMPLE_FACTORS - H-2JWW7-PH-00 Sample type:HHEAR_H-2JWW7-PH-00 Biospecimen=Plasma; Run_Order=78; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_078; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_078; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_078; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_078; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_078.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_078.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_078.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_078.mzML SUBJECT_SAMPLE_FACTORS - H-2K157-PH-00 Sample type:HHEAR_H-2K157-PH-00 Biospecimen=Plasma; Run_Order=79; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_079; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_079; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_079; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_079; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_079.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_079.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_079.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_079.mzML SUBJECT_SAMPLE_FACTORS - H-2K6A6-PH-00 Sample type:HHEAR_H-2K6A6-PH-00 Biospecimen=Plasma; Run_Order=80; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_080; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_080; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_080; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_080; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_080.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_080.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_080.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_080.mzML SUBJECT_SAMPLE_FACTORS - H-2K298-PH-00 Sample type:HHEAR_H-2K298-PH-00 Biospecimen=Plasma; Run_Order=81; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_081; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_081; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_081; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_081; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_081.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_081.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_081.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_081.mzML SUBJECT_SAMPLE_FACTORS - H-2K6R9-PH-00 Sample type:HHEAR_H-2K6R9-PH-00 Biospecimen=Plasma; Run_Order=82; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_082; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_082; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_082; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_082; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_082.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_082.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_082.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_082.mzML SUBJECT_SAMPLE_FACTORS - H-2JX01-PH-00 Sample type:HHEAR_H-2JX01-PH-00 Biospecimen=Plasma; Run_Order=83; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_083; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_083; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_083; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_083; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_083.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_083.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_083.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_083.mzML SUBJECT_SAMPLE_FACTORS - H-2K5G4-PH-00 Sample type:HHEAR_H-2K5G4-PH-00 Biospecimen=Plasma; Run_Order=84; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_084; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_084; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_084; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_084; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_084.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_084.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_084.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_084.mzML SUBJECT_SAMPLE_FACTORS - H-2K0L8-PH-00 Sample type:HHEAR_H-2K0L8-PH-00 Biospecimen=Plasma; Run_Order=85; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_085; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_085; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_085; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_085; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_085.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_085.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_085.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_085.mzML SUBJECT_SAMPLE_FACTORS - H-2JYY0-PH-00 Sample type:HHEAR_H-2JYY0-PH-00 Biospecimen=Plasma; Run_Order=86; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_086; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_086; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_086; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_086; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_086.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_086.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_086.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_086.mzML SUBJECT_SAMPLE_FACTORS - H-2K132-PH-00 Sample type:HHEAR_H-2K132-PH-00 Biospecimen=Plasma; Run_Order=87; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_087; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_087; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_087; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_087; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_087.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_087.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_087.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_087.mzML SUBJECT_SAMPLE_FACTORS - H-2K439-PH-00 Sample type:HHEAR_H-2K439-PH-00 Biospecimen=Plasma; Run_Order=88; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_088; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_088; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_088; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_088; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_088.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_088.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_088.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_088.mzML SUBJECT_SAMPLE_FACTORS - H-2K801-PH-00 Sample type:HHEAR_H-2K801-PH-00 Biospecimen=Plasma; Run_Order=89; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_089; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_089; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_089; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_089; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_089.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_089.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_089.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_089.mzML SUBJECT_SAMPLE_FACTORS - H-2K4D1-PH-00 Sample type:HHEAR_H-2K4D1-PH-00 Biospecimen=Plasma; Run_Order=90; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_090; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_090; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_090; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_090; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_090.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_090.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_090.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_090.mzML SUBJECT_SAMPLE_FACTORS - H-2K025-PH-00 Sample type:HHEAR_H-2K025-PH-00 Biospecimen=Plasma; Run_Order=91; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_091; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_091; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_091; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_091; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_091.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_091.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_091.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_091.mzML SUBJECT_SAMPLE_FACTORS - H-2K7Q0-PH-00 Sample type:HHEAR_H-2K7Q0-PH-00 Biospecimen=Plasma; Run_Order=92; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_092; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_092; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_092; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_092; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_092.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_092.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_092.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_092.mzML SUBJECT_SAMPLE_FACTORS - H-2JZ66-PH-00 Sample type:HHEAR_H-2JZ66-PH-00 Biospecimen=Plasma; Run_Order=93; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_093; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_093; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_093; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_093; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_093.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_093.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_093.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_093.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P1_20_01_5 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=94; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_094; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_094; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_094; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_094; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_094.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_094.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_094.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_094.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P2_50_01_5 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=95; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_095; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_095; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_095; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_095; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_095.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_095.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_095.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_095.mzML SUBJECT_SAMPLE_FACTORS - Water_blank_01_2 Sample type:Blank_H2O Biospecimen=Matrix; Run_Order=96; Batch=1; FileNameZHN=HRE_HFX_221011_HRE0047_HILICneg_096; FileNameRPP=HRE_HFX_221004_HRE0047_C18pos_096; FileNameZHP=HRE_HFX_221011_HRE0047_HILICpos_096; FileNameRPN=HRE_HFX_221004_HRE0047_C18neg_096; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICneg_096.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18pos_096.mzML; RAW_FILE_NAME=HRE_HFX_221011_HRE0047_HILICpos_096.mzML; RAW_FILE_NAME=HRE_HFX_221004_HRE0047_C18neg_096.mzML SUBJECT_SAMPLE_FACTORS - Water_blank_02_1 Sample type:Blank_H2O Biospecimen=Matrix; Run_Order=1; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_001; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_001; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_001; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_001; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_001.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_001.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_001.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_001.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P1_20_02_1 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=2; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_002; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_002; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_002; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_002; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_002.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_002.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_002.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_002.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P2_50_02_1 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=3; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_003; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_003; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_003; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_003; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_003.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_003.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_003.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_003.mzML SUBJECT_SAMPLE_FACTORS - H-6EF89-PH-00 Sample type:HHEAR_H-6EF89-PH-00 Biospecimen=Plasma; Run_Order=4; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_004; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_004; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_004; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_004; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_004.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_004.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_004.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_004.mzML SUBJECT_SAMPLE_FACTORS - H-BU6E9-PH-00 Sample type:HHEAR_H-BU6E9-PH-00 Biospecimen=Plasma; Run_Order=5; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_005; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_005; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_005; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_005; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_005.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_005.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_005.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_005.mzML SUBJECT_SAMPLE_FACTORS - H-9K5J0-PH-00 Sample type:HHEAR_H-9K5J0-PH-00 Biospecimen=Plasma; Run_Order=6; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_006; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_006; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_006; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_006; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_006.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_006.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_006.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_006.mzML SUBJECT_SAMPLE_FACTORS - H-6EJL1-PH-00 Sample type:HHEAR_H-6EJL1-PH-00 Biospecimen=Plasma; Run_Order=7; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_007; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_007; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_007; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_007; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_007.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_007.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_007.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_007.mzML SUBJECT_SAMPLE_FACTORS - H-6DS21-PH-00 Sample type:HHEAR_H-6DS21-PH-00 Biospecimen=Plasma; Run_Order=8; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_008; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_008; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_008; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_008; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_008.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_008.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_008.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_008.mzML SUBJECT_SAMPLE_FACTORS - H-6EMA2-PH-00 Sample type:HHEAR_H-6EMA2-PH-00 Biospecimen=Plasma; Run_Order=9; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_009; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_009; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_009; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_009; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_009.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_009.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_009.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_009.mzML SUBJECT_SAMPLE_FACTORS - H-6ED08-PH-00 Sample type:HHEAR_H-6ED08-PH-00 Biospecimen=Plasma; Run_Order=10; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_010; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_010; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_010; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_010; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_010.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_010.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_010.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_010.mzML SUBJECT_SAMPLE_FACTORS - H-6E4G4-PH-00 Sample type:HHEAR_H-6E4G4-PH-00 Biospecimen=Plasma; Run_Order=11; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_011; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_011; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_011; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_011; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_011.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_011.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_011.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_011.mzML SUBJECT_SAMPLE_FACTORS - H-6EBL9-PH-00 Sample type:HHEAR_H-6EBL9-PH-00 Biospecimen=Plasma; Run_Order=12; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_012; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_012; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_012; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_012; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_012.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_012.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_012.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_012.mzML SUBJECT_SAMPLE_FACTORS - H-BGRT9-PH-00 Sample type:HHEAR_H-BGRT9-PH-00 Biospecimen=Plasma; Run_Order=13; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_013; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_013; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_013; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_013; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_013.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_013.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_013.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_013.mzML SUBJECT_SAMPLE_FACTORS - H-6EHT5-PH-00 Sample type:HHEAR_H-6EHT5-PH-00 Biospecimen=Plasma; Run_Order=14; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_014; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_014; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_014; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_014; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_014.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_014.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_014.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_014.mzML SUBJECT_SAMPLE_FACTORS - H-6DNJ3-PH-00 Sample type:HHEAR_H-6DNJ3-PH-00 Biospecimen=Plasma; Run_Order=15; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_015; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_015; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_015; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_015; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_015.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_015.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_015.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_015.mzML SUBJECT_SAMPLE_FACTORS - H-JDQC6-PH-00 Sample type:HHEAR_H-JDQC6-PH-00 Biospecimen=Plasma; Run_Order=16; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_016; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_016; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_016; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_016; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_016.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_016.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_016.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_016.mzML SUBJECT_SAMPLE_FACTORS - H-6EAW6-PH-00 Sample type:HHEAR_H-6EAW6-PH-00 Biospecimen=Plasma; Run_Order=17; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_017; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_017; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_017; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_017; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_017.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_017.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_017.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_017.mzML SUBJECT_SAMPLE_FACTORS - H-6DK52-PH-00 Sample type:HHEAR_H-6DK52-PH-00 Biospecimen=Plasma; Run_Order=18; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_018; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_018; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_018; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_018; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_018.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_018.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_018.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_018.mzML SUBJECT_SAMPLE_FACTORS - H-8CZF1-PH-00 Sample type:HHEAR_H-8CZF1-PH-00 Biospecimen=Plasma; Run_Order=19; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_019; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_019; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_019; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_019; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_019.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_019.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_019.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_019.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P1_20_02_2 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=20; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_020; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_020; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_020; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_020; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_020.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_020.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_020.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_020.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P2_50_02_2 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=21; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_021; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_021; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_021; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_021; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_021.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_021.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_021.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_021.mzML SUBJECT_SAMPLE_FACTORS - H-6EK76-PH-00 Sample type:HHEAR_H-6EK76-PH-00 Biospecimen=Plasma; Run_Order=22; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_022; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_022; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_022; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_022; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_022.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_022.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_022.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_022.mzML SUBJECT_SAMPLE_FACTORS - H-YTAE7-PH-00 Sample type:HHEAR_H-YTAE7-PH-00 Biospecimen=Plasma; Run_Order=23; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_023; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_023; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_023; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_023; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_023.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_023.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_023.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_023.mzML SUBJECT_SAMPLE_FACTORS - H-6E0X0-PH-00 Sample type:HHEAR_H-6E0X0-PH-00 Biospecimen=Plasma; Run_Order=24; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_024; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_024; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_024; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_024; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_024.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_024.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_024.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_024.mzML SUBJECT_SAMPLE_FACTORS - H-UE817-PH-00 Sample type:HHEAR_H-UE817-PH-00 Biospecimen=Plasma; Run_Order=25; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_025; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_025; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_025; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_025; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_025.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_025.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_025.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_025.mzML SUBJECT_SAMPLE_FACTORS - H-6DR89-PH-00 Sample type:HHEAR_H-6DR89-PH-00 Biospecimen=Plasma; Run_Order=26; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_026; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_026; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_026; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_026; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_026.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_026.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_026.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_026.mzML SUBJECT_SAMPLE_FACTORS - H-S0393-PH-00 Sample type:HHEAR_H-S0393-PH-00 Biospecimen=Plasma; Run_Order=27; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_027; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_027; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_027; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_027; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_027.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_027.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_027.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_027.mzML SUBJECT_SAMPLE_FACTORS - H-6DW19-PH-00 Sample type:HHEAR_H-6DW19-PH-00 Biospecimen=Plasma; Run_Order=28; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_028; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_028; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_028; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_028; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_028.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_028.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_028.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_028.mzML SUBJECT_SAMPLE_FACTORS - H-6DQH5-PH-00 Sample type:HHEAR_H-6DQH5-PH-00 Biospecimen=Plasma; Run_Order=29; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_029; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_029; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_029; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_029; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_029.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_029.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_029.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_029.mzML SUBJECT_SAMPLE_FACTORS - H-D2R10-PH-00 Sample type:HHEAR_H-D2R10-PH-00 Biospecimen=Plasma; Run_Order=30; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_030; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_030; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_030; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_030; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_030.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_030.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_030.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_030.mzML SUBJECT_SAMPLE_FACTORS - H-WPVY3-PH-00 Sample type:HHEAR_H-WPVY3-PH-00 Biospecimen=Plasma; Run_Order=31; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_031; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_031; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_031; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_031; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_031.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_031.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_031.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_031.mzML SUBJECT_SAMPLE_FACTORS - H-6DVA5-PH-00 Sample type:HHEAR_H-6DVA5-PH-00 Biospecimen=Plasma; Run_Order=32; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_032; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_032; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_032; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_032; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_032.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_032.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_032.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_032.mzML SUBJECT_SAMPLE_FACTORS - H-6ELQ8-PH-00 Sample type:HHEAR_H-6ELQ8-PH-00 Biospecimen=Plasma; Run_Order=33; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_033; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_033; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_033; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_033; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_033.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_033.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_033.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_033.mzML SUBJECT_SAMPLE_FACTORS - H-P5AX2-PH-00 Sample type:HHEAR_H-P5AX2-PH-00 Biospecimen=Plasma; Run_Order=34; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_034; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_034; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_034; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_034; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_034.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_034.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_034.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_034.mzML SUBJECT_SAMPLE_FACTORS - H-2K843-PH-00 Sample type:HHEAR_H-2K843-PH-00 Biospecimen=Plasma; Run_Order=35; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_035; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_035; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_035; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_035; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_035.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_035.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_035.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_035.mzML SUBJECT_SAMPLE_FACTORS - H-6EK01-PH-00 Sample type:HHEAR_H-6EK01-PH-00 Biospecimen=Plasma; Run_Order=36; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_036; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_036; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_036; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_036; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_036.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_036.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_036.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_036.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P1_20_02_3 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=37; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_037; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_037; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_037; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_037; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_037.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_037.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_037.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_037.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P2_50_02_3 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=38; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_038; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_038; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_038; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_038; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_038.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_038.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_038.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_038.mzML SUBJECT_SAMPLE_FACTORS - H-YEZ27-PH-00 Sample type:HHEAR_H-YEZ27-PH-00 Biospecimen=Plasma; Run_Order=39; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_039; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_039; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_039; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_039; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_039.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_039.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_039.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_039.mzML SUBJECT_SAMPLE_FACTORS - H-4M3Q8-PH-00 Sample type:HHEAR_H-4M3Q8-PH-00 Biospecimen=Plasma; Run_Order=40; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_040; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_040; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_040; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_040; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_040.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_040.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_040.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_040.mzML SUBJECT_SAMPLE_FACTORS - H-MUPA1-PH-00 Sample type:HHEAR_H-MUPA1-PH-00 Biospecimen=Plasma; Run_Order=41; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_041; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_041; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_041; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_041; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_041.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_041.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_041.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_041.mzML SUBJECT_SAMPLE_FACTORS - H-6DUV0-PH-00 Sample type:HHEAR_H-6DUV0-PH-00 Biospecimen=Plasma; Run_Order=42; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_042; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_042; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_042; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_042; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_042.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_042.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_042.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_042.mzML SUBJECT_SAMPLE_FACTORS - H-6DXR6-PH-00 Sample type:HHEAR_H-6DXR6-PH-00 Biospecimen=Plasma; Run_Order=43; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_043; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_043; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_043; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_043; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_043.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_043.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_043.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_043.mzML SUBJECT_SAMPLE_FACTORS - H-SSV91-PH-00 Sample type:HHEAR_H-SSV91-PH-00 Biospecimen=Plasma; Run_Order=44; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_044; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_044; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_044; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_044; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_044.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_044.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_044.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_044.mzML SUBJECT_SAMPLE_FACTORS - H-CJMW0-PH-00 Sample type:HHEAR_H-CJMW0-PH-00 Biospecimen=Plasma; Run_Order=45; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_045; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_045; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_045; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_045; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_045.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_045.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_045.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_045.mzML SUBJECT_SAMPLE_FACTORS - H-K00C2-PH-00 Sample type:HHEAR_H-K00C2-PH-00 Biospecimen=Plasma; Run_Order=46; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_046; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_046; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_046; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_046; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_046.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_046.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_046.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_046.mzML SUBJECT_SAMPLE_FACTORS - H-CG704-PH-00 Sample type:HHEAR_H-CG704-PH-00 Biospecimen=Plasma; Run_Order=47; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_047; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_047; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_047; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_047; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_047.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_047.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_047.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_047.mzML SUBJECT_SAMPLE_FACTORS - H-6ECY9-PH-00 Sample type:HHEAR_H-6ECY9-PH-00 Biospecimen=Plasma; Run_Order=48; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_048; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_048; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_048; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_048; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_048.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_048.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_048.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_048.mzML SUBJECT_SAMPLE_FACTORS - H-6E4J7-PH-00 Sample type:HHEAR_H-6E4J7-PH-00 Biospecimen=Plasma; Run_Order=49; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_049; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_049; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_049; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_049; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_049.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_049.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_049.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_049.mzML SUBJECT_SAMPLE_FACTORS - H-6DP16-PH-00 Sample type:HHEAR_H-6DP16-PH-00 Biospecimen=Plasma; Run_Order=50; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_050; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_050; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_050; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_050; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_050.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_050.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_050.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_050.mzML SUBJECT_SAMPLE_FACTORS - H-6EJ85-PH-00 Sample type:HHEAR_H-6EJ85-PH-00 Biospecimen=Plasma; Run_Order=51; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_051; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_051; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_051; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_051; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_051.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_051.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_051.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_051.mzML SUBJECT_SAMPLE_FACTORS - H-6DZY8-PH-00 Sample type:HHEAR_H-6DZY8-PH-00 Biospecimen=Plasma; Run_Order=52; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_052; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_052; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_052; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_052; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_052.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_052.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_052.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_052.mzML SUBJECT_SAMPLE_FACTORS - H-6DSF7-PH-00 Sample type:HHEAR_H-6DSF7-PH-00 Biospecimen=Plasma; Run_Order=53; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_053; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_053; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_053; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_053; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_053.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_053.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_053.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_053.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P1_20_02_4 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=54; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_054; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_054; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_054; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_054; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_054.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_054.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_054.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_054.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P2_50_02_4 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=55; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_055; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_055; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_055; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_055; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_055.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_055.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_055.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_055.mzML SUBJECT_SAMPLE_FACTORS - H-6ELB1-PH-00 Sample type:HHEAR_H-6ELB1-PH-00 Biospecimen=Plasma; Run_Order=56; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_056; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_056; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_056; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_056; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_056.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_056.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_056.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_056.mzML SUBJECT_SAMPLE_FACTORS - H-2K884-PH-00 Sample type:HHEAR_H-2K884-PH-00 Biospecimen=Plasma; Run_Order=57; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_057; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_057; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_057; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_057; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_057.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_057.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_057.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_057.mzML SUBJECT_SAMPLE_FACTORS - H-6E2G6-PH-00 Sample type:HHEAR_H-6E2G6-PH-00 Biospecimen=Plasma; Run_Order=58; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_058; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_058; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_058; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_058; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_058.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_058.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_058.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_058.mzML SUBJECT_SAMPLE_FACTORS - H-6E537-PH-00 Sample type:HHEAR_H-6E537-PH-00 Biospecimen=Plasma; Run_Order=59; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_059; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_059; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_059; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_059; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_059.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_059.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_059.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_059.mzML SUBJECT_SAMPLE_FACTORS - H-VTVD1-PH-00 Sample type:HHEAR_H-VTVD1-PH-00 Biospecimen=Plasma; Run_Order=60; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_060; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_060; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_060; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_060; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_060.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_060.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_060.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_060.mzML SUBJECT_SAMPLE_FACTORS - H-6E958-PH-00 Sample type:HHEAR_H-6E958-PH-00 Biospecimen=Plasma; Run_Order=61; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_061; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_061; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_061; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_061; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_061.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_061.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_061.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_061.mzML SUBJECT_SAMPLE_FACTORS - H-K3CQ6-PH-00 Sample type:HHEAR_H-K3CQ6-PH-00 Biospecimen=Plasma; Run_Order=62; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_062; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_062; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_062; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_062; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_062.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_062.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_062.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_062.mzML SUBJECT_SAMPLE_FACTORS - H-XM2W0-PH-00 Sample type:HHEAR_H-XM2W0-PH-00 Biospecimen=Plasma; Run_Order=63; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_063; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_063; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_063; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_063; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_063.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_063.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_063.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_063.mzML SUBJECT_SAMPLE_FACTORS - H-6DLS5-PH-00 Sample type:HHEAR_H-6DLS5-PH-00 Biospecimen=Plasma; Run_Order=64; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_064; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_064; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_064; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_064; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_064.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_064.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_064.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_064.mzML SUBJECT_SAMPLE_FACTORS - H-2K850-PH-00 Sample type:HHEAR_H-2K850-PH-00 Biospecimen=Plasma; Run_Order=65; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_065; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_065; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_065; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_065; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_065.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_065.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_065.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_065.mzML SUBJECT_SAMPLE_FACTORS - H-6EG88-PH-00 Sample type:HHEAR_H-6EG88-PH-00 Biospecimen=Plasma; Run_Order=66; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_066; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_066; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_066; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_066; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_066.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_066.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_066.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_066.mzML SUBJECT_SAMPLE_FACTORS - H-6DWU0-PH-00 Sample type:HHEAR_H-6DWU0-PH-00 Biospecimen=Plasma; Run_Order=67; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_067; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_067; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_067; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_067; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_067.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_067.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_067.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_067.mzML SUBJECT_SAMPLE_FACTORS - H-6DX67-PH-00 Sample type:HHEAR_H-6DX67-PH-00 Biospecimen=Plasma; Run_Order=68; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_068; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_068; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_068; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_068; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_068.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_068.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_068.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_068.mzML SUBJECT_SAMPLE_FACTORS - H-6DU11-PH-00 Sample type:HHEAR_H-6DU11-PH-00 Biospecimen=Plasma; Run_Order=69; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_069; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_069; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_069; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_069; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_069.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_069.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_069.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_069.mzML SUBJECT_SAMPLE_FACTORS - H-6DT79-PH-00 Sample type:HHEAR_H-6DT79-PH-00 Biospecimen=Plasma; Run_Order=70; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_070; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_070; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_070; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_070; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_070.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_070.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_070.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_070.mzML SUBJECT_SAMPLE_FACTORS - H-FLQM1-PH-00 Sample type:HHEAR_H-FLQM1-PH-00 Biospecimen=Plasma; Run_Order=71; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_071; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_071; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_071; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_071; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_071.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_071.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_071.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_071.mzML SUBJECT_SAMPLE_FACTORS - H-6DK03-PH-00 Sample type:HHEAR_H-6DK03-PH-00 Biospecimen=Plasma; Run_Order=72; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_072; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_072; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_072; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_072; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_072.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_072.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_072.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_072.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P1_20_02_5 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=73; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_073; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_073; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_073; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_073; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_073.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_073.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_073.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_073.mzML SUBJECT_SAMPLE_FACTORS - HHEAR_P2_50_02_5 Sample type:HHEAR_ref Biospecimen=Plasma; Run_Order=74; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_074; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_074; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_074; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_074; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_074.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_074.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_074.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_074.mzML SUBJECT_SAMPLE_FACTORS - NIST_P_1950_02_1 Sample type:NIST Biospecimen=Plasma; Run_Order=75; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_075; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_075; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_075; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_075; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_075.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_075.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_075.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_075.mzML SUBJECT_SAMPLE_FACTORS - Water_blank_02_2 Sample type:Blank_H2O Biospecimen=Matrix; Run_Order=76; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_076; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_076; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_076; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_076; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_076.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_076.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_076.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_076.mzML SUBJECT_SAMPLE_FACTORS - Water_blank_02_3 Sample type:Blank_H2O Biospecimen=Matrix; Run_Order=77; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_077; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_077; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_077; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_077; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_077.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_077.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_077.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_077.mzML SUBJECT_SAMPLE_FACTORS - Water_blank_02_4 Sample type:Blank_H2O Biospecimen=Matrix; Run_Order=78; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_078; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_078; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_078; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_078; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_078.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_078.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_078.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_078.mzML SUBJECT_SAMPLE_FACTORS - Water_blank_02_5 Sample type:Blank_H2O Biospecimen=Matrix; Run_Order=79; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_079; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_079; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_079; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_079; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_079.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_079.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_079.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_079.mzML SUBJECT_SAMPLE_FACTORS - Water_blank_02_6 Sample type:Blank_H2O Biospecimen=Matrix; Run_Order=80; Batch=2; FileNameZHN=HRE_HFX_221013_HRE0047_HILICneg_080; FileNameRPP=HRE_HFX_221006_HRE0047_C18pos_080; FileNameZHP=HRE_HFX_221013_HRE0047_HILICpos_080; FileNameRPN=HRE_HFX_221006_HRE0047_C18neg_080; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICneg_080.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18pos_080.mzML; RAW_FILE_NAME=HRE_HFX_221013_HRE0047_HILICpos_080.mzML; RAW_FILE_NAME=HRE_HFX_221006_HRE0047_C18neg_080.mzML #COLLECTION CO:COLLECTION_SUMMARY plasma heparin, fasting CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY repeated measures following bariatric surgery. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY In allocated randomized order, plasma samples were thawed on ice. Samples were SP:SAMPLEPREP_SUMMARY analyzed in two analytical batches. Each batch contained additional QA/QC SP:SAMPLEPREP_SUMMARY samples including HHEAR untargeted plasma pool 1 and 2, NIST standard reference SP:SAMPLEPREP_SUMMARY material, and procedural blanks. All samples were prepared for analysis by SP:SAMPLEPREP_SUMMARY adding 2.50μL of an internal standard solution to 30μL of plasma (or QA/QC SP:SAMPLEPREP_SUMMARY sample), followed by 80μL of ice-cold acetonitrile to precipitate proteins. SP:SAMPLEPREP_SUMMARY Treated samples were vortexed, equilibrated on ice for 30 mins, and then SP:SAMPLEPREP_SUMMARY centrifuged for 45 min at 4680 rpm at 4 °C. The resulting supernatant was SP:SAMPLEPREP_SUMMARY diluted 2:1 with LC-MS grade water and placed in a refrigerated autosampler for SP:SAMPLEPREP_SUMMARY analysis with LC-HRMS #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY RPP CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Higgins Analytical TARGA C18 (50 x 2.1mm,5um) CH:SOLVENT_A 100% acetonitrile; 0.1% formic acid CH:SOLVENT_B 100% water; 0.1% formic acid CH:FLOW_GRADIENT 85% of B until 1.50min; then from 85% to 5% of B until 5.00 min; ending with 5% CH:FLOW_GRADIENT of B at 7.50 min. CH:FLOW_RATE 0.400 to 0.500 mL/min CH:COLUMN_TEMPERATURE 30 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF-X Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Mass spectral data was collected using negative and positive mode over the scan MS:MS_COMMENTS range 85-1275 at 120,000 (FWHM) resolution. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS abundance MS_METABOLITE_DATA_START Samples Water_blank_01_1 NIST_P_1950_01_1 HHEAR_P1_20_01_1 HHEAR_P2_50_01_1 H-2K694-PH-00 H-2JXX3-PH-00 H-2JX43-PH-00 H-2K3H4-PH-00 H-2K7M9-PH-00 H-2K2B8-PH-00 H-2K363-PH-00 H-2JZN3-PH-00 H-2K5Y4-PH-00 H-6EPB7-PH-00 H-2K2G7-PH-00 H-2K5W9-PH-00 H-2K082-PH-00 H-2K3G6-PH-00 H-6EDR4-PH-00 H-2K7V9-PH-00 H-2K6Q1-PH-00 H-2K6L2-PH-00 H-2K3L5-PH-00 H-2K1B9-PH-00 H-2K3Q4-PH-00 HHEAR_P1_20_01_2 HHEAR_P2_50_01_2 H-2K678-PH-00 H-2K5B5-PH-00 H-2JZM6-PH-00 H-2K1V5-PH-00 H-2K0G9-PH-00 H-2K215-PH-00 H-2K5V1-PH-00 H-2K7T3-PH-00 H-2K4T6-PH-00 H-2K7B3-PH-00 H-2K1L7-PH-00 H-2K595-PH-00 H-2K777-PH-00 H-2K7P2-PH-00 H-2K3W1-PH-00 H-2K4U4-PH-00 H-2K3U5-PH-00 H-6EE15-PH-00 H-2K7J5-PH-00 H-2K124-PH-00 H-2K0M6-PH-00 HHEAR_P1_20_01_3 HHEAR_P2_50_01_3 H-2K7W7-PH-00 H-2K5X6-PH-00 H-2K140-PH-00 H-2K4P5-PH-00 H-2K066-PH-00 H-2K561-PH-00 H-2K538-PH-00 H-2K2A0-PH-00 H-2K0W4-PH-00 H-2K058-PH-00 H-2K2C6-PH-00 H-2JZR5-PH-00 H-2K4H3-PH-00 H-2K264-PH-00 H-2K6C2-PH-00 H-2JZQ7-PH-00 H-2JZ25-PH-00 H-2K2U6-PH-00 H-2JYR6-PH-00 H-2JYK1-PH-00 H-2K223-PH-00 HHEAR_P1_20_01_4 HHEAR_P2_50_01_4 H-2K0V6-PH-00 H-2JWX4-PH-00 H-2K454-PH-00 H-2K462-PH-00 H-2JWW7-PH-00 H-2K157-PH-00 H-2K6A6-PH-00 H-2K298-PH-00 H-2K6R9-PH-00 H-2JX01-PH-00 H-2K5G4-PH-00 H-2K0L8-PH-00 H-2JYY0-PH-00 H-2K132-PH-00 H-2K439-PH-00 H-2K801-PH-00 H-2K4D1-PH-00 H-2K025-PH-00 H-2K7Q0-PH-00 H-2JZ66-PH-00 HHEAR_P1_20_01_5 HHEAR_P2_50_01_5 Water_blank_01_2 Water_blank_02_1 HHEAR_P1_20_02_1 HHEAR_P2_50_02_1 H-6EF89-PH-00 H-BU6E9-PH-00 H-9K5J0-PH-00 H-6EJL1-PH-00 H-6DS21-PH-00 H-6EMA2-PH-00 H-6ED08-PH-00 H-6E4G4-PH-00 H-6EBL9-PH-00 H-BGRT9-PH-00 H-6EHT5-PH-00 H-6DNJ3-PH-00 H-JDQC6-PH-00 H-6EAW6-PH-00 H-6DK52-PH-00 H-8CZF1-PH-00 HHEAR_P1_20_02_2 HHEAR_P2_50_02_2 H-6EK76-PH-00 H-YTAE7-PH-00 H-6E0X0-PH-00 H-UE817-PH-00 H-6DR89-PH-00 H-S0393-PH-00 H-6DW19-PH-00 H-6DQH5-PH-00 H-D2R10-PH-00 H-WPVY3-PH-00 H-6DVA5-PH-00 H-6ELQ8-PH-00 H-P5AX2-PH-00 H-2K843-PH-00 H-6EK01-PH-00 HHEAR_P1_20_02_3 HHEAR_P2_50_02_3 H-YEZ27-PH-00 H-4M3Q8-PH-00 H-MUPA1-PH-00 H-6DUV0-PH-00 H-6DXR6-PH-00 H-SSV91-PH-00 H-CJMW0-PH-00 H-K00C2-PH-00 H-CG704-PH-00 H-6ECY9-PH-00 H-6E4J7-PH-00 H-6DP16-PH-00 H-6EJ85-PH-00 H-6DZY8-PH-00 H-6DSF7-PH-00 HHEAR_P1_20_02_4 HHEAR_P2_50_02_4 H-6ELB1-PH-00 H-2K884-PH-00 H-6E2G6-PH-00 H-6E537-PH-00 H-VTVD1-PH-00 H-6E958-PH-00 H-K3CQ6-PH-00 H-XM2W0-PH-00 H-6DLS5-PH-00 H-2K850-PH-00 H-6EG88-PH-00 H-6DWU0-PH-00 H-6DX67-PH-00 H-6DU11-PH-00 H-6DT79-PH-00 H-FLQM1-PH-00 H-6DK03-PH-00 HHEAR_P1_20_02_5 HHEAR_P2_50_02_5 NIST_P_1950_02_1 Water_blank_02_2 Water_blank_02_3 Water_blank_02_4 Water_blank_02_5 Water_blank_02_6 Factors Sample type:Blank_H2O Sample type:NIST Sample type:HHEAR_ref Sample type:HHEAR_ref Sample type:HHEAR_H-2K694-PH-00 Sample type:HHEAR_H-2JXX3-PH-00 Sample type:HHEAR_H-2JX43-PH-00 Sample type:HHEAR_H-2K3H4-PH-00 Sample type:HHEAR_H-2K7M9-PH-00 Sample type:HHEAR_H-2K2B8-PH-00 Sample type:HHEAR_H-2K363-PH-00 Sample type:HHEAR_H-2JZN3-PH-00 Sample type:HHEAR_H-2K5Y4-PH-00 Sample type:HHEAR_H-6EPB7-PH-00 Sample type:HHEAR_H-2K2G7-PH-00 Sample type:HHEAR_H-2K5W9-PH-00 Sample type:HHEAR_H-2K082-PH-00 Sample type:HHEAR_H-2K3G6-PH-00 Sample type:HHEAR_H-6EDR4-PH-00 Sample type:HHEAR_H-2K7V9-PH-00 Sample type:HHEAR_H-2K6Q1-PH-00 Sample type:HHEAR_H-2K6L2-PH-00 Sample type:HHEAR_H-2K3L5-PH-00 Sample type:HHEAR_H-2K1B9-PH-00 Sample type:HHEAR_H-2K3Q4-PH-00 Sample type:HHEAR_ref Sample type:HHEAR_ref Sample type:HHEAR_H-2K678-PH-00 Sample type:HHEAR_H-2K5B5-PH-00 Sample type:HHEAR_H-2JZM6-PH-00 Sample type:HHEAR_H-2K1V5-PH-00 Sample type:HHEAR_H-2K0G9-PH-00 Sample type:HHEAR_H-2K215-PH-00 Sample type:HHEAR_H-2K5V1-PH-00 Sample type:HHEAR_H-2K7T3-PH-00 Sample type:HHEAR_H-2K4T6-PH-00 Sample type:HHEAR_H-2K7B3-PH-00 Sample type:HHEAR_H-2K1L7-PH-00 Sample type:HHEAR_H-2K595-PH-00 Sample type:HHEAR_H-2K777-PH-00 Sample type:HHEAR_H-2K7P2-PH-00 Sample type:HHEAR_H-2K3W1-PH-00 Sample type:HHEAR_H-2K4U4-PH-00 Sample type:HHEAR_H-2K3U5-PH-00 Sample type:HHEAR_H-6EE15-PH-00 Sample type:HHEAR_H-2K7J5-PH-00 Sample type:HHEAR_H-2K124-PH-00 Sample type:HHEAR_H-2K0M6-PH-00 Sample type:HHEAR_ref Sample type:HHEAR_ref Sample type:HHEAR_H-2K7W7-PH-00 Sample type:HHEAR_H-2K5X6-PH-00 Sample type:HHEAR_H-2K140-PH-00 Sample type:HHEAR_H-2K4P5-PH-00 Sample type:HHEAR_H-2K066-PH-00 Sample type:HHEAR_H-2K561-PH-00 Sample type:HHEAR_H-2K538-PH-00 Sample type:HHEAR_H-2K2A0-PH-00 Sample type:HHEAR_H-2K0W4-PH-00 Sample type:HHEAR_H-2K058-PH-00 Sample type:HHEAR_H-2K2C6-PH-00 Sample type:HHEAR_H-2JZR5-PH-00 Sample type:HHEAR_H-2K4H3-PH-00 Sample type:HHEAR_H-2K264-PH-00 Sample type:HHEAR_H-2K6C2-PH-00 Sample type:HHEAR_H-2JZQ7-PH-00 Sample type:HHEAR_H-2JZ25-PH-00 Sample type:HHEAR_H-2K2U6-PH-00 Sample type:HHEAR_H-2JYR6-PH-00 Sample type:HHEAR_H-2JYK1-PH-00 Sample type:HHEAR_H-2K223-PH-00 Sample type:HHEAR_ref Sample type:HHEAR_ref Sample type:HHEAR_H-2K0V6-PH-00 Sample type:HHEAR_H-2JWX4-PH-00 Sample type:HHEAR_H-2K454-PH-00 Sample type:HHEAR_H-2K462-PH-00 Sample type:HHEAR_H-2JWW7-PH-00 Sample type:HHEAR_H-2K157-PH-00 Sample type:HHEAR_H-2K6A6-PH-00 Sample type:HHEAR_H-2K298-PH-00 Sample type:HHEAR_H-2K6R9-PH-00 Sample type:HHEAR_H-2JX01-PH-00 Sample type:HHEAR_H-2K5G4-PH-00 Sample type:HHEAR_H-2K0L8-PH-00 Sample type:HHEAR_H-2JYY0-PH-00 Sample type:HHEAR_H-2K132-PH-00 Sample type:HHEAR_H-2K439-PH-00 Sample type:HHEAR_H-2K801-PH-00 Sample type:HHEAR_H-2K4D1-PH-00 Sample type:HHEAR_H-2K025-PH-00 Sample type:HHEAR_H-2K7Q0-PH-00 Sample type:HHEAR_H-2JZ66-PH-00 Sample type:HHEAR_ref Sample type:HHEAR_ref Sample type:Blank_H2O Sample type:Blank_H2O Sample type:HHEAR_ref Sample type:HHEAR_ref Sample type:HHEAR_H-6EF89-PH-00 Sample type:HHEAR_H-BU6E9-PH-00 Sample type:HHEAR_H-9K5J0-PH-00 Sample type:HHEAR_H-6EJL1-PH-00 Sample type:HHEAR_H-6DS21-PH-00 Sample type:HHEAR_H-6EMA2-PH-00 Sample type:HHEAR_H-6ED08-PH-00 Sample type:HHEAR_H-6E4G4-PH-00 Sample type:HHEAR_H-6EBL9-PH-00 Sample type:HHEAR_H-BGRT9-PH-00 Sample type:HHEAR_H-6EHT5-PH-00 Sample type:HHEAR_H-6DNJ3-PH-00 Sample type:HHEAR_H-JDQC6-PH-00 Sample type:HHEAR_H-6EAW6-PH-00 Sample type:HHEAR_H-6DK52-PH-00 Sample type:HHEAR_H-8CZF1-PH-00 Sample type:HHEAR_ref Sample type:HHEAR_ref Sample type:HHEAR_H-6EK76-PH-00 Sample type:HHEAR_H-YTAE7-PH-00 Sample type:HHEAR_H-6E0X0-PH-00 Sample type:HHEAR_H-UE817-PH-00 Sample type:HHEAR_H-6DR89-PH-00 Sample type:HHEAR_H-S0393-PH-00 Sample type:HHEAR_H-6DW19-PH-00 Sample type:HHEAR_H-6DQH5-PH-00 Sample type:HHEAR_H-D2R10-PH-00 Sample type:HHEAR_H-WPVY3-PH-00 Sample type:HHEAR_H-6DVA5-PH-00 Sample type:HHEAR_H-6ELQ8-PH-00 Sample type:HHEAR_H-P5AX2-PH-00 Sample type:HHEAR_H-2K843-PH-00 Sample type:HHEAR_H-6EK01-PH-00 Sample type:HHEAR_ref Sample type:HHEAR_ref Sample type:HHEAR_H-YEZ27-PH-00 Sample type:HHEAR_H-4M3Q8-PH-00 Sample type:HHEAR_H-MUPA1-PH-00 Sample type:HHEAR_H-6DUV0-PH-00 Sample type:HHEAR_H-6DXR6-PH-00 Sample type:HHEAR_H-SSV91-PH-00 Sample type:HHEAR_H-CJMW0-PH-00 Sample type:HHEAR_H-K00C2-PH-00 Sample type:HHEAR_H-CG704-PH-00 Sample type:HHEAR_H-6ECY9-PH-00 Sample type:HHEAR_H-6E4J7-PH-00 Sample type:HHEAR_H-6DP16-PH-00 Sample type:HHEAR_H-6EJ85-PH-00 Sample type:HHEAR_H-6DZY8-PH-00 Sample type:HHEAR_H-6DSF7-PH-00 Sample type:HHEAR_ref Sample type:HHEAR_ref Sample type:HHEAR_H-6ELB1-PH-00 Sample type:HHEAR_H-2K884-PH-00 Sample type:HHEAR_H-6E2G6-PH-00 Sample type:HHEAR_H-6E537-PH-00 Sample type:HHEAR_H-VTVD1-PH-00 Sample type:HHEAR_H-6E958-PH-00 Sample type:HHEAR_H-K3CQ6-PH-00 Sample type:HHEAR_H-XM2W0-PH-00 Sample type:HHEAR_H-6DLS5-PH-00 Sample type:HHEAR_H-2K850-PH-00 Sample type:HHEAR_H-6EG88-PH-00 Sample type:HHEAR_H-6DWU0-PH-00 Sample type:HHEAR_H-6DX67-PH-00 Sample type:HHEAR_H-6DU11-PH-00 Sample type:HHEAR_H-6DT79-PH-00 Sample type:HHEAR_H-FLQM1-PH-00 Sample type:HHEAR_H-6DK03-PH-00 Sample type:HHEAR_ref Sample type:HHEAR_ref Sample type:NIST Sample type:Blank_H2O Sample type:Blank_H2O Sample type:Blank_H2O Sample type:Blank_H2O Sample type:Blank_H2O (+)-Bornane-2_5-dione 310018.6808 5210674.298 8504900.171 7317125.379 2431667.32 14407576.89 16509268.82 4510752.367 6775873.039 9989955.546 4526655.202 8686358.652 7247985.556 5366859.758 11967722.43 21300186.91 10077880.13 3054826.199 10443465.59 17551738.22 8872562.882 7175444.911 3871087.457 9168048.633 4096507.905 7934354.251 8105441.068 14725247.51 12091614.74 5833571.946 15372560.77 19015245.1 18447122.46 7868795.401 8743716.476 16410043.44 11027623.86 9224459.304 28943173.6 9423939.326 12258039.97 33659814.77 15072075.39 15390075.45 9704908.421 5611086.719 15122994.18 7470639.745 8973731.283 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8465275.675 8180735.315 7853742.802 5358703.079 4231220.025 10200995.83 11710322 12482324.77 4472522.62 2345301.616 9116346.779 9451400.886 3885411.521 4756812.489 4032179.412 9766816.575 16007121.41 8906024.273 7519467.866 5408314.431 11728578.66 28894105.32 5262487.955 7001240.019 7048105.576 12519172.73 3357885.587 7426675.839 18098589.76 24945206.6 10559466.61 15745084.5 14881001.46 16128209.77 12864632.78 9938306.722 8762219.543 8306176.055 5411524.997 265201.3564 247239.6989 290989.6948 246320.931 224084.3214 (2E)-2-Methyl-3-phenyl-2-propen-1-yl hydrogen sulfate 74091.68762 1100816.963 1565937.293 1435038.815 91814.01625 124858.1868 254057.8038 1237560.005 387378.3665 1227427.259 135333.9035 1116113.536 140302.906 760155.6968 58260.88438 376141.2264 88500.70539 2272601.523 880298.62 858337.3849 358337.9685 1072357.829 59095.50732 458591.0542 74419.8552 1565687.171 1765477.33 75769.16729 222645.3808 1373320.838 4506743.665 86869.87065 438616.2222 1397835.947 419511.7517 1940432.296 14988354.67 73237.15501 265030.3138 12584767.02 137778.7174 943995.9818 360326.7685 1036120.762 50979.81242 947491.5848 3422009.187 575802.6992 1704249.096 2039683.904 531646.2954 336653.6788 1689660.505 358572.5058 166846.9993 299287.6553 2587814.16 146089.2897 117437.2961 11980907.12 6609872.704 117098.0521 587108.3653 72598.52558 156591.0304 563343.203 886744.0436 4627176.335 234600.8492 79033.17756 217464.6283 1712908.797 2087485.065 323221.7142 1403218.465 377391.9984 81641.3955 2449712.204 751903.4228 680243.4187 150048.9615 651954.5583 77618.29471 230357.0828 7381196.619 340562.0239 1133300.382 106899.0023 689233.8347 510309.4661 513778.4645 160582.8455 646645.2898 1488966.606 1859576.321 50371.79905 61183.25344 1382894.649 1781069.517 522603.2339 470609.5248 185598.4352 1503389.366 138572.5876 1865621.967 2604773.393 1743418.087 143567.7758 116212.7758 552190.3964 325192.3254 442834.5354 73996.90999 73186.35461 574449.9133 1879420.964 1761510.375 1674103.199 3639448.406 90463.46363 227473.5452 195030.125 191619.7894 1221652.129 205191.7641 191182.5825 100086.1325 1494330.165 488576.586 1198186.34 135221.3399 763044.4201 1652584.039 1778216.418 140412.309 172448.1787 555534.7478 402807.0989 924099.6036 3583965.19 187769.0385 1266137.53 178613.2938 67453.22444 3887495.037 598831.3794 275734.9088 58703.96445 962358.4865 1760535.858 1468886.117 217435.0063 407954.0001 851958.7303 278571.2079 105085.972 419771.1073 1849528.066 1212995.836 57865.25499 3418724.077 242544.4456 536888.4589 90209.50932 278729.3586 2118436.562 3104108.593 678371.6352 1766247.026 2005740.966 949929.7927 43733.37183 39617.02507 51825.00196 52970.50203 43044.79579 (9S_10S)-9_10-Dihydroxyoctadecanoate 83999.64459 1396315.296 16821045.2 14934080.99 767687.3101 742815.1522 644053.6615 1429822.307 670418.6366 595602.8394 501683.1388 812261.486 520990.7817 404954.585 599958.8131 631914.152 954538.72 979876.1038 433583.036 879750.6402 615095.3969 820230.0184 866890.1922 1172009.237 1150350.821 15994045.88 15638134.98 516623.1856 785389.3673 752614.876 460736.7268 634418.2908 489019.5546 827547.3622 674283.425 562247.8105 773587.1771 1097856.521 976272.8736 782598.0939 468689.4601 692191.273 684854.8686 842246.4294 549762.247 410580.6924 710460.5856 656501.0102 17230289.77 17318146.47 558467.0695 408040.1028 484835.5902 1255850.731 387904.2498 860651.9756 905243.9987 789843.8769 568814.8216 701218.9069 863847.0275 1126521.988 1146639.406 544492.0434 610362.784 526109.5564 524676.0695 716572.7842 626574.453 681063.0048 670928.9196 17975257.66 18210141.41 501360.0912 785172.4172 337442.9014 553081.0752 651001.1417 469966.8594 929474.4634 655081.156 705000.3036 697819.2305 1036642.321 678011.2817 550061.0465 711783.942 640482.633 859537.0778 519417.6891 1294399.979 915347.2308 388336.6583 17305574.93 17399285.91 403263.6441 117203.1211 16145147.34 16152965.27 498470.2914 602013.3244 746166.6916 733483.2869 358356.1808 593299.0299 776695.4049 971461.0721 1008512.123 1342116.19 720472.9993 623688.0014 689187.8666 656916.915 928618.2708 5374338.4 19391771.3 17867733.72 867106.1782 1080035.447 713109.1604 871167.3505 709023.154 959841.6205 724913.8122 679195.6658 810211.9643 1336743.018 1185645.752 1160000.236 312127.5084 508416.0609 760408.7779 17691809.13 17004092.9 626043.3198 543192.1496 425809.5326 738319.3298 845274.0214 571767.5106 571258.8697 337026.9835 1053053.909 708075.9249 663019.1252 368579.4781 399040.1849 925321.209 1197937.536 18741802.95 16159318.05 898384.3865 674047.246 742965.2511 914850.1371 397803.35 775652.1651 589103.8031 1054026.725 708476.111 566936.3889 987849.6027 1028963.595 1001378.256 758421.1796 1280102.473 1085852.13 460822.2835 18873434.09 17395751.28 1290988.862 81267.82004 57544.7166 137931.4816 89517.65194 91088.90808 (9Z)-(7S,8S)-Dihydroxyoctadecenoic acid 47972.93287 1785349.996 2047687.025 1990727.685 676944.7151 3245204.991 660042.9191 1409659.596 817948.0409 1044913.865 970229.396 1647757.534 4857648.704 237306.4261 696456.2778 1790684.556 1046577.651 1630447.178 540138.7316 629694.5138 6374220.795 3114577.085 1176854.406 2044116.889 237982.7016 631312.9127 2571010.845 1186671.109 627265.0493 1531158.793 3150382.347 969414.5805 1850048.96 911255.7982 1197356.124 2604415.921 2108993.106 691251.4342 971858.8336 8323492.916 1151416.202 867999.3111 1187943.839 3199402.098 788980.9515 2455585.635 1855581.814 1433245.224 2879662.1 2449496.624 1419141.067 147121.191 2058009.307 1161781.762 337618.8144 1279752.042 749202.9846 3277534.94 2606268.655 4872363.592 2343172.577 2352628.668 2588100.878 3228361.572 6337163.863 210913.1649 307444.9345 2302891.629 2104576.213 2476989.749 154237.6663 3252233.737 2732208.342 2182688.145 962295.8388 1468154.489 701857.71 3866500.365 2419757.924 2145014.711 1589753.351 2543060.512 4882719.83 2504999.289 2272785.816 434715.6165 470936.8794 2872943.919 1360199.626 1280523.098 280333.5984 2009050.064 306200.3034 2504722.308 2427428.661 178641.3554 265332.0323 2291304.002 2742567.899 1747313.669 1595011.664 2850959.297 1996468.664 755025.7349 2343756.004 1088685.831 1382353.716 2727032.893 1870828.573 1452418.004 1782721.171 2936646.82 1629085.452 617392.9667 1435124.983 2773672.719 2970843.962 648069.8076 1684162.214 656736.0671 7277072.158 2268761.879 3567759.334 1866215.988 2762630.2 2431890.458 2043302.375 1968396.294 2163442.311 4466388.412 2406531.902 1508887.274 3022373.951 2582555.709 1640686.666 2077978.686 1640927.221 462191.1514 2253988.718 4296657.453 3695284.031 4710097.974 981099.3673 1136610.561 1051300.99 1473140.562 909902.4002 937435.7266 5978380.787 3229956.687 2078542.811 4277318.46 4179226.043 1809073.138 1343739.912 3788748.732 3960787.964 1923713.44 1450621.97 1182376.813 880439.0804 447257.4811 1122021.829 1059955.599 2117469.28 742336.5026 4460946.657 1755104.953 3212359.848 3088292.037 1905576.228 151242.6629 187134.7256 205888.9605 148045.3947 272416.5567 (R_R)-Tartaricacid 2648368.388 2511207.692 2759291.842 3201028.543 3672791.704 112831350.8 76541350.9 4545065.533 3831754.456 135075568.6 8791995.755 103606408.7 5169141.452 7779956.946 5196703.414 7732370.854 16903735.35 7509877.607 42752784.63 11362768.61 43744137.37 7895713.406 8079002.774 10877373.41 9076357.849 13617540.34 12554572.81 12645618.24 9012491.551 46888834.77 8983521.525 11101581.05 10703521.1 10122726.47 10576264.81 10630783.49 91100557.08 31483758.76 11926334.96 108993966.2 11187688.97 52448363.78 19430999.66 13472704.43 13399265.05 17436526.28 12286076.08 75128159.81 13813984.68 21539048.62 44443536.89 16580479.83 15970964.32 15248128.31 15753483.15 74620161.72 28825946.11 61200885.96 15568390.09 16388728.28 19445122.39 18786457.66 16842338.85 18982124.54 19267158.52 84445226.91 19108068.07 21717537.4 19733982.32 141418025.3 21802121.59 134423700.9 24114990.24 22043311.29 25092268.13 19008657.27 45121998.25 19918781.3 22834065.21 22578076.84 59948634.16 107721181.9 52560022.85 131353257.2 90082749.05 23854694.47 25446104.8 107804813.4 79261935.16 30449628.73 21127552.51 23517562.28 21746803.47 84249560.19 127523170.5 19576256.38 32751954.04 10382724.19 10462934.27 10394415.37 8995037.737 9756400.991 9564429.081 9488747.759 9091864.938 10447041.75 10561472.17 15729784.47 12590408.05 12467424.75 129267917.9 13952412.61 14611693.07 15033708.12 14519365.41 15021016.49 15158234.81 37187778.14 15299952.44 16708717.77 17878648.91 15586205.58 13534877.71 166771985.6 70905005.02 111864692.5 17221318.45 121089886.8 20394293.67 20290905.14 18358285.94 160182925.9 53804547.5 24054234.55 21929477.16 23690615.26 17113285.52 20142882.41 19766801.67 18717393.76 21926568.22 21540806.75 20562977.2 20426913.08 36086330.93 144704367.7 20845246.02 21718068.23 22362518.39 25020009.67 24666117.4 26460047.44 24680686.03 22575378.45 98415121.55 26041873.64 23953944.04 23554822.26 24845886.65 28215945.54 24029264.95 29014744.88 61855813.21 24265921.48 25714056.5 29738891.21 120149944.7 26495008.62 28802137.49 28974881.08 24890198.57 14200383.67 12605017.19 12303497.68 15216907.82 14257858.69 (R)-3-Hydroxybutanoate 850047.7848 95859455.77 56723231.74 33397910.82 231434926.9 154150118.8 98652863.82 124032339.3 105553949.2 131733723.9 37583008.77 206117189.9 72335837.85 71448363.79 209180337.1 79544428.49 72542398.75 45875897.22 429028815.9 76236711.84 28597942.62 43651018.86 101881949.8 111580815.6 137507278.9 55918904.96 60813276.02 143236870.7 149589230.9 128937101.7 70236664.06 68396579.03 48921424.33 56042443.59 96509784.16 32461207.79 51367168.58 294090435.9 353842649.8 73788745.39 83976564.15 78564650.09 165446223.1 105663526.7 51593328.72 86510731.91 48676376.76 60030844.86 55196118.75 60168710.44 57794976.55 143409938.6 562340163.5 103880792.2 181656047 79672711.02 179121909.2 622140743 56063446.73 46899759.37 79754035.84 222289976.1 78234391.51 106807689.8 43862602.64 178734247.6 141947012.8 53164717.65 54502756.51 186021877.7 175124533.6 52739078.97 58353634.66 64752189.86 307499562.8 25092365.15 91964573.25 48921053.05 68833159.39 96326620.38 127453614.1 73272283.48 43061918.47 61975334.38 73659751.38 93907675.65 259321682.1 52254947.99 93706977.92 28700048.89 2084893465 12304553.53 87989228.04 52577995.21 56221938.27 798812.7235 1298711.821 49923361.46 58743072.81 33941781.67 62513461.18 180137655.8 36630845.41 49625758.45 50372573.46 73207380.17 65719232.56 36100957.41 284013029.7 56924761.21 121309362.4 39369348.31 66487469.1 291085302.4 86729304.58 55341885.58 68452744.68 761407720.8 138079196.7 85482949.05 73018717.74 74830614.9 145281902.5 54751455.52 60594119.19 154221146.6 79390332.22 85793140.68 41732169.37 106232031.4 40523123.63 130938210.3 64604379.36 45144353.94 41871565.12 79721936.09 31813681.61 236738303 60905345.15 33699381.92 99315690.93 36260752.12 221550111.6 159262101.1 46076627.82 41398006.89 233288503.8 232688830.6 666530989.7 58373936.7 62255626.77 55205380.46 193385305.4 70871669.52 97281860.17 30801465.24 56701371.63 87352192.09 84681646.02 96638291.51 55007720.64 110464497.1 79298324.11 29863557.75 47958955.72 258831266.7 101414947.1 124812353.4 63718489.32 61227467.74 90506597.06 792694.8928 670175.7035 632775.8813 775988.9006 657400.7529 (R)-Lactate 15036610.11 1290096282 3211551581 2897118209 1123065581 1459091329 889607243 1702992684 985066085.8 1058017967 660799603 1177190160 671310574.9 888255153.5 1108148338 845155050 1779607693 902388682.1 817764878.3 843176985.2 409700114.7 857123882.9 658710093.8 1204589123 1044054811 2844678127 2494418570 1047359732 764076375.4 638511939.3 1308693566 1014806311 791043293.8 956821233.7 923667274.9 1344657897 870524218.5 852784397.4 650786759.1 799427881.4 827697921 608705120.1 792242278.5 677739693.6 666838149 1154182379 454211013.2 1228602276 2719261076 2481727898 638187651.7 1318396752 635121337.7 560536406.6 541324462.2 1187782734 847538569 2395422554 738172840 1038803624 1170361257 861906145.8 1224980035 1034156479 799651658.1 1442421965 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64957815.94 31930042.67 143632856.4 53776010.09 15315580.29 51152134.52 64110698.21 34358348.68 485742.3027 109266.4154 380946.9046 447075.3531 472564.7774 [C15.0]-Pentadecanoic acid 45104050.35 90345191.63 188029980.9 204864035.8 121905808.7 188943341 109044041.4 187244796.5 116804267.3 111517612.1 70808091.48 140383289.5 129450124.9 59622202.44 101160502.2 88076109.65 93736385.71 101229320.7 92563211.66 109239323.1 72198235.03 82807821.61 140770980.7 181746649.7 169685306.8 160677588.7 194441242.2 100786044.2 73723000.87 143950682.6 70026402 96139006.65 83281871.53 104752305.5 82794097.59 79931815.54 88346306.25 148032817.1 124990372.7 93117367.7 89173208.38 75851051.05 135450100.4 108765026.8 75711667.03 124083151.6 76459370.14 104513114.9 214525956.4 209412539.2 75692540.11 83589776.56 145879247.7 124925112.7 92992013.75 115815705.7 120085592.2 104033215.4 83993106.33 71410323.63 144279965.9 146939617.5 149702513.7 130643065.9 72524931.06 85700936.37 112337639.9 94790396.09 94255621.07 129495372.2 141084757.1 188607523.9 204364392.7 100899168.7 147892669.1 48680335.73 101303479 76085316.37 116506182.7 113050173.1 162495779.5 81642197.64 112034706 189219725.1 98028938.74 116216417 75015229.21 76601053.94 86088942.35 70996191.76 99098366.1 67359428.43 64615868.68 163321594.4 212266793.3 47435012.05 48892185.23 160903157.1 198143939 111500797.8 100074862.5 180948236 82149404.89 84388341.43 119057164.8 110636780.4 71333738.48 102266944.4 206977364.4 122837326.3 89107596.06 80233083.42 91933077.66 144163611.2 130522422.3 178948887.6 210589672 176342017.7 152419192.1 90697105.42 92749646.53 92894127.47 123109674.9 113592262.3 114303547.6 105504806.4 213931387 160434947.1 116302260.5 67051961.96 77668112.74 121710620.6 168620990.5 201822248.6 71558976.96 60736314.45 61607857.49 90014860.98 130756671.2 70340846.37 95539050.56 52708486.72 119394524.7 134681647.8 93773772.48 71916797.33 57205541.16 99335551.57 124084532.7 182995264.6 190536245 60300984.72 109859658.5 77414081.56 119488783.6 53737316.71 108888606 103038108.7 65008509.48 73054305.5 96437498.25 97089152.77 91898281.22 113923910.4 86302877.46 168882287 129148212.6 84458686.49 174302892.1 200277476.3 69075415.47 27392303.29 30006619.27 29117580.68 30333469.1 28558340.08 [C18.1]-11-Octadecenoic acid 211993293.1 15240504986 19875023077 22514644768 13075096541 19367377243 18955389988 22922042508 14953394040 17089364890 7964227185 22544136272 14700789319 6017204412 17157995947 11545013270 12933990992 10377539506 16368909103 18358691514 7821150362 13833830484 14545959066 22219749680 16456747254 17459475071 22128941308 15311008918 13923572883 20328493132 4840489080 12312018201 7725466614 12512310292 12675161626 9886453476 10218690028 19970659564 24073109492 10307248076 15766882640 10368906170 21515209525 17139674422 9724344819 15936665595 12281053088 12249696813 19295006931 23780145254 7002878609 13706818268 22865608719 17007891122 15915251719 12886330433 14424924960 17594092400 12200972312 9986117220 21600005429 26127809521 22986788339 22025308719 9456585173 15501258247 15006972227 14688518918 9606556271 17301369982 22737960156 18997010519 25337770473 12585789583 19732741713 6117083739 13195059458 8913069926 13476210665 14331606202 23829610066 12501308918 14318120816 20440021295 9236451469 15971586288 12159326829 15286292133 11300116323 7251914367 22473932225 8832133606 10086109379 17520505487 22929832074 192917180.3 203350426.4 18293719648 23235797086 10890651929 15939402973 22658885496 11323788358 10073568211 12191564595 17447551654 11138360172 13757790851 27358994607 17938612556 9944613040 6807801114 14750745298 21422984236 20209006761 20521425438 24306867669 15603451108 18872962712 12329357107 11312715050 13633966386 22756177222 14324426123 11596920585 16402172504 23774868319 19298569235 11972480857 13498076579 10759350173 18094688152 19310038359 23462723411 6984631634 5858603853 5230039521 16267108836 16981652028 8707715274 15465174027 6254584685 18005647740 13322572895 10798246595 9423059149 11836316002 15647591475 23818989055 20528642193 21958073055 9376638388 21113851391 11325199337 14965068859 5036962070 16667607522 10861622912 8195861257 12488162694 16688194984 11353375807 16085067091 13451900083 11474721787 25834347613 15918692213 14910975968 20311431431 24038260469 13675978796 158525693.7 132739142.8 117228605.1 113737005.2 112185198.9 [C18.1]-12-hydroxy-9-cis-octadecenoic acid 860552.029 4940363.548 5874500.121 6392320.07 6177367.124 8945231.081 5583439.906 7906209.075 4244982.852 5938669.329 2702640.514 7688225.618 6287084.44 1802219.205 7356495.792 3149201.739 3179707.992 4178554.952 6390474.369 3500355.516 3179499.846 4333829.046 7958150.959 7923870.094 6804173.761 6230362.343 5924303.328 5737351.265 5629474.421 5364200.027 2065111.664 2723433.894 2969362.117 4053651.371 2941626.812 3197490.442 3989898.447 6500543.464 7418895.658 3843618.413 3837202.387 2700991.763 7220322.563 3432302.841 2503194.702 5284461.818 3684582.638 4957193.802 6404173.451 7015596.371 2702381.804 9250409.534 6341397.429 3854556.973 4526172.155 5255065.969 5141697.837 6109306.296 3092053.362 3800529.507 5125772.152 13670869.21 4945722.17 6265416.388 2994701.197 5253919.957 4843786.292 5298641.967 3582694.527 5871823.666 5291454.727 6128380.951 7215904.754 3832332.855 5479311.239 2754076.988 4115313.994 2736416.809 3819152.84 6232197.399 5384311.28 6097822.02 3166674.851 4946889.562 2983559.562 6982846.782 8374726.894 5890718.657 4602057.849 2553232.389 11484821.62 4037088.391 4681327.996 6463593.34 7145425.11 573388.3549 738719.0619 6069858.451 7495390.306 4193863.368 5852065.751 7382894.836 4021722.426 2600737.57 4073511.638 3815910.581 3826372.251 3436514.447 13637092.44 6045139.143 5131608.391 3353221.182 4705731.404 7394457.747 4395256.557 6862969.99 8001273.922 4368425.23 7367294.174 6561086.498 4775788.873 7571574.63 9352425.453 6526200.837 3527695.868 14256951.13 4688525.884 9246938.254 5492158.655 6365597.479 4749454.471 6569721.701 6218529.916 6782281.548 2710647.075 7229624.901 2926250.402 4102187.99 5172799.728 4111356.608 10172153.34 2596935.314 8322585.867 4924512.401 3486070.468 3695330.152 10836860.17 5929905.583 6484454.74 6193247.575 6617163.303 3653462.062 9291207.642 2374868.452 5585753.567 2460223.852 3941522.403 7429760.589 1985610.028 7927839.959 5406721.752 6326834.48 5029411.677 4572103.292 3563428.827 7320287.68 9685855.996 5707697.186 6580727.455 7581067.019 5337436.479 977893.124 937016.8973 953326.8722 979173.1652 858270.5614 [C18.2]-11-Octadecen-9-ynoic acid; Gamma-Linolenate 727251.3522 408694992.3 1111067182 1336851736 361883821.4 872774940 626666724 716766864.5 499967672.1 497393360.8 312696086.8 1113512277 812575876.6 130216792.4 421738877.3 500107657.8 499542296.3 324196748.8 448906858.1 618828645.9 433525247.5 488674155.5 432138717.4 1067535267 498783930.8 1072538510 1449237136 524837123.8 320447386.6 930568633.6 158859128.9 379703926.7 208329062.8 607344287.2 440869228.8 555636376.6 245218951.5 579228326.3 1228594279 437189499.4 549659573.7 352225484.2 626802175.4 965899280.3 282615758.2 684082949 437172840.7 404535892.8 1162684044 1549705697 196378511.4 495174608.6 738802917.9 334411979.4 290278478.2 339562344.7 400032134.8 603556489.4 345675243.2 465158399.7 891662845.3 1598602986 976269303.2 1155007608 372736095.2 445003487.1 636121610.9 564851084.8 343884692.4 569517779.3 673851452.9 1244469242 1655565254 637857465.6 449930336.2 122944326.6 447279135.6 221275900.8 677042661.8 406416525 1048487923 543015373.4 696181280.4 1488596890 361499302.1 570030726.5 367025836.5 628065682.3 331899521.5 216961336 674483678.9 275377507.9 297463142 1102580563 1546122874 1668778.467 974952.9018 1115863208 1522568162 360541887.1 864686004.8 1333882029 566671179.1 249633072.7 519564415.5 794100393.6 316351983.7 454441963.5 1309974376 705052372.1 393736565.8 263594906.1 603140259.9 775411084.1 2000034086 1317034020 1652700289 367358199.9 973685025.4 301036994.4 433160582.9 471761238.7 1051446445 509297776.1 449799495.7 570464057.7 1089229075 1528933801 421634002.6 463874013.5 417426912.2 930234463.6 1156016185 1524202448 217201201.6 197132551.7 164273116.7 359473765.1 578862284.1 448358739.8 557422613.6 178599967.3 716259946.1 456807630.2 368930681.2 208813525.9 478910350.1 532520857.3 945452015.8 1254502904 1369403170 347738929.9 996827126.7 495607196.8 459573300.5 178211504.4 1030423610 488216952.2 386431303.5 373128649.2 480184483.8 545988322.1 785979580.9 609913992.5 515574566.3 1391485808 711580088.8 496233231.7 1219900934 1527747901 428838376.7 1225151.853 710368.2661 517197.5294 437690.239 301240.3692 [C18.2]-9Z,11E-Octadecadienoic acid; Linoleate 36106249.73 8058690613 16195671736 17310409424 7494993591 11788816425 10721390449 11405165277 8754948015 10512508871 5133970246 16203853993 10111443142 3309587474 10659575940 7560423341 7149457845 5166286790 9528907238 11358677185 5733074721 7923939968 7192453563 14222843596 8451749849 14474485684 17373895669 9810594878 8021862415 13305180864 2915610677 7055991475 4289284592 7804010638 7514995294 7335582670 6015101225 10604060789 16053823593 7504792576 9808095402 6648650135 12284415450 12624892902 5935079922 9910342531 7233735974 6885289527 15171526848 18151524251 4853667792 8417739662 12103156251 8200384236 7989998889 6669093832 7180504512 9142729562 6989507216 6038578255 14073108312 17275946775 12817885620 14839005454 6207413796 10314520402 9980897154 8362841615 5473257140 9635005026 14330724835 16020520117 19133404270 8638739280 9382002032 3082542662 8126867137 4241161817 9035257690 8794064397 15356548928 7729757851 8694096601 14876496436 5752540366 8771251204 7146404344 9952529899 7437576702 4725520253 12454060806 5201207324 6510262776 14693787637 17962558757 68438403.66 49106252.72 14752162421 17841147184 5695391234 12228933321 15581447406 8538255987 6186758707 7891091917 11882791516 6645492786 7666806662 16526846987 11368228030 6352539420 4446864262 10577761060 12031143641 17046942828 16551073473 18185938738 7592096172 12008515931 6558855575 6536332478 8384514771 11676536559 8839347180 6527947689 7425433884 15401168459 14238222932 6067477535 7602115953 7024819424 11799627051 15121443746 17575365217 3989686653 3269809142 2701439712 8355019387 10534973281 5897255787 9158540763 3399819578 10541632442 7835569175 5760950850 4879425242 8242982626 8763612789 12762759911 16206103174 16953121940 5146450209 13453173975 7279693372 8042887966 2975542693 12564842156 6633721626 4117901116 7598816653 9939453215 7715826210 10542663530 8349732406 7039178713 16423478707 10006327581 8762787507 15943021173 17821836673 6806400254 37287077.29 27519393.32 21645545.93 19487276.23 17197120.67 [C19.1]-10Z-Nonadecenoic acid 2597668.104 82306360.02 111156792.9 127697331.7 77366459.71 118934662.7 103851831.9 167307087.8 93737566.24 95182540.72 33516294.09 114194250.4 85873314.18 30133749.14 104143283.7 52847175.22 54998705.58 54152814.92 97275649.53 97115007.46 35800827.91 65711344.84 87882529.83 150041587.9 88166185.52 83098008.53 113236542.9 86109491.04 79860238.87 105363205.4 25119244.54 60098186.86 42294950.17 52475021.96 61694136.39 41735491.45 47397464.35 136845563.2 133224576.8 51002302.73 84826883.48 48617145.62 146170342.9 83515339.36 39434172.76 116893719 58971375.55 67195887.32 111036978.5 134324576.1 34018709.52 78979247.97 193260094.6 122068167.7 114032525.3 78462507.96 84105429.92 107931947.1 58506831.93 49424105.13 140702525 209503570.6 152640040.9 145697827.3 41568113.94 83273594.25 88570957.75 84997034.91 48167968.64 112885963.3 156575235.2 100918172.6 146187182.6 68772406.29 132362429 35457750.32 65049308.89 59411643.12 82454740.52 87202732.39 150471631.3 64019161.62 61654687.02 94142108.8 45357023.04 114310491.5 75322310.02 89012446.54 62921611.38 33212297.31 198322940.6 42057936.05 52756452.74 87508285.74 125831361.4 2548334.219 2501132.552 91351012.62 125121590.1 56082889.31 77778874.47 108789904.8 47297661.84 48247131.48 78871477.46 97949881.08 49632284.21 68462550.42 198613307.1 95311553.09 55457657.58 28741203.54 67790998.27 135983744.6 136777482.9 107713388.2 131202415 115583881 99632918.58 71944690.36 63893429.89 66227024.72 128090173.6 83006470.28 79999103.81 97101319.98 168143511.2 115667360.6 54075854.53 51053933.01 48446149.19 100269079.7 96767556.25 122978176.5 31869213.96 24894449.78 26368748.93 98161809.04 126101976.9 45883073.39 92203896.22 23498668.35 106716133.1 98215072.03 59956952.81 59056420.59 56912788.46 99598994.82 142461393.3 108669032.6 113657392.5 39067828.9 116598221.6 45651077.56 77851032.19 23281636.23 80713200.49 66036385.3 33600843.37 55707521.92 99537710.32 51272020.48 88672178.65 80356389.72 49653779.11 168950478.6 106528509.7 84156189.9 110806425.3 133276772.6 69650940.05 2894790.923 2473108.046 2624328.468 2523866.489 2626454.227 [C20.1]-Eicosenoic acid 4180472.141 278052557.3 362044483.1 446295168.2 217894781.6 333078828.9 316004143 560949750.4 338920834 383577117.4 132517196.7 395646287.4 222185948.6 125370222.3 376616284.9 171892093.4 200713342.1 156291920 367093623.2 306920795 132772422.6 344053400 274597120.8 344520261.6 342959555.8 310418173.2 405770052.4 327163799.8 301434332.1 363521609.3 88802127.86 210322887.8 156078983.1 199445147.7 199128205.7 154998193.4 178339071.7 341933931.3 510161738.8 174187777.3 339401215.9 172008029.6 637277390.1 287009421 141439908 333130518.2 218392902.7 204947192.3 366104527.9 467396035.4 97569634.63 304337986.3 612167563.9 423138989 333754837.5 225981319.2 255441928.5 426036053 222893988.6 197487606.6 512564886.1 582323654.3 482126819.6 626181358.6 178635653.9 329584070.1 246362071.3 320553720.4 162655232.9 435585088.3 423874342.4 347313776.8 486505394.1 179920429.1 388457582 142180617.3 266109078.7 176384682.8 225625024.7 266454719 632202336.5 254886938.7 200788721.2 332173543 157980171.6 340865646.3 252712005.7 278371340.3 206600658.8 128868323.4 554100772.9 166863512 170670939.3 299338816.1 429256726.1 4304456.619 5817109.81 321514053.7 445624285.4 177621433.4 247612538.8 436933676.2 219190746 246028146.4 227983749.7 344411484.6 222037639.7 269457571.1 661834176.3 330009361.4 165200809.3 108703126.4 293298566.4 506436431.5 377075882.9 362703839.5 473639392.1 285281379.9 427661430 245568457.8 178993684.8 305145770.7 539528237.6 293491208.8 202573160.8 381332884.4 644254156 383278886.5 227281160.6 330927303.1 165422781.5 397619761.1 335358417.5 440053614.5 141390783 88076188.52 71147523.4 332606437.1 410149196.8 143049331.8 291809212.7 95472551.56 523203878 251869736.8 172533551.9 205113615.3 210775029.3 334134819.4 553271650.5 366285769.7 400429624.8 178982006.4 490007374 173032895.5 270390286.9 76138470.98 275400466.1 209127889.6 123742058.7 205725331.7 397122637.8 240014244.2 249318738.5 251572351.7 188504545.6 579890063.4 296127574 375434058.8 375328827.9 440289669.9 254202696.8 2617334.21 2767841.708 2691161.936 1716489.235 2447332.862 [C20.4]-Arachidonic acid 1238237.302 748359368.1 3955092451 4335153038 602684944.9 686797929.7 804361970.6 512756875.9 635292800.5 799115278 405029840.8 984032547 703653109.8 407289272.8 859114395.3 376597142.8 335970520.3 328724269.3 794464516.5 940721082.2 452052529.1 687107798.9 631334630.1 1150611704 667606067.3 3665943217 4474183630 842490724.3 869311960.3 994088895.6 266515644.6 402870051.8 395507473.1 718676916.8 475128096.5 507463125 405394490 819917328.8 1271699514 469654513.8 740514539.2 382348073.8 1113425736 582540452.8 570168735.3 1097772377 562637323.9 632489410.7 4040417485 4730282047 367030291.4 512339901.3 688620763 616810514.2 892100543.8 570190688 552099227 853330156.6 545799533.9 696269339.3 815675710.8 1487446103 749501410.4 1192305134 674481008 911689686.8 665593525.2 626419649.4 430981299.9 652559632.1 1327916192 3893764123 4960639966 732593966.3 787755583.3 293582225.9 634626735 372291024.3 842838952.6 569423758.4 1128380537 799986248 608918614.2 1450317016 361163218.5 933285077.7 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1963373.047 1264637.342 983297.5639 666643.5336 [C8.0]-3-Hydroxyoctanoic acid 427657.1705 1679135.867 2326821.692 2756693.098 2506924.467 3741711.63 7245402.873 3145452.88 2141148.632 2911521.915 851452.8645 2791997.757 2375364.61 1043170.981 4342012.903 1519807.987 10199872.58 1412006.759 2207211.726 2256279.216 1396518.075 1114087.998 2987038.867 2517655.588 2871674.794 2241644.482 2881799.77 3169739.812 4114803.855 2005121.683 1181685.613 1877699.162 1897813.038 2223460.562 1069892.863 1310091.474 2120637.612 2691064.022 7960523.953 2163041.826 2106031.02 5218604.289 2814052.001 2725063.256 1394696.666 1391139.472 1989012.861 1307783.348 2436561.746 3011592.927 2406769.228 2107989.489 4326263.388 1958820.129 3259115.457 2757848.472 3449329.727 10181766.06 1556735.307 1217955.184 3071005.49 4304942.607 3565902.091 3085518.706 989832.6392 2890239.367 3037543.972 3888239.916 1881771.097 1555973.846 4035166.363 2403713.378 3084253.245 1601291.79 3029915.887 2100102.372 3121842.279 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3395833.443 1761587.71 2385294.97 1440542.118 3725684.065 2431213.024 2183847.852 2496058.463 3401346.296 1793868.136 415741.637 518875.5819 418116.7456 525157.2764 439117.3436 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid 386815.691 565734.3554 497493.8348 573888.3744 418938.7711 423130.887 2789698.365 1116591.622 446486.905 791378.2465 505971.3793 627524.8262 1253552.703 498443.8096 481044.2603 441596.2261 457034.9686 484299.2417 467916.3191 489310.587 610573.3666 421673.9996 637907.6282 465098.3797 5737983.253 496187.9567 609802.1003 866354.6008 440464.5148 500557.3558 454570.229 488227.0587 583588.7621 451844.1686 487330.4372 461733.7298 486311.0408 482423.6113 467006.7868 687996.2127 489888.0681 506803.5347 519455.6976 432741.4181 406591.7951 558338.3068 399592.9086 553172.1026 801693.1465 601266.1815 748958.2966 483413.8131 449202.2871 475226.8863 456361.5193 132073.2339 442614.2504 840892.6457 510980.4435 435865.4591 725671.0033 437882.9919 462418.1484 613514.3992 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319170.9649 414048.452 671466.5326 322578.4928 303770.2926 378840.678 406823.6032 1116040.935 795891.3656 694496.2799 877316.5505 612986.4827 548094.9576 335799.7544 369638.3184 379612.6843 460252.3435 393161.5969 646955.6418 339797.1918 375500.5174 627148.8967 446852.4558 296313.5723 294378.9331 510401.6804 329704.3614 326377.076 10-Heptadecenoic acid 8456478.261 246088376.7 335671281.7 397285870.4 219859776.8 347528432.3 266133726.4 508376775.8 245616770.3 205258709 94469106.99 365620084.8 238758626.5 69214081.13 217164665.3 158806379.4 152532432.6 191364880.4 211121403.6 369882872.1 110764136.5 147501344.2 216213149 608284534.5 246852902.8 266913952.3 366754320.6 183021572.1 154706091.3 355447174.7 58390956.77 162027963.7 150206747.2 155857463.7 214120187.3 114205083.6 105863441.2 459531642 394989421.7 128409117.5 224320269.7 139076727.6 266746240.5 303561738.4 101869490.7 298094523.3 155567403.5 199301497.8 336828482.4 391816542.7 91652495.45 194195073 375168263 266231740.3 264778103.7 212183349.8 235580722.8 196425379.2 130166210 124026662.4 332042899.8 629340674.3 451983867.3 297951555.2 97243164.77 189885311.3 325450836.3 219614720.2 154793775.2 241374487.9 451217344.9 291749598.3 417666187.7 191381452.6 355854459.1 64188638.91 174642488.3 114860035.1 232937816.3 200067160 285694160 145912074.4 243602051.8 331939964.1 129989941.8 245540662.7 140800804.6 217968751.9 145553537.8 83785341.2 396391769.6 95095720.41 133285764.1 268846899.2 377014457.7 6422085.506 3449479.11 282673538.6 381565490.7 154006281.6 219506213.2 342417383.6 131541543.3 96671004.61 170191731 334185118.4 123909826.4 191532625.1 469018003 284498662.4 134520750.7 69055058.9 155632718.1 325455549.1 318497783.8 327398346.5 396727338.2 250247410.1 245883493.2 180611478 156014220.6 149461862.1 395759049.8 227624401.9 174654609.8 245831609.9 480216747.2 362148998 160981298.7 124735540.8 109225563.8 242199501.2 276035105.2 361154130.9 71888821.31 68816471.74 65810181.49 205375875.6 255796902 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3013983.241 2583045.987 2210354.018 2480899.797 3019320.969 2156380.467 2146440.946 5296301.178 2390234.198 3107579.454 3690231.611 3802612.258 9506288.205 1761692.219 1792572.799 3476079.585 8301114.004 3335040.389 4803367.4 1410805.867 4096576.464 2587891.17 4569311.916 2683979.97 2331989.797 3242722.341 2610863.239 3042166.094 2314959.171 2482277.108 1966922 3848454.339 1733653.274 3158870.831 3806881.69 3300160.628 3257671.086 1592162.524 2828685.392 3184403.378 4297395.274 4872563.829 4127195.098 2842021.717 1529739.757 6034458.442 1911831.392 2118733.456 2360032.162 3008151.587 108920.7239 93123.97963 2328936.009 2755626.68 1814994.876 3403151.27 5506711.494 2744010.343 1547990.243 2132498.224 1876122.768 1997475.114 1530944.095 7700504.099 3770499.34 3641466.759 2846625.156 2241724.133 5044344.16 1760995.184 2845431.383 3023174.786 3991357.751 3963620.068 4296628.176 2436372.587 6202849.187 5901101.599 2832987.342 2217231.888 4379938.059 2178042.418 4113822.153 2868883.002 4075435.11 2803719.969 3463929.839 2512724.924 2820732.312 2422862.248 726532.1844 1815201.374 2571921.8 3822697.937 2710467.509 8542173.712 1962017.941 4083484.27 3987820.983 1946932.098 1936776.881 2548935.934 4067280.486 5026302.284 2790150.086 2705431.824 1795222.603 5053982.102 2672381.095 4146547.515 1250879.269 2056350.619 4019673.374 1949057.796 7802102.811 4148898.207 3532338.925 2326341.738 3169413.427 1788173.68 4853525.738 4184041.502 3377963.832 2687781.835 2880928.093 2159414.38 90574.19746 84290.93648 88352.98029 72820.4116 108609.3745 10Z,13Z-nonadecadienoic acid 842945.5897 11788787.69 17714894.75 21154672.07 9947901.998 14911577.18 10349224.06 20518833.66 12618303.55 10651489.55 4944548.128 19047537.82 11031877.2 3317901.933 13726238.85 7206836.663 6373143.167 6553284.208 11778914.86 11727093.9 6783507.115 8316690.853 8256820.519 20533148.2 8254559.348 11382018.58 18026920.62 12524041.56 11344227.68 15624313.59 4564642.555 6669634.206 6660559.469 8332928.662 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10436745.59 12687747.52 10114965.19 7367263.25 8597753.764 15623903.93 11930019.22 8931944.648 11273497.41 22705218.04 17940206.27 6606607.647 6038196.698 6613903.25 11756747.88 14130965.39 18804142.74 3619741.066 3777761.998 3139058.536 10982662.75 15873673.02 6887678.619 15152582.8 3101294.641 12825817.99 10612841.47 7434618.984 4910630.021 10287275.54 12255941.73 15504415.55 14960936.18 19335869.8 5648409.576 17580032.58 6021770.13 9221590.238 3142846.509 15805477.32 10981899 5907305.119 6733333.603 13636996.98 6898414.75 10934215.33 10551538.58 6455339.53 21416833.66 13116662.46 11949934.87 16222830.49 18890184.56 9204277.644 951720.1837 1095546.16 389634.1698 554999.7889 566667.7962 11(Z),14(Z)-Eicosadienoic acid 1428756.748 307130269.9 481401601.5 531255330.6 257732348 410717156.1 369334846.1 496037460.3 375521583.1 463622766.3 158105126.6 589569405.6 313117399.7 134315055.2 492710514.6 220795330.4 190452895.4 153691429.6 523134629.7 383698671 178201768.3 344856275.6 230183163.8 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261097968.4 743778678.6 410451558.8 258800315.9 109911326.6 417271246.7 552661318.4 416405581.2 478855237.6 567865904.6 249011441.7 344218658.7 338924007 210333534.4 327063478.2 372327569.6 343955925.5 262564769.7 306559367.1 716431544 528599979.8 201102296.2 286866026.4 244420863.4 449438545.3 430689547 499641908.6 131651282.9 117166853.3 84728709.66 398669398.7 470621064.7 214784614.2 446514966.6 101914138.7 350684757.9 319041087 202973893.5 291427291.9 345468888.4 342359223.2 462513274.8 450278029.8 506056010.8 171562611.2 514546270.3 190711126.9 266010815.8 97940973.24 429492270.9 255911440.2 104672704.9 268470415 491036661.7 231454735.9 317710051.2 302409307.5 204856147.8 651927406.7 387639908.6 432759991.7 469970781.5 590739039 258959836 941269.1364 203716.1121 1504475.374 1795351.589 1735736.656 11(Z),14(Z),17(Z)-Eicosatrienoic acid 895413.2444 3178086.284 5352535.386 4677750.421 4059662.024 8.55E+06 3586969.807 5880132.029 3587535.294 3.83E+06 2554374.213 1528742.333 7176155.906 2042167.583 4146282.53 2973696.852 1560792.049 3282477.499 4659799.775 3584842.629 2932148.61 4459229.241 5145505.216 6410610.885 5256753.784 4393220.438 4478996.29 3990083.308 4005621.831 4631670.915 1862797.059 3007838.611 3235716.855 4197182.848 2889417.686 3086756.99 2629457.544 4282412.767 4567591.245 3.49E+06 3630333.552 1508522.999 5194936.836 3141778.266 2635643.311 4784858.499 3300565.742 3514987.448 4583588.428 4936375.882 2476968.045 3346042.3 5387560.673 4047415.029 2963541.816 5557176.943 3885661.717 3334965.323 3055987.579 4502483.203 4938747.217 7265372.452 4434960.867 6340586.142 3654609.718 4391034.555 4077652.52 2953447.03 2455805.711 4556378.667 4188250.101 5092817.26 5489662.306 2933831.985 3011887.639 2257199.006 3411703.55 2760022.104 3954121.554 5244362.671 3894897.543 5488534.185 3534730.793 3020738.464 1775236.659 5364419.35 4098682.29 4413613.353 3082714.912 2602822.798 6794925.179 3785107.24 2553601.606 4684913.409 5453726.984 227855.3118 546275.2499 4383537.93 4924942.201 3023351.285 5454654.23 4225095.767 2805823.459 2331207.349 3554365.746 3727900.079 3047864.506 3241322.809 5787439.844 4261868.856 4.84E+06 2462631.387 4496737.228 5214729.705 5199001.035 5130410.357 5206243.299 3639621.259 5978975.674 4871804.539 3873698.187 3192610.803 7852689.918 4.75E+06 3214497.443 5710018.838 4859537.104 5.07E+06 5426225.701 4258196.863 3994657.578 4.17E+06 4885138.697 5456300.007 2791926.814 2439719.805 2162705.561 3206260.838 7511269.81 3579221.723 7819902.638 2928067.982 4864308.088 3947436.98 3544906.527 4.15E+06 4969853.429 3298518.487 3820506.896 4851429.764 4077508.631 4070027.502 4536179.742 2109224.992 3312476.843 2266094.778 5721779.006 4820009.933 2014379.566 4217781.402 4821660.664 4681713.655 4838162.19 4707496.099 2559539.914 4801495.378 10995030.71 3326281.481 4923316.773 4698480.096 2691057.905 144672.8757 517116.2816 207374.6063 208812.1013 223679.9556 14-hydroxy-12-tetradecenoic acid 118209.4298 1829685.196 2736707.949 2661588.924 3608199.042 5990505.502 3407142.003 7705016.561 3099345.393 3593500.909 1695292.638 4639209.538 3553003.731 1349966.971 4772250.113 1643686.06 3052530.03 2624765.148 3414585.561 2268139.734 2284439.601 2500173.202 4546410.446 4425345.818 4618141.909 2655246.937 2865554.903 3559804.394 5258143.419 2563264.138 1386495.232 2057793.45 2261996.036 2874890.652 1893841.859 1884868.452 2340276.665 3354493.788 4764474.92 3175751.549 2216475.681 2603428.972 6346002.391 2523189.486 2705666.544 2421295.805 2603195.137 2774843.476 2979004.03 3216083.46 1740467.669 2504687.73 3612027.294 2833975.612 3115117.098 3504207.705 3464834.239 4350158.839 2403528.915 1755667.264 3121372.059 8809619.013 2853557.476 4241663.295 1804860.911 3356626.442 2096009.8 2751715.052 2246052.244 2373015.192 2999017.919 2719596.752 3062029.397 2122471.041 2371498.749 1983881.559 3517602.805 1330031.276 2715659.833 5842703.623 3564178.177 3435872.694 1682347.078 964042.1744 2197505.937 4284909.959 4362058.431 3962435.655 4087138.696 2186664.03 5946642.753 2151186.461 1992869.122 2618490.651 3072851.195 206101.1554 46739.69192 2573256.268 2994669.632 2387931.985 3805450.772 5040505.322 3772329.255 1514707.014 1854481.802 2758448.172 3050699.716 1881003.686 6194349.402 4255102.335 3431901.377 2960640.831 2670717.711 6753242.12 3770082.057 3304360.66 3350852.737 4983208.423 4753228.434 5300825.59 2744615.198 5324051.584 6506103.141 2967167.04 1608235.857 4537879.617 2574516.159 5456676.347 3408659.04 3691414.648 2288224.206 3213556.891 2731294.902 3180462.807 2207962.02 937693.3173 1568425.467 2602532.37 3631513.01 2175789.381 7120379.304 2011876.58 2990731.974 3932133.404 2113271.517 3044765.781 2410326.57 3404982.889 3856949.078 2952284.104 2713142.827 2952869.214 4905280.823 2128740.026 5838330.974 1352744.913 2534443.537 4658269.705 1761913.486 5742424.396 4322364.029 4056151.935 2547826.47 3229202.953 1904508.214 4524237.294 5680706.497 4344602.825 2944671.876 3154096.715 1945265.901 95230.55875 39121.37599 75087.54967 142714.4001 43983.50485 2-(3-Hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-1,4-benzoquinone 1791083.656 6918711.924 3732782.752 4162729.131 12902672.04 6309208.181 4498845.691 2903527.393 6504606.395 7651995.504 9972439.734 5396966.282 7130606.47 9453924.347 8599074.296 5056408.344 7907403.464 3541089.197 5897474.42 5356035.603 7446652.633 3405987.51 9498805.973 7689071.957 12594007.56 2718133.58 3716196.657 4739996.644 10621955.43 5901103.627 12628516.91 22297408.42 15485983.58 4168106.499 5504959.898 10333941.59 2403252.894 6885907.819 13667693.87 2073002.73 6847687.114 12284471.03 12067421.83 15058163.91 6124092.566 10102014.59 14426339.19 6425745.651 3745261.088 4126796.47 8429295.373 5759317.682 3908555.779 15302307.62 8315975.593 9157764.004 8173868.284 5689581.819 8115922.004 16314639.65 12927388.68 6519569.397 8796216.923 7666378.23 3526451.908 8566054.462 5221789.246 8621176.422 7304386.51 10719353.87 9281062.213 3674605.185 8121542.423 8272906.005 6909395.296 4235520.872 4572087.254 9282350.654 3758228.582 14099578.5 8619745.719 9661853.144 7464411.566 3499706.436 6515213.06 4207480.576 13929086.33 4177030.222 3477017.961 5350380.896 4882770.672 7564867.971 4332402.818 5146003.357 4120719.348 1914212.745 1585179.995 3589101.888 3977922.224 16623311.86 5220309.057 8756959.324 5779951.275 15759769.28 4822907.751 11248906.37 7410200.153 10057778.81 7935755.679 4416593.311 5404759.196 9188434.771 8463812.391 7358834.152 2140164.535 3270338.865 4666599.779 3981152.889 5127435.321 12379123.73 7230493.583 14256943.63 6722688.47 7772999.304 7404518.385 8076707.124 4587240.502 6097443.898 6359456.191 8462297.473 12418630.16 5445696.05 3227004.009 3797591.007 12464296.06 7651869.802 6870903.891 5596049.432 9296855.876 7586604.579 4889297.303 5812730.084 12374598.71 9233202.648 7157227.075 10802072.4 12290245.39 13793623.83 8569602.907 4056543.78 3819615.897 9933405.389 15046183.78 8100077.835 10345119.17 5114049.71 8424343.462 8935697.814 7230076.672 9738236.788 9836666.932 8418341.381 12761173.48 8446887.011 8332968.976 12655605.43 3546194.702 15296356.36 6882383.583 5371397.885 6468259.413 1433047.108 2203465.243 1638812.548 1618141.341 1192259.542 2-Chloro-1-ethoxy-1,1,2-trifluoroethane 460323.0044 8742187.164 5148356.714 4431235.15 21086885.48 8756859.586 19997520.82 9315566.804 9776246.174 10485624.68 3108061.876 17217433.63 6371876.148 4953069.307 18361099.48 6417515.982 5411317.517 2902331.489 37877595.24 6505154.985 4314824.434 4207790.418 9860578.079 18161217.99 12040039.6 3764840.194 4239301.416 17329848.97 14827762.13 12028476.29 5949759.124 7012273.885 3932951.427 5114989.473 7762010.604 2490634.336 4483211.953 25949609.33 34979612.63 6756185.943 7964748.014 6672595.228 15025416.61 8866939.129 3800176.892 5274782.432 5362559.154 4882534.444 4053686.016 4166061.895 5510705.821 13466888.71 49830579.39 10125308.99 19705843.32 6556731.782 17130436.5 51671729.53 3896446.436 4372667.122 7003181.971 21332939.16 8551932.38 9996010.148 2633127.173 16818051.22 13200380.92 8818362.788 4607122.103 15503931.15 18134125.26 3718087.43 5131476.641 5237104.028 30638365.62 1969917.812 7909574.315 3861328.566 6632027.95 9439388.375 13189806.31 6287542.568 2020671.344 3761897.562 6889620.101 10569531.81 25689242.68 4230263.743 8514236.297 2178568.03 195847798.6 2010996.845 8742671.494 3367514.591 4124144.593 603340.4766 484580.5347 4242645.768 4587839.27 2256358.25 4492328.941 22832891.7 2628973.525 3822479.865 4470097.431 6279697.995 6285809.763 2725081.49 27569576.61 5003032.327 9196030.942 3127450.583 5248623.726 29705120.41 7855732.321 4119558.733 4798535.184 58231398.33 13471506.41 6994979.641 6234711.984 6278534.419 13209479.61 4925904.412 3620807.682 21336204.83 6157732.984 7873205.705 3445226.93 9616503.388 3080383.599 16180663.01 3489242.441 4754266.905 3332984.136 7624488.382 2751429.794 24912983.79 4440286.95 1531700.298 9080941.137 2933164.083 21678634.04 14628462.09 3865551.808 3561554.724 23106902.18 22969884.05 71548761.2 4449267.676 3202387.853 4913868.725 15603947.51 6499398.12 7081558.309 2113504.157 4344477.878 7538730.82 6389091.33 7703463.241 5663274.195 9023458.437 7164264.025 3880500.493 3392211.107 28382149.93 8412076.813 10472472.2 4331888.48 5033138.388 10222391.71 497286.0507 506181.382 477933.4262 586101.7224 496532.5062 2-Chloro-1,1,1-Trifluoroethane 3785166.083 615848818.4 578233923.2 534101337 598903128.1 575232426.6 616371687.7 567481203.9 616428797.5 606574634.3 594823133 71911282.95 595072244.1 593307361.1 591883902.3 582121416.5 608716055 563461764.2 616241177.8 573275494 614310873.7 607243621 579208874.6 616799921.4 592080990.7 551722357.3 534210660.3 600460393.7 613757698.1 615679829.6 565669702.6 590091019 611321115.9 624995050.3 585379110.8 601433395.3 667018059.8 637497936.5 632036616.8 602684272.1 638228084.9 614453904.3 606151577.8 598892079.8 624837037.3 517475828.7 620363368.1 568032869.9 544783543.7 561017337.9 608730559.2 581261717.1 537503949.3 611119842.1 619897759.9 562617226.7 572743003 484193403.1 627849721 91598158.52 585687958.9 620391857.9 610984785.5 623383486.9 620903515.1 99625129.32 626658010.9 612953872.6 619317248.5 613157235.6 636288683 559889128.4 575354075.6 609611516.4 617047754.5 620532651.5 596605242.3 567373436.2 618856485.5 623066199.4 649876314.2 631901816.2 620758824 57777331.18 76671718.23 643848604.7 621062094.3 603190025.9 620276704.3 610848388 544297672 612728712.2 599503699.6 555390555 548374761.9 11822533.78 3384059.538 534419570.8 528365968 593699998.4 594127892 596967277.2 581645274.5 604314437.2 592064782.1 575435120.5 646178435.9 602573680.8 588989858 579527034.1 561503528.1 600489131.3 617027202.3 603600352.6 607626423.4 552981639 542380337.5 512268335.3 598760016.6 600846599.1 597203787.5 583533715.4 594973959.6 599854916 79089589.09 619570424.8 605602227 612139751.3 596753295.7 598923474.6 599223838 600221090.9 559162306.3 559014657.6 657705495.8 628128220 611564967.3 602833947.6 617771118.1 623256773.2 637819782.4 609787976.6 595615198.3 613460550.8 605935881.1 613255237.7 606020248.2 627184004.8 605310245 568239918.3 550585910.1 574617761.2 578706989.7 592454517.6 614849284.8 629582350 616374277.4 584806676.5 586398629.1 628285264.8 618787331.6 609560633.3 631919097.1 620723379.5 628760879.1 601500563.3 596478907.6 574742729.8 563607655.6 549276983.3 623489074.4 15445176.23 5353969.328 10122081.13 5360172.468 5744892.956 2-Ethyl-5-methylhexyl benzoate 35939.16679 663349.1436 1424224.12 1648913.969 745532.9489 1436200.631 1234206.831 2244854.347 937919.0635 879737.8592 717716.9306 2302976.096 1381967.97 309055.0822 1260312.793 457384.9986 763207.1077 775792.2159 605201.8008 1284599.637 1791628.297 775630.8516 1188386.164 2297260.631 1480336.622 1370972.2 1489702.824 803500.1168 1373413.52 1269230.767 345137.8767 742899.3811 385389.1989 1733281.929 957001.7057 1288011.219 429622.8902 1222700.803 1755541.023 899198.1236 1329119.733 443632.0911 1875828.774 972640.9855 725803.943 1730177.372 717615.368 852153.9826 1558346.045 1794415.898 422348.4632 317138.5911 754491.9772 826373.7751 639778.4272 1360435.238 1204795.38 1120084.656 462458.905 2253161.488 1500159.977 2393617.453 1023577.469 2979176.341 453668.2248 1568868.376 755631.2833 1428071.406 961387.1573 946387.6384 672562.5453 1591698.517 1800203.458 789514.4962 570146.2158 200461.2254 1210642.122 379764.4916 1972761.169 929794.8479 1360440.478 2379541.311 944084.9694 1325885.269 546413.2127 1612272.205 659158.3295 1472911.884 598893.6354 429573.5728 1189946.523 940592.0391 363387.2006 1244450.871 1836759.671 33704.81532 56613.33916 1439008.464 1713137.098 675797.0314 1531547.579 1426069.291 731893.4431 277321.7104 577224.1414 915935.2396 840832.9649 1097939.994 1885474.543 2474511.533 814445.5245 819301.2048 740713.2676 1354599.096 965563.857 1763830.929 1815751.45 848785.7732 1178119.531 1450918.358 468678.4774 807693.7019 6354037.783 1132510.624 633652.9105 1586479.269 913213.5367 3229272.811 1607647.766 2498235.397 1101413.569 2433494.76 1446872.932 1768386.316 802457.9011 264959.3273 271541.5889 823018.1196 1403251.845 1225542.453 5080701.94 1331491.94 2051206.721 797236.2692 781459.7409 485523.4839 506332.3053 1013939.228 1317322.112 1638776.601 1470267.096 710104.3086 1171005.536 753089.9103 1098101.509 416726.9636 1278831.146 998141.4766 243649.7288 5005529.936 1112970.156 799563.4569 1487405.547 1170447.63 719020.774 1697237.235 1437191.373 730478.5164 1593635.184 1650034.4 656579.4014 35269.22744 40564.32027 36691.14713 36383.04596 30562.55197 2-hendecenoic acid 44798.30641 3390087.571 5838403.245 4910154.903 6551150.542 11314800.39 7035773.145 13044475.97 7393634.321 7438591.384 3046395.822 5827252.035 8940009.151 4819989.069 12791758.13 4652664.92 2182787.245 8038829.636 7037207.931 6411823.846 10674104.31 7166174.857 12828902.63 7985106.637 10859257.55 5411714.292 5165538.259 6826014.999 5065234.897 7519664.672 5448421.722 9486946.67 7717239.473 9035659.371 5239637.636 4508920.255 8433907.297 4920404.534 6160805.458 8102668.263 8054756.994 4320111.676 9237622.375 4657833.915 3737600.403 6048841.605 7741594.93 4889504.58 5645958.454 5383129.723 6869662.252 4482609.601 8741152.521 7572567.342 7937426.196 9176011.971 9215986.237 6023574.698 4618301.334 4169633.331 12609213.7 12390388.32 7221475.517 7825581.455 4589208.212 4648314.818 5403135.819 11222565.52 8844682.131 9239639.332 6038890.223 6027955.802 5546870.536 6807491.523 9411365.282 3628343.894 8285772.169 11227241.53 4263993.897 4827055.095 6512064.606 8317702.567 5582371.941 4658028.769 3893936.22 8647223.839 6502761.07 3768637.37 5024113.728 2551055.746 7083923.458 2984391.973 2819936.013 5478419.249 5228848.252 42834.27724 44886.03449 5226253.636 5062433.302 5908415.685 3883818.676 10298709.61 4646879.78 4988300.85 7051631.643 6740079.011 5712269.326 8404317.326 12449432.53 7996837.408 3655828.809 10090846.8 7949914.541 9160073.287 5634981.842 6249097.686 5193203.654 12155814.26 11569494.52 6010797.522 9566639.351 8149869.87 11657577.09 10651100.66 4079568.707 12521669.81 8725544.507 9804853.99 10611010.27 5750564.29 7121571.819 14842303.11 5749133.824 5126136.695 9953407.92 2357508.64 6018741.294 6308070.587 11113918.6 5819187.376 11515718.91 7347991.543 8180404.031 9119929.195 3316350.275 5002705.984 1265561.567 6795353.912 10555979.88 5874738.234 4647181.169 4918664.786 11952318.31 6791092.846 6403442.621 4286516.379 6518012.284 10243631.04 4680507.191 9836097.605 9370122.402 10176897.58 6579406.807 11106893.89 6096101.723 11099799.24 14672662.53 9760966.924 5830048.006 5151166.388 3113045.271 42030.77988 76050.92306 45548.79278 37000.41106 61439.96244 2-methyl-2-dodecenoic acid 94104.72857 2100056.928 2387150.455 2069792.67 5304742.533 6455885.764 2012815.908 6130065.109 2947767.68 3177254.722 1443166.074 4524989.859 3713351.037 2341580.105 9034182.217 2095157.82 974525.5587 3837021.885 2654856.203 2244983.643 2528697.229 2143635.076 5908124.766 5881147.434 5942593.462 2304107.772 2083547.511 4138143.776 4001705.474 2948087.246 2055784.104 2770144.66 2932765.703 3438602.393 1339371.012 2362973.745 3071715.884 3752265.675 3245319.809 2431419.251 2124270.164 1891264.36 5218107.648 2733771.811 1278933.317 2368474.207 2765164.192 2276658.535 2443928.349 2181058.78 3317659.587 1866143.476 2632826.11 4581429.641 3817954.404 5682868.112 3012493.154 2149560.993 1657027.405 3296983.215 5350161.824 5787877.899 4131052.105 2808690.868 1813323.087 3602566.297 1424840.297 2024711.084 3645505.162 2662813.916 3849157.877 2663297.159 2364897.331 2554509.653 3490036.052 1528798.474 4206869.135 3297006.558 2212470.752 5946120.174 2550698.45 3004236.978 1610840.855 1112636.533 1858832.851 4926192.148 3417357.22 2517974.119 2579512.913 1265187.833 3619428.281 1706457.118 1106487.395 2232624.498 2168404.003 48426.04481 37636.20652 2053518.288 2190859.293 3329520.681 3014458.32 3145515.509 1644600.129 2660558.741 4467967.422 2527291.573 2160306.844 2536517.392 5004383.428 4638450.12 2026024.423 3860523.968 3023971.507 4868868.218 2212254.056 2520034.263 2060573.298 4721889.326 4948630.025 4828746.579 3737693.47 4778213.603 4531030.362 6781810.062 1713295.339 3654815.434 4996386.882 6424585.287 3966031.7 2125207.129 3165255.581 3241634.861 2426123.527 1627916.792 3595495.051 1578062.154 2657964.613 2519349.633 7988515.18 2897728.99 5639189.89 2307708.911 3240766.143 4910307.307 2499032.517 1777959.097 1104904.843 2745422.105 2442604.008 2521519.262 1970341.984 2135117.115 2851897.479 2217247.083 3793897.529 1892994.519 4344322.035 5660730.599 2188820.445 3598292.176 4268809.795 5739252.649 3203455.441 4553012.343 2177172.252 5184102.95 6395461.175 2852179.139 2423598.318 2179262.341 2084477.406 39982.7184 41515.78513 44162.57637 39848.33902 51771.34169 2,3-Dihydroxybenzoate 657299.5876 40657156.55 31631152.85 35990260.27 2661305.593 37730747.48 11770081.4 97679453.85 58634433.1 7849086.291 76902441.4 17309470.05 80839330.49 15319417.58 34387213.07 20194444.91 63857352.97 78032544.93 12754735.92 16817671.87 4108200.764 14817512.58 25551916.45 10453479.5 73795105.68 29142385.72 38829325.4 17955140.8 12200829.89 146237294 83090625.97 23244995.11 74552319.34 22850630.78 12537638.28 31776301.01 22883879.84 16866476.18 40973674.01 22910572.25 19640910 68312461.64 25622489.41 74001983.85 26864126.53 35360501.76 152074832.8 70437847.09 31041644.67 40945356.13 19037454.11 26675029.73 14462028.9 42922589.23 27242079.67 62433652.71 61448074.5 26473875.69 20268951.4 50313443.59 49942892.33 14919681.42 38798958.23 8264572.346 68224660.94 28121093.64 12133775.7 74497405.94 5870036.663 36523515.41 20412848.17 31604840.39 44132411.12 15108784.46 17539347.21 8258667.848 9338877.479 56397965.89 29822445.93 23664372.06 28032217.27 7852649.128 25391552.06 8527168.013 100126692 7054420.35 31575360.73 10602563.76 48920324.58 25993763.04 44582896.34 52889213.23 11567688.8 28108189.6 39755571.54 585845.6199 526084.8689 28443426.15 37859857.93 22237112 9940996.993 31696218.32 14859404.45 10162063.42 26796913.49 22822401.33 32809261.55 83711422.94 93256964.19 18624124.94 72153791.89 77358814.39 15381544.06 19924496.33 12783622.17 35682499.81 43800462.42 26923003.06 30217733.9 19900304.18 46882701.82 5626023.119 40776118.57 11914873.75 26486360.01 40150828.26 39612871.62 9772305.706 80165311.14 45259674.59 46647089.5 31617255.8 31379449.47 40207887.63 142683276.9 88614913.58 77173509.56 22684709.87 28602179.7 45958604.16 9530981.072 17234595.39 75180658.05 30565769.66 23010382.61 55390045.55 103547781.8 11707557.55 17706615.83 34681105.22 35794881.73 13488474.26 35497764.96 7000760.178 13364582.16 42496454.82 30005893.84 73043174.56 91999298.58 33846831.3 21485842.57 101499575.8 23509630.4 31373446.19 39959467.25 28500204.7 46916325.85 44105354.63 34610853.01 42091819.25 43054367.1 597015.047 552489.7042 444620.2964 434083.3429 571757.5791 2,6-Dimethyl-6-O-beta-D-quinovopyranosyl-7-octadecenoic acid 132460.6782 484338.4398 966481.4763 1189621.504 250732.3965 352463.5537 241661.3885 1141414.002 266189.8937 134693.8145 3111137.171 232391.3886 1048935.725 1099081.774 1437267.469 129657.9341 140701.5874 8148003.586 565177.8228 310371.7298 314312.3561 465131.3893 463539.9944 151458.4785 277384.2283 952620.4201 1284218.391 1003437.003 567979.536 355788.35 2326283.41 120572.9437 250307.2781 1104966.609 239913.7235 231189.7432 725031.8309 137684.0055 341947.6398 554117.5496 174488.0807 2288894.598 246678.0056 9260790.428 773213.1466 117432.0515 167347.7878 1194556.48 1078183.093 1419825.382 148713.8946 388326.7976 441308.3241 307488.1172 308717.6483 146561.62 127106.7373 733106.4405 403845.4966 1488842.038 1080246.502 124575.1373 1090411.147 878375.5659 132282.6635 861542.0964 681161.5633 18411638.81 202923.8532 392562.8622 1248169.247 993744.6815 1315625.621 209946.399 809029.8509 152537.9448 479906.5445 1254153.705 1092809.637 388787.5113 1141905.555 941102.6053 253271.8221 165098.8395 2237087.21 333223.3053 216449.467 297575.6637 169883.5751 143487.2403 366779.1779 166307.2741 346606.3355 930263.0826 1252605.533 159038.2307 189296.6215 848848.5443 1206072.534 183441.2118 203128.2732 326896.2616 134111.0007 521527.2632 696924.6115 2709889.627 147807.1808 722276.5472 273272.1953 628436.0116 394427.683 266292.7932 350499.322 521233.7504 170880.0167 1085401.591 1306835.793 138601.2894 978951.1854 576272.193 453685.4833 140037.2812 606454.3232 1111858.83 274902.7856 387309.3704 205276.5166 883540.5035 153130.3143 896398.1989 359233.0202 284532.7584 1003292.832 1229209.425 146666.3316 817000.6624 939007.4676 445360.7754 172241.6157 292803.4465 631482.3199 1149871.973 737605.6262 138937.6591 156011.3967 604287.851 1835624.045 122875.1746 616038.9127 1008607.126 1195308.559 334170.1445 166520.3765 156548.9234 1316479.983 923771.6687 223691.9273 636498.6531 933057.8655 1023122.873 1172236.45 806394.9852 2621667.524 331862.9198 154872.8653 411750.0279 133193.6044 1087772.103 1043141.382 1249745.305 489861.5364 118989.5864 122805.6524 107881.2543 145404.8827 128535.7304 2'_4'-Dihydroxyacetophenone 430996.4587 511003.4968 2912220.309 3076118.593 1793053.667 2216851.683 1559666.417 2000546.799 9606115.413 1589776.704 11108956.27 2706852.744 1045755.702 5586645.087 1754925.474 3767346.129 1337407.686 5883014.437 9012213.131 780223.0149 687150.5272 1377654.81 950272.4647 777755.9197 1510478.605 2683334.481 2354301.517 3404141.935 1276018.924 2298219.428 1282746.014 806184.652 783281.9896 4521952.026 1132072.358 2226340.224 658975.6559 1466538.088 986301.3534 603626.2896 656435.1794 10778026.35 14818756.7 6316889.109 90217218.27 1071717.73 1284741.825 2890951.39 2751257.825 3761760.634 909249.565 3189696.633 17271799.8 1823164.27 379994.2662 2638113.1 1238819.72 1252501.395 3159496.918 2594148.958 606276.7914 691671.4254 1233753.606 282671.1572 3067069.305 60707501.82 4906786.54 13961009.49 11856179.26 5850933.924 1472066.248 2928415.45 4087694.988 4905327.971 1752551.034 4765354.767 28134937.69 71575195.44 36738418.95 7007991.565 8700769.19 2703146.606 3916362.944 378136.3427 4271818.045 663140.9241 2015630.479 466218.4085 1570964.405 1879797.133 2671162.137 8995983.073 1622498.947 1769657.111 3523249.716 355033.2267 307064.1536 2473829.266 1181665.033 3939747.024 487074.2192 3639726.95 1502959.877 1824876.842 19892558.31 5335540.4 70606970.73 3459414.474 21909498.4 3543144.114 2929675.345 5243310.07 10001464.01 6881039.56 5106857.858 3044303.999 3701401.884 7427452.825 837499.6998 7666561.464 6918224.062 5805391.102 22575952.46 3028336.918 1074566.319 4045359.265 1547413.335 4595019.345 3305023.725 3007678.447 13975601.33 7550087.823 2660858.394 3841003.49 1762403.633 1692526.081 2187159.701 1265439.645 777032.1589 928286.4176 4853389.884 427913.4733 5093990.506 738462.5928 1265735.248 894983.4529 2006076.454 2252598.864 16296518.4 1089861.657 3579666.498 1637356.977 1177344.159 10354081.82 1072731.977 3114429.228 2671251.017 2598585.174 2431668.12 9351924.195 6582642.869 2425297.635 6055102.411 8309164.877 13083927.55 12191954.94 1092418.733 2227037.047 735379.9341 3896532.341 520076.8595 417175.2055 272624.9842 206293.497 254377.4065 378989.6001 2R-amino-4S-hydroxy-5-hexynoic acid 283336.9123 31538408.43 15440330.11 14049221.64 36077831.94 35444034.87 22341667.15 32005661.68 38552043.23 18409603.83 38439440.72 30048299.57 40708721.45 37738213.81 43617783.69 42582782.47 45749154.39 39123806.99 27732750.43 37239260.45 29656525.82 42264263.94 36909625.91 46071050.23 39758801.51 19594434.75 22462790.26 30095681.67 42397729.67 52036144.73 52328712.39 42330287.32 41394342.82 39342761.42 48966645.44 43388663.01 33621608.26 43947764.44 52594425.62 28949590.72 47575182.29 24833691.31 41633451.91 38926823.56 39170006.7 52820912.38 40545583.98 46715929.21 22392756.89 25762084.7 41425522.91 34477518.95 64757475.36 47154069.51 44929413.67 36862892.45 49243896.66 54035221.36 50602233.31 53650434.02 45495062.43 56365069.87 45633407.7 48794350.66 38300803.04 49420887.54 48608783.61 37839001.95 48372013.34 56815373.67 44605883.88 27761891.85 24000716.29 52605755.34 36094531.84 36793555.55 43545988.06 38696255.63 52835834.68 36438503.99 38153311.25 44710837.92 51998775.19 47590783.92 29886951.55 40588925.85 43910387.82 46861584.35 37503484.42 34209295.95 35600103.54 37907641.71 26825452 25218675.47 30525827.31 398256.5354 342940.8658 8845744.717 9431758.041 17216876.63 17927187.52 22502650.16 15402566.94 19141059.79 18734560.87 17453745.7 15399687.88 18430893.02 16231338.61 19343589.28 21830498.04 14446189.2 17713276.28 14314154.85 19842727.16 11817479.26 10400678.31 22573629.32 23745216.43 19229969 18094705.56 24322951.08 16264948.46 13877524.39 27416999.46 21375704.07 14401180.24 18162134.47 23389761.26 19030359.34 16920010.03 21375851.43 10333420.81 12207317.72 27756570.62 18868929.16 26203142.3 27087956.18 23353484.04 17157647.73 24321120.6 18646159.27 21538658.45 22771347.91 20627684.22 20633501.83 26244254.76 20924896.25 29295148.95 13027378.35 11217627.67 31487215.56 32047852.89 18477573.95 22769399.22 18360968.56 20442918.3 29699569.25 19818366.38 23769006.95 12891994.44 19716251.74 14745373.63 18491216.64 25654888.98 17392073.53 23168512.09 25305007.29 11724059.39 11765521.96 18530296.59 396053.8323 337174.038 311159.9948 305146.8825 315991.9596 3-(4-hydroxyphenyl)propanoic acid 330797.6097 3463336.294 4974346.75 4662790.911 5599251.828 1050661.549 945963.6647 4521082.048 2216860.606 688802.4337 3685606.685 2729659.938 3760131.433 3363269.636 3590263.939 3301336.922 1678159.369 5152908.121 915994.4219 3261406.935 3150816.188 2298890.785 3834936.577 2912285.074 3342274.739 5164111.217 4522791.796 3574519.502 2273392.671 2746461.325 8877182.418 2231474.46 11722738.63 6415990.898 4954751.437 4686727.556 3047189.006 2645848.644 5464002.152 2700112.929 2990675.151 2834022.502 3153431.071 4566187.157 2691262.449 5659873.746 3319494.492 5351596.21 5192616.747 5474625.849 5516794.925 8639263.122 2158031.255 2419224.777 1956924.121 4797316.415 5871658.687 6341414.665 3500916.619 7790049.954 5948583.188 3691649.801 7413512.988 2459109.522 2321467.496 2745777.787 2212236.994 6073140.494 2839655.281 3764519.148 3021005.466 4804683.156 5491257.095 6019603.926 2295779.671 5516634.383 5632282.133 4183649.145 4729363.105 4317621.183 927424.6277 3489369.384 3984440.789 10156881.53 5921558.754 1313081.275 2579191.91 6520028.001 4981388.019 28905803.56 5295982.569 4873710.374 1062953.14 4762644.206 5133043.075 372453.5909 322130.8261 4478573.199 4460778.295 3120448.276 2294414.801 3518101.898 4965597.049 2335413.258 3603080.632 2596977.492 2968281.118 2785816.091 2103097.632 3245749.109 5634850.643 8236203.383 3446083.125 1950439.492 3530171.325 5223415.746 4977515.468 12297101.99 3026933.283 2534447.965 2662825.406 4373769.884 5867375.47 3259669.14 5712847.561 6497317.526 2094882.666 2673234.971 3925681.805 3327227.946 4468421.846 3918867.942 5481281.648 5420237.792 6454780.996 20714052.35 6954728.477 2823774.646 3075691.226 5605496.015 2740140.825 4619332.399 4734010.301 2552419.131 3668095.827 2766395.726 6901466.852 3790332.695 3283572.698 5629113.623 4660058.699 5945471.924 7273667.311 4131099.943 2313689.052 3717214.61 3780292.655 9828791.661 8340797.729 7558271.177 4135529.403 7464238.044 3048855.26 4363582.276 3501480.015 2508604.662 5378541.203 4423074.468 6098624.641 5787228.533 4226900.552 437644.6812 319899.5699 275966.6452 298800.4417 397585.4281 3-(4-Methoxyphenyl)propyl hydrogen sulfate 183695.8364 8839742.629 11725249.52 12077858.67 8192496.987 32133409.72 5296518.796 10682294.1 2308766.04 4832894.345 16819248.44 5922734.753 12102108.64 1573767.389 13045758.7 16771480.13 9222246.431 3567202.787 174762.6363 2080571.357 2067244.943 18158191.22 184397.912 2448364.843 2369481.658 11368246.12 13497300.44 28845648.4 6772969.634 7415640.173 40460408.81 4903135.595 17365441.56 17385474.75 2660939.957 6157856.054 12553493.44 208935.4095 18630949.84 11459366.51 11577162.15 39095994.85 3047215.733 24130338.43 56648103.76 36909775.49 7540864.693 12100876.7 12620278.55 14983636.09 18121236.2 13670150.69 3593119.535 6678925.906 2288661.842 35687007.59 12262339.96 17623072.77 23248757.18 11370592 9535001.995 5236285.725 9638465.958 2155466.404 13737440.74 6504757.748 4720995.11 845735.3405 2961831.278 6141770.047 5221641.237 12798922.88 15407811.56 1521175.081 1543263.46 20982021.52 1791913.898 4119591.562 6006193.051 221166.7363 2058649.802 28654106.25 4218965.186 13625671.9 19594209.88 426128.8237 192028.9711 21961801.49 8437848.966 2137083.128 444797.2568 19050681.16 22173065.76 11054372.57 13492484.73 209769.3092 249679.7239 10666554.28 12852400.77 1020494.924 1892020.646 2068531.683 15613930.27 6851021.208 24479268.71 7805907.591 9853734.006 42775870.78 6338599.811 11019658.54 1107681.418 5004036.491 234599.1536 7603520.535 1383135.509 13067365.89 14467423.97 3688954.211 528721.1593 308257.8697 21892785.41 4438497.152 15561023.08 13868935.45 7453778.942 10528598.43 3474166.153 1507246.54 7358585.762 218241.7025 20367346.98 2597032.727 11447014.66 13468351.69 8971186.998 1462629.668 8634845.778 2337507.946 1997612.543 16130335.67 7511659.93 8348307.492 865840.0911 57228851.98 4473384.117 826886.9832 1335969.846 3730633.019 1663179.735 12162797.72 12013369.81 13114629.3 8308217.82 4685085.615 1731543.441 11688471.91 23564066.81 8886262.581 2004300.781 3911470.655 8405758.058 947457.3537 51238306.52 13761261.25 25715362.55 15716163.72 3960248.78 15049670.28 12455656 14035126.47 9225660.175 161744.9049 161979.0207 147077.4745 191787.1046 169536.9173 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 592851.2738 9905276.039 9141100.828 18870143.86 5302511.825 1080669.867 21484316.41 18488266.32 9010086.244 12107755.04 25765522.99 3602007.67 633540.577 21404240.28 16438664.39 4394249.408 9046485.984 30564464.14 3576757.469 8861745.89 55859187.14 3919482.603 16797616.86 2963823.414 20678889.76 8208539.968 18538554.86 630332.9322 629965.3566 17281550.74 5915672.266 6742510.712 2449562.092 11492788.71 4750873.351 15217283.66 7810437.424 8638802.264 1376248.513 1722951.583 11493438.19 815298.8465 8973129.942 643567.7727 17864791.85 48311227.2 11423194.81 6740161.672 8646597.758 19824272.92 1888365.729 3363710.236 631840.0126 26726170.23 1073929.64 20736369 25341143.66 2015276.281 18338631.8 45749450.78 7110823.313 2348348.453 75258037.64 17006839.82 1463753.542 5542738.133 2108286.82 39483374.92 15501164.24 1196600.038 14998687.21 9260875.12 20373177.51 27850010.66 5421797.17 6572577.121 1075125.641 5806964.677 13819842.07 1649910.298 10447602.79 49373164.39 25599646.81 30689099.69 8967796.677 16974477.14 5594439.067 5855090.167 8272170.036 1331779.486 2109708.51 8078878.866 4031249.013 8417383.517 20669749.66 644425.1028 621935.0066 7496232.725 18002948.27 1103246.269 1609010.642 4000588.836 14347140.03 523284.92 3284158.943 16198166.03 30070933.04 5892318.948 4124957.134 3466423.039 14839755.41 1496316.874 12741762.73 1200913.295 11314676.55 7761200.077 18996100.11 1236158.367 9864577.718 2013146.926 1161165.671 1591960.392 37300040.46 11078071.53 2437218.182 26580113.08 3435832.416 20779568.29 8627799.905 152933337.7 5846799.111 35613835 7762586.975 18098299.88 3491272.256 8768556.923 5526460.023 3099853.86 6946892.34 21247530.01 6759846.342 29052756.09 266337386.6 2854370.015 3998328.657 7673656.296 2130920.701 4604160.612 8148869.659 9507292.683 17940589.68 28371022.23 652424.0566 6338937.556 6503615.652 22449945.61 5490394.327 15864058.38 12071764.07 54994921.34 9373139.464 11617729.23 22353421.6 10087971.83 2585956.384 4685352.27 1085025.823 2314751.477 8695421.356 18960778.04 10463466.4 609284.3601 596234.7772 553903.5179 541817.2266 562870.9518 3-Indoleacetic Acid 396607.7247 3823564.122 3842144.67 5038158.633 1812249.731 3708058.281 2746978.086 5367871.785 8347487.257 3552041.006 3094763.461 1545355.046 1994667.794 4332383.569 2594558.959 4491958.854 4160755.131 3453059.778 3305176.746 7567675.418 2573978.85 2591710.769 1892125.305 1877144.29 4618432.605 3683077.557 5616979.75 1760202.561 19102180.72 5386206.862 3531167.422 3741336.518 2468908.579 1137792.237 3626690.565 4719457.15 3651200.2 2936421.641 5609807.128 2613149.145 3630724.322 10419466.76 10737082.11 4400993.4 3937057.206 2493613.519 1201215.547 4665921.765 4265441.054 6122838.298 1784055.482 4311971.337 2530559.079 7493092.404 2859235.627 3084260.829 4058097.848 3805287.289 4712060.552 4170973.203 2446222.469 2656443.36 6370054.772 1126066.373 2751592.966 7659121.232 2085627.118 5052719.125 4064249.238 4992433.775 5409975.593 3710257.107 6247705.074 6254077.498 4085058.272 539628.8542 3158870.992 2927404.297 3524479.544 3018774.042 1427782.937 1805282.411 2825607.491 988444.3345 24011382.59 3201725.567 4323534.443 1608154.554 3068500.073 4250595.118 2369254.295 3387866.142 2093816.048 3987749.275 5942759.145 392164.5359 363155.2388 3510899.613 5635011.349 3695642.44 1194531.153 2329941.123 4244084.388 3145783.98 4651951.736 6247519.548 7602274.816 4430632.559 1636073.236 1900491.794 3316571.027 3346154.263 3603527.728 4498925.803 2605013.49 4099383.954 6160180.64 1994356.744 2289450.694 2153122.208 4474894.812 2437079.318 22477019.22 3757023.501 2673623.249 7375935.3 3008764.127 1240356.31 4718700.391 3079288.931 5168269.259 1950215.033 3925932.453 5825339.537 5234777.985 4718523.744 3806098.872 2825959.104 3229087.328 4167836.945 6097398.786 6364210.357 4570426.394 3470930.629 3793335.387 3845547.102 10294750.11 9823676.502 3313175.436 4200966.133 5244772.034 3577091.883 2689431.695 4571760.709 3693439.255 2120365.399 2814964.895 6848944.209 5090622.892 3006404.474 6136266.857 2050918.13 3126513.924 3344294.521 2909976.986 3858168.107 1755666.164 13128084.52 4011659.654 5806753.48 4169004.24 355596.3895 365357.2596 425409.1487 337888.1507 408024.2584 3-Indolepropionicacid 507969.7005 2577210.814 3295898.591 2826733.126 1723703.533 2123440.151 2345452.341 2022785.118 3042292.711 4702550.471 1876501.268 700916.4845 5453453.345 613305.6415 1882578.389 2968481.286 2327421.07 1139437.103 3096943.87 3134769.283 4086647.788 2871102.214 2913692.291 1203030.255 4152944.25 3146514.535 2858333.93 477352.4254 3379734.156 3107999.528 775257.5035 1758536.949 606670.036 597890.9568 2769799.281 10089864.89 2500490.644 649023.1567 6647959.242 6473631.688 1682178.154 552778.5605 2067460.181 1859626.46 1225837.149 2090386.093 1499451.852 1863312.718 3243294.86 3214289.183 5847937.774 2221037.654 1228968.219 3561631.541 2133141.297 1086198.543 847419.6226 3224186.54 3645271.468 1747843.243 3651545.871 1364132.389 1802787.558 803890.5551 18142845.15 1926771.426 715277.5252 2523764.236 901556.879 879359.9891 2872275.817 3408334.159 3321148.181 2058238.358 1289003.539 595249.5176 2372010.387 1385301.447 4070456.745 561325.8402 5777679.487 4332065.158 1211188.505 864451.8622 3288419.004 2055630.934 1371408.145 1457307.634 2322285.484 861623.795 1690153.295 3960355.802 769828.9236 3029781.91 3275631.311 552159.4385 601515.0248 2956855.096 2801322.442 2628615.774 2604905.11 2628813.97 2202222.691 1872219.703 15150753.32 2944828.002 13472252.05 2317971.195 3215604.003 1754944.089 3750014.759 5665028.868 1147883.937 1970216.637 1824510.974 3373823.525 3110784.694 557578.19 6054077.238 1418670.095 3039084.383 2073708.815 6995127.772 1843495.508 2575115.308 9933722.545 1929393.5 1889893.015 5516659.363 21568380.64 7106442.426 6989172.922 3275839.965 3033780.32 4420122.306 7079020.666 4789597.346 2858742.757 9362950.985 19436169.3 2883276.383 8174319.703 4447666.732 4247665.019 2087900.008 3557155.351 5044148.315 544481.1802 3641296.096 3526570.242 2757530.602 6423108.089 2115086.944 4317386.751 2722709.038 5978960.261 3731479.534 4741385.832 20964972.32 2340792.45 3930136.24 10663499.47 2360940.75 8056467.138 1614752.417 2972386.449 2501623.991 1614461.931 3482256.514 3019660.585 2825665.814 522049.9771 510868.7702 474598.2955 464242.4609 482281.8157 3-Methyl-2-Oxovalerate; Ketoleucine 9347116.107 258901511.4 285399018.6 266546928.1 392177103.3 408831432.3 262182833.7 328912490.3 269356194.4 205115903.1 292102443.1 365818983.7 412711661.2 405507274.3 313442734.6 392976784.8 318918106.4 309843972.9 340864733.2 335411133.6 258267822.5 326292837 295802682.4 409394734.1 373138113.4 296917185.4 312133058.2 285819490.7 281035174 427867903.4 411660050.9 280723853 321762530.6 345347670.7 338232200.1 433085991.5 313967564.7 335720866.6 451262356.8 312479641.9 413621007.2 259156395.9 361786506.5 346895799.8 396930068.3 617264611.6 338071007.7 446117532.7 315121776.2 333935207.9 365666296.6 521851146.8 680502389.5 323368713.9 401937628.8 289225458.7 452567893.7 919829738 483040628.3 550836291.9 333240358.4 499037763.5 255874554.2 280280039.4 250482210.3 325572713.6 375155144.9 375650027.3 350871485.4 567484956.7 288611465.2 302770546.7 338176142 589213416.6 329345156.1 246407534.9 350374520.9 328037853.9 589245698.8 371182572.2 230826925.1 332132509.8 426403096.4 439483854.1 340474384.3 258866127.6 475268481.2 335459263.4 394794313.9 278809232.7 340565961.1 467160167.3 196860805.4 287603135.4 316427101.1 1650867.01 37166867.51 290858097.6 296410332.6 291538888 299998755 411678337 336950242.1 371947394.2 402873289.7 257221712.6 314161850.4 326659261.6 348996794.3 260982126.7 571136025.5 303064765 302334225.3 261184433.1 274190140.8 352792511.4 327635193.7 619313228.1 472233987 353994151.2 269864927.1 445210738.7 383653645.3 306983130.3 456321368.6 457587795.4 248245365.3 361572598.7 352354291.1 347923459.9 357613191.2 381330492.3 325759961.6 341078556 546673446.5 453126518.9 580411887.3 513480764.5 351080987.6 423081707.5 385180766.3 346290040.2 393442416 367285920.9 371914091.7 416946799.9 601482610.4 502434419.2 520701922.7 359398554.6 313037121.9 803272538.3 838424870.9 285156466.4 435206249.3 368846603.9 334339328.5 508860666.5 437510513.9 381957779.9 276473250.6 353149452.3 240580687 354379398.2 380365835.6 286398902.3 418125410.5 647542836.4 347371317.1 345572649.4 304943122.7 2323496.696 2951072.653 1031894.26 1480570.24 2752470.929 3-Methylcrotonylglycine 648562.7669 33453795.14 18809130.67 20882259.31 41789655.1 67812585.77 45596571.58 37823354.24 28729606.96 37283546.04 35849278.36 51100219.83 38879352.7 44175668.29 40723002.16 48345338.85 47157974.64 33743110.92 53791575.48 37297270.35 31848040.16 35336322.52 39700266.92 56478489.43 46966522.85 18395540.09 23101508.8 25386421.76 38907218.8 58376753.94 43447979.24 40657178.65 36301990.21 37621971.65 34846889.4 47250267.95 45906592.44 46796342.95 52177747.96 41076771.54 37735942.56 33586443.23 47278726.06 39598094.93 45201400.5 54085701.49 37526245.61 54771723.12 20708980.4 26971642.81 35339484.68 62156202.7 67714923.6 33458894.03 43507981.96 39609311.3 53649721.07 72574020.38 49890239.43 58359287.52 35977675.58 48599521.35 32567628 31299604.99 25496970.02 49879722.34 44329286.37 32988853.81 44220049.6 69985233.84 32571810.77 28311298.66 22795825.54 51080151.39 36982561.7 26205610.82 43859159.51 47302699.28 52419776 33392085.81 29197767.04 35855462.4 51186974.52 63264894.36 39877305.85 32173939.54 47452792.51 42207422.58 37906418.29 36622951.89 39984874.11 37452394.53 24666837.6 23187419.32 28702942.98 712787.0473 612081.1661 8499207.512 9806439.337 15632768.46 15281993.88 21109727.13 20485532.13 19666810.16 18271332.5 13232858.78 16523163.11 19258714.76 12887202.19 16577892.45 29024697.01 11351683.35 15317394.2 14443130.58 14402453.61 10998574.43 11795113.94 28044753.71 21266547.04 17018036.85 15686171.57 21167526.13 14080170.91 17931724.2 22638290.87 22296930.79 9713296.4 19106835.59 19937308.64 17294999.82 16673401.28 14976415.13 8876089.927 11580398.23 19567309.22 19891404.79 21454252.46 28973927.95 15942664.97 16787906.11 15816455.09 18049722.43 16510372.93 17583746.28 15311950.73 19346916.07 29004740.96 20696470.17 20713807.94 10894780.12 9662265.955 32849977.83 35784483.82 12432090.43 17044691.41 12014596.78 13428291.61 24645326.76 17659786.26 16977471.81 11960209.44 16088943.86 6403682.776 14262314.78 17606821.88 12417082.91 19165249.46 25573980.81 9417600.826 10507626.39 10694216.98 598412.8464 628306.0137 549031.189 602846.4758 596660.5199 3-Methylindole 476888.4606 729897.0158 668564.2581 974410.8546 1230624.475 559948.1281 1433608.211 1365625.298 987523.74 767616.287 508048.0128 438830.5433 415393.7212 2659763.633 1247532.47 1499092.891 1054132.901 1204290.021 1190547.099 2392818.832 375541.3204 906841.8204 1403586.557 727708.0132 2023094.17 612151.0798 1078836.023 1357520.967 1142479.592 3182378.872 434392.347 718550.8131 1058253.553 490316.7442 2162684.483 427365.6266 1746590.855 1430045.991 1661480.506 1418437.19 2072624.021 2555431.314 586766.2879 1568532.3 846773.9962 565624.8525 463183.4824 1317826.431 677602.9344 1159524.447 1470681.335 578677.8624 508250.9295 2150443.123 1563743.67 2289105.296 1061295.407 396344.3916 2919487.424 480458.1158 573587.8769 507282.789 2520709.335 434363.9823 2062383.275 1146699.44 1220362.751 426012.0029 1186911.519 537196.941 4316749.181 732456.0789 1139419.152 4679786.515 1229956.011 432734.7257 481187.2729 763271.2255 317605.5113 526979.8879 997598.7412 656032.7863 1567743.636 561358.3483 474890.8887 1043581.638 1230324.977 518064.9332 1793017.366 468706.907 1522808.584 2154110.819 1475028.771 655104.4346 1194275.02 518374.3526 500283.3611 620732.7521 1084809.307 1403645.678 457243.4161 444039.6731 458610.3122 1585323.754 940709.074 1586103.192 1261723.551 769115.1021 478402.5759 925268.6687 510851.4569 472249.9579 1886035.301 894513.217 1014001.139 829967.8532 1242196.466 505242.5513 522948.8074 677137.6626 1180364.039 844307.4879 641018.8539 1266543.465 1048419.553 1518688.512 690610.1884 742113.2282 1602055.847 1128098.462 2234959.931 804717.1433 674756.3649 1142566.824 430557.0162 416632.1845 1274455.337 1494048.27 1156105.188 685654.9982 657407.9351 449017.981 1680993.605 1184325.172 1505938.169 1331222.032 1454733.907 459781.3755 2501217.462 767435.5501 1071342.402 460825.0764 517786.5198 1856184.459 2509838.302 1486570.599 1710710.046 1076607.225 1242120.159 437953.4483 2542494.524 449828.2162 2010640.765 1218960.557 488568.0171 1669308.343 475096.6506 1057473.027 769827.9811 1256352.902 881447.8746 490107.2046 479610.1444 445558.9582 435836.768 452772.3454 3-Oxododecanoicacid 340013.9722 2056929.471 2442839.079 2230719.78 3445739.958 5433342.357 2713268.777 4905085.381 2622676.172 3300050.553 1395834.032 5243404.262 3380661.987 1431393.65 5193741.681 1772374.132 3611151.837 1764909.608 2374786.55 2827293.538 2561167.359 1558812.599 3677001.192 5193246.099 3416129.49 2046568.076 2172785.007 3353655.118 3618612.693 2902015.365 1050780.503 2152919.521 2201487.036 2184557.897 2028281.15 2098403.192 2214517.132 3963635.512 5207414.515 3235495.73 2456915.903 2278987.47 3349357.015 2955184.44 1787531.505 2394275.019 2194884.354 2382834.519 2231646.368 2437310.554 2416356.544 2268243.392 3636796.662 2147963.648 2897497.987 3380845.535 3247653.65 4925972.721 1816243.343 1988561.14 3327196.934 8049773.307 2941891.295 3931472.158 1675391.554 3783125.59 2642598.79 3228378.494 2402332.4 2130332.412 2969201.478 2150037.883 2385868.796 2235566.232 2590755.449 1679527.765 3143714.893 1409173.825 3079854.372 3167439.431 2674083.125 3153342.352 1649158.38 989534.7805 2082471.213 3973360.322 4075247.914 4080150.956 3716153.008 1534249.776 6241155.961 1903117.877 1679131.023 2009354.594 2138604.548 80696.94601 128045.9561 1927164.443 2103390.76 1885190.616 3579256.457 6031670.369 2771486.658 1498156.36 2020975.812 2338316.811 1996777.428 1787887.816 6876367.151 3896244.208 3324535.44 2772273.701 2161300.35 4303833.817 1967109.376 2484618.597 2426050.996 2985344.3 3524440.254 4326841.116 2160643.215 4295080.25 5409021.46 2793309.727 1706546.67 3873518.176 2204763.665 4885580.22 2238851.049 3666609.712 2706028.352 3322608.806 2230469.523 2243794.313 2475632.539 949622.1505 1877913.685 2420836.698 3444232.696 2832794.331 7336566.248 1753120.505 3433920.642 3085066.412 2166004.235 1811887.407 2641658.681 3679493.438 4002320.318 2314656.603 1746715.257 1951724.292 4244023.273 2207427.487 3721449.495 998444.1544 2047653.806 4500708.398 1656884.885 7198952.188 3821484.244 3402168.917 2989720.242 2672610.975 2078939.082 4783567.539 4098335.46 3437984.398 2360535.379 2277591.232 1672271.244 192357.5373 50235.21796 51972.29566 101508.4579 127096.9528 3,5-dichloro-4-hydroxy-benzoic acid 67191.63434 6367637.634 6232055.863 5816183.981 1519183.085 2846148.853 3887697.221 1217836.624 636983.4488 2587187.325 2637067.666 2560938.718 4657297.217 804217.8373 2532521.504 2635251.905 553547.1328 886792.0136 1004291.497 896509.0751 4993162.015 817716.8959 2094999.691 661519.7389 3135186.873 5984104.36 6273142.299 4126136.145 598801.5553 434712.5435 7174853.954 443076.0593 5602736.128 1883393.07 1131495.573 2105692.702 16558455.31 604481.1799 852068.1069 5140237.518 2642593.719 2523262.027 2586817.59 1336440.499 9229251.395 987309.7867 3801525.611 1941957.803 6286050.266 6902256.642 1976743.605 1699824.375 1884253.806 581129.8524 950669.9292 1767416.563 1496426.553 5463715.179 991482.6325 6754456.484 2640204.118 710518.1331 502652.4757 1488979.956 1293068.521 4845708.222 1552599.809 1158042.557 5180849.584 3226896.437 3059398.603 6128355.321 7041785.763 4301278.827 8131502.264 1737585.295 973402.7479 6476609.74 9556253.516 2558843.055 1245102.788 4014896.73 6581536.643 1140899.546 2023535.885 6364392.136 4001155.23 2799766.76 1660877.52 498776.4057 570264.019 4911915.287 1310715.241 5660251.778 6430578.99 72936.0511 69290.48979 5713333.843 6203818.153 3279808.412 4472886 2658129.207 2493290.127 460728.3334 745064.5791 5195115.127 11540085.61 1408214.737 2460231.934 2291573.975 7214121.475 1613742.395 2406982.567 20750714.25 1860934.175 7093321.648 7248246.292 3356128.464 1686179.041 425026.4174 10728017.83 326159.0647 2421144.133 23459543.2 982537.1374 940187.7871 3813066.215 38354171.91 650068.5197 9294193.714 27484337.4 15958230.28 6326456.512 6684450.988 10417707.35 7106152.53 3595818.859 664730.8034 1816392.872 4452660.497 6437604.758 5825997.845 1471203.419 443915.3702 1184079.465 3158810.219 2759161.497 666922.2788 1627014.846 6715552.519 6373354.585 596422.3406 8602848.701 2114295.951 1089999.238 1091732.703 2163224.498 2864534.587 1938242.463 13799769.88 34122321.89 865475.9682 2353034.363 2486524.561 873866.5204 4890891.643 2635263.861 17068882.88 6925679.672 6981907.797 6683402.246 64430.5706 75074.73572 51225.86499 73781.24423 63459.2826 4-Formyl-2-methoxyphenyl hydrogen sulfate 635667.3362 3890578.993 3398442.42 1980834.897 773512.0917 1159981.71 190121534 18208325.2 13175932.32 2212508.316 7488760.202 22461741.5 1687947.774 543990.1865 660570.3474 572237.0854 2291658.282 7946210.298 18593395.98 624231.9031 7425302.366 3226154.689 534582.717 620326.2167 666242.5943 3233514.005 2367720.687 672033.3554 830345.6116 2409840.777 590265.1771 657777.1991 23955800.74 9554190.288 700085.0229 601307.0347 628992.1064 630907.2763 719246.5832 284310.3366 651340.0588 2102623.764 49959107.41 8708287.606 85955340.62 674510.9455 668526.694 582779.8493 4072960.932 2783976.907 614890.882 44939013.03 7436762.029 789444.023 649798.1146 718781.6145 618652.676 633764.224 637272.5096 28283700.85 763709.2169 638572.1208 678591.0746 691115.6857 1585730.926 118716891.5 9250058.808 17804263.74 20788353.1 5275965.541 624661.6971 3771467.382 2755263.654 562983.7819 2068737.907 11904139.86 869435.7958 2173391.81 60744474.44 5475129.985 19920156.84 3018705.673 740829.2495 54895875.84 1980792.702 839465.0337 2337310.177 9677967.122 12828650.56 762303.3621 730214.9357 5544399.841 560070.8482 3345800.704 2366775.951 713378.2892 713985.2016 3116270.914 2192395.078 13930932.21 25626823.53 2550961.51 705422.386 7789529.588 20173037.21 5434769.259 41706085.61 21118832.99 9577009.849 16332241.82 720402.9165 4652807.192 51430275.51 1497286.644 156807584.5 4179548.438 2619815.958 1365437.175 711543.5362 140377454.2 12343377.61 746258.8495 46535793.27 6921219.65 64505.622 8015272.947 27986509.24 1637331.237 1218655.208 12357004.86 31486235.34 8715070.082 3426636.698 2413473.757 642611.2418 6746802.172 12132795.31 656646.3396 2959926.993 10816255.49 31945516.16 57339861.52 20220470.74 530758.7318 660492.6006 1571154.29 577399.3464 2726926.022 994193.5138 3795916.994 2170957.844 6052665.274 2649684.418 11749491.65 580383.9044 2711504.142 23507659.5 17994063.24 590383.7375 5270024.631 25808341.6 627255.1566 4172676.818 5413683.644 810338.6241 14441402.57 6345893.088 8090207.561 3815283.31 2552539.012 4432912.498 601518.5002 577162.3892 537557.5006 522299.2882 575082.6941 4-phenolsulfonic acid 312328.7723 78245056.89 75536780.13 80274587.41 20650071.45 61131596.88 213452061.2 80714653.34 107389850.8 60959402.48 162401475.6 277090719.6 25331203.33 123278934.7 57688909.38 68396859.63 20997370.88 611465171.4 388186589.3 96235559.5 109275146.2 23412162.21 36015120.7 22851621.38 46672889.59 74571150.11 86257797.11 246874605.8 174648036.7 162927584.8 32412849.48 34961251.38 466404191 485639991.9 31675557.41 81599735.76 82716812.02 117113390.1 32243682.62 44520548.04 44169697.81 84772454.73 533236171.3 40280467.71 163726280 353361689.9 36377457.35 122681825.7 85046027.64 103549309.7 48313952.74 104435942.4 130920624.6 220497352.9 359730736.9 852086441.2 1018598104 81218853.67 244264466.1 94540153.83 598587576.6 84556433.21 116876176.9 168274551.8 26917063.76 291486943.8 38234628.44 114208011.1 67956355.16 100088782.8 147156140.4 81416832.07 99559347.87 114786975.8 157262309.3 381631581.9 55102572.55 35683925.78 46286947.76 706478109.9 255795934.4 79857304.89 184753055.9 286293283.9 41588750.45 73201709.22 62264290.65 268297705.6 195450322.5 165291756.6 180594595.4 101432575.9 116078924.3 77073681.22 95637456.9 605818.1368 450887.4678 72117821.48 86921710.16 39411826.74 95118084.93 112105193.1 603026252.4 484922554.8 46885230.42 33163077.41 83249767.84 217330061.5 44750984.22 13874244.41 105739068.1 52115876.01 71889936.81 156461488.3 31469066.61 98098995.91 104607260.4 19824957.36 38498926.35 47284702.45 73395681.26 118893226.2 24289416.24 90633463.45 110193504.6 25256855.19 42635539.32 8355266.887 102476788.5 125141959.5 19178211.1 96048814.99 82607444.81 95045891.65 88525525.59 152903305.3 58490432.75 31528936.14 31836862.12 29425354.99 16875859.69 48745573.03 48432042.65 201523152.7 16990478.39 112642937.9 128129810.3 122815109.6 81989089.69 88300243.44 84230711.03 45994667.58 59875112 94737022.18 182766659.4 147187204.1 38185793.97 84678752.91 94848433.19 59042566.42 115883679.7 127799706.1 24895537.6 40639290.13 33401378.34 81028692.17 69853600.64 273671972.8 89052105.2 100330959 89627210.4 553963.2814 323576.6024 346822.897 299350.1613 346846.2199 4-Pyridoxate 221485.225 4510044.867 5985833.754 10229665.67 4558325.3 664331.1754 2434620.914 1949414.183 16675332.78 2971522.71 29434603.65 263603.7727 2581026.761 17637582.76 1571375.554 4968148.186 12064419.66 8155423.888 2709016.437 2014816.288 5105629.804 2678385.238 2861603.257 3030720.921 10464294.25 7183566.396 13673374.35 1608190.3 1618748.743 5490637.625 3389153.199 19571260.6 22907025.78 1475515.118 3352455.146 3987168.01 1338705.186 2837555.8 3271123.07 1546816.866 2033552.329 13839756.51 8340936.728 8213847.433 3593869.258 3111526.349 11927792.01 2454364.341 6896183.264 14333859.94 1767083.269 2626050.965 1670788.73 8055188.187 36640843.94 20015331.84 18213413.61 5160388.506 3577455.148 2929183.312 2185732.916 2719526.469 3079933.574 1774940.635 3905735.143 1830245.59 2683044.723 8823840.187 6481153.676 5503968.346 3859069.569 6349033.929 12830035.26 2297282.319 45500210.53 1982660.191 2006425.721 1761274.097 2161676.298 13724252.37 2081601.072 5159713.815 2564511.012 1218565.145 928973.9192 1613347.785 5980557.446 1072780.205 984121.9563 10467174.22 1489883.961 1438861.715 2637611.549 6516686.092 12853291.01 329480.5695 313749.2313 7580935.632 13958768.2 2285588.432 2598363.094 3447500.36 15455510.03 12760618.41 4609353.132 1900945.501 5954338.453 10450096.28 8770888.589 2541875.748 3411427.295 5221510.706 2049925.862 22790435 6581887.038 8639239.308 15736501.75 2326181.157 41939464.69 2542002.709 3967799.191 3013810.662 4768524.648 4292790.375 4615493.381 5334804.804 5156207.319 1415400.061 4539757.571 25768559.76 2848562.627 2771591.83 8022479.272 15541186.4 4481832.149 6034471.749 4162985.723 3117841.693 1894205.569 3749671.352 2252935.893 4454001.273 13041060.45 26235784.27 3784697.101 28885633.22 5619870.75 120287343.3 3933031.959 8354796.688 13587908.34 8824026.014 3564476.963 1512894.372 22601625.28 4628865.053 2991284.575 12828648.14 12651012.18 2665539.057 2956359.163 2591853.708 2959205.266 9238080.406 2812409.76 13389905.33 2380859.57 5877747.695 7989051.968 14897789.47 6341746.29 226797.6129 308473.2845 259717.0185 279172.3279 289094.256 4-vinylphenol sulfate 963917.289 11370683.73 8330264.491 10956808.48 996983.2792 1038506.686 1335308.605 6127510.301 1012446.48 3557017.845 4433565.505 912743.3912 6147996.879 2841705.692 7913045.082 4665281.546 2607513.882 1833220.147 21059224.85 2990964.678 1381660.644 9200501.675 2941365.961 1815638.298 7383474.802 8359025.632 12755263.44 1135621.523 939650.692 2220837.446 4726547.778 4570309.984 38266851.5 20992304.98 2298687.46 5897323.753 6853417.753 5841432.204 27154389.88 1099911.541 911427.7888 10181940.28 4116930.334 1063418.823 1580255.015 20795696.9 11983443.71 3214549.173 9640609.561 15630169.28 28470356.41 26453704.27 1006097.505 18636703.14 995342.6987 8144778.439 4692419.643 1672739.862 70682630.17 7372043.727 955933.4506 948562.0945 3135122.26 2548868.163 1559803.217 925510.7578 867878.4098 7746828.768 1008443.11 45913614.55 3701247.259 9869000.81 14492123.31 931286.0586 3569325.26 4838970.112 1843954.386 3372087.457 859430.2434 3642282.812 16131667.56 933329.1808 3640313.935 3108957.937 6400163.018 6627304.742 1343917.092 2438140.384 17175109.21 27141526.56 1190805.452 18830704.06 1066771.861 8256694.049 11880407.71 942428.4714 998939.1317 7691716.13 11333332.9 21482141.28 955913.3397 880848.218 6699401.66 1253582.542 2172177.617 1548237.598 5035309.578 17469689.16 1105768.424 6179508.224 2975850.433 1484481.355 1239258.508 2080845.684 1293797.882 9286940.692 12613945.48 33602801.8 11364520.42 5844054.899 9842761.047 2284508.788 1106135.961 3266027.006 2286547.137 2429663.394 1300307.263 1020096.326 17497317.34 5515120.321 4948765.685 1035225.27 7917672.377 11611361.8 31621220.52 12358185.21 2219827.396 4442663.427 915994.7175 5888668.054 1259542.561 6791416.271 31270352.44 9292707.686 1823067.636 4095702.862 28539045.58 1218400.922 951321.9082 9360527.947 11407913.18 3824517.045 17570039.64 945033.9992 32858069.69 1447426.448 916911.3796 5463361.575 10898720.51 840957.7382 2371282.723 8793302.105 3439833.438 10208643.41 3826217.55 1808071.445 4748791.359 2184281.427 9508961.979 13415170.14 13197805.49 875723.9786 871184.0951 950612.9076 1021748.073 835888.7109 5-((5Z,8Z,11Z,14Z)-heptadeca-5,8,11,14-tetraen-1-yl)resorcinol 163041.6325 2293902025 765275.6403 761762.7133 3417977.504 1128184.943 941852.2667 6901439.932 2891411.109 2025017.565 10453895.92 693740.0266 5536762.659 15831055.83 16765468.05 2112987.839 374412.3222 264241.3033 1022589.223 4755825.636 12827435.15 6201091.436 3220524.079 4776138.154 14721312.05 668611.5008 747843.9719 3228242.388 2283914.364 1166226.507 7999521.915 1033685.824 2888031.603 2881652.473 3592603.685 10534292.23 2408804.115 2137193.784 5119280.253 3276512.811 1366722.61 2053492.297 621965.0839 592613.0298 2274324.323 1433711.425 4578120.239 507123.1 752779.207 824013.6084 2368218.203 1867897.523 2451167.851 3777231.564 3924366.688 2189850.451 18558166.12 463600.3989 3176016.912 4332310.133 2569228.983 1888702.087 3586088.339 1029552.296 2332848.858 4104323.94 5005718.028 794114.1691 3698713.306 2626186.442 1908631.156 751206.5696 825871.0857 437785.1636 431940.4961 3533135.422 6351813.846 228500.2647 1890324.005 5471814.09 6185509.965 3455285.456 1231934.109 1907834.184 3084503.113 6252351.151 1764815.088 5683474.155 407146.1216 4070451.51 4751059.614 4920903.439 1276323.254 708532.305 774620.6792 88998.3553 48157.53498 706708.8183 795002.4309 5467626.565 10945852.03 4439577.787 8367074.888 1843385.952 1902877.716 3614252.696 30333266.23 3295213.464 1740806.157 17975666.82 1316370.071 9289728.004 7438656.165 2416625.287 730410.6694 719062.5821 839529.3575 4996643.611 17969875.94 2727948.744 1292648.019 24603836.54 780254.731 7696362.878 1480421.072 6739925.822 1627744.551 7591770.175 4499515.884 4772729.466 3158037.634 3186096.17 680982.937 793081.3343 2337763.141 4380144.288 2809807.039 2875984.417 1940112.756 3671903.08 2558157.516 4531367.615 6838534.126 2984168.392 7135098.623 1424967.01 4767759.274 4784723.061 5482347.669 722860.1537 759250.8276 4513879.111 3288526.031 2891484.376 3851078.141 3451195.123 1414826.034 2743901.113 1921932.933 4832472.286 507407.6877 4519726.321 12137574.96 12403703.2 4807460.007 2792648.4 1045745.161 3649742.761 720798.2601 805107.3811 2614920714 1282668.282 412351.4929 162525.7552 112828.3332 133521.9809 5-oxo-6E,8Z-tetradecadienoic acid 39301.19454 3648011.741 3146487.729 3400517.219 3989756.23 3740678.045 3722545.83 9031343.939 1991999.04 2389053.388 3053477.86 4474549.195 4484819.055 3553559.865 3952416.01 2682865.902 3142218.214 3685493.51 1261790.546 2805666.563 8488767.689 3689227.158 5157770.224 5123096.563 3590220.865 2939689.307 3463328.576 2877151.667 2865092.742 1986197.909 2940238.566 3458523.099 1883219.685 2542263.733 1773020.969 4759856.63 2261713.047 2159944.52 2273352.21 2939155.87 5072538.38 3696438.165 2681574.148 3604730.578 1599483.618 5514993.081 2964565.149 2050563.396 3197664.871 3779270.928 4505030.183 2072750.237 3726541.536 2543913.127 2009271.004 3593126.053 2129231.768 3179751.422 3699924.259 6799258.253 3423795.33 4542070.678 4686533.806 4711393.615 2742886.043 3086920.969 3518592.71 5288755.329 2906901.276 2896782.066 2206723.224 3264978.705 3812125.476 4463633.483 2372520.162 2047477.356 1925075.988 3321558.754 3346439.825 3519883.781 3261299.398 5451692.082 3801647.033 1492373.205 2626583.753 2989970.982 1787969.727 3387999.775 4701502.061 1309526.535 3060631.613 6257132.724 1220297.086 2906325.211 3432918.211 55383.92837 75822.42969 2944426.731 3299096.488 3713936.91 3478548.365 4880783.045 4032794.176 1812581.235 3299181.699 4786081.263 3326438.915 2566922.254 631778.7668 3331823.903 4727864.058 3625647.522 1927593.925 2011083.786 4436637.936 3663501.843 3725531.404 3123354.276 4808261.444 1849758.076 6352478.356 2519706.287 6064923.658 4104079.483 2145218.197 4598603.102 2262575.278 4042237.984 4254578.64 6392699.525 4236688.456 3805162.452 2929568.181 3268361.176 3280644.975 3120359.843 2410843.868 1555975.034 4497810.83 6370301.619 4786899.27 4581070.087 6174116.783 3608371.582 1226637.039 1968231.896 1695463.275 1744780.585 2869865.421 3257094.292 3111539.47 4035981.151 3838367.192 4271338.039 1258248.424 2671095.528 2599618.288 7952084.529 7949340.089 9138511.053 3290843.236 10345106.49 4320196.344 4673782.659 2474475.7 2648734.512 4925121.328 2601446.267 3324637.709 3690509.182 3557347.51 49082.15045 37577.28339 90713.61422 31829.07384 70708.4162 5-sulfooxymethylfurfural 487102.4152 13088563.59 18058799.29 20410251.38 920351.1574 72884995.19 124659719.6 2865905.47 862652.1076 20859217.82 134897267.4 4357995.517 13558493.48 2594059.876 23758465.91 85004279.47 2129050.202 734579.0681 633764.6105 814590.1072 180652231 129407407 17331265.99 158489.7679 21349951.95 17698356.85 21803606.89 362990.6653 334159.8189 5722846.095 10038853.33 307606.3506 24319247.76 3710586.835 1992503.956 79615681.81 60940543.34 4676152.459 6973964.403 20414173.36 389979.2329 4247510.218 4482462.992 6078593.503 10975991.41 19779353.19 19265251.16 95770733.52 19254246.85 24778267.26 7361829.028 12209430.02 450070.1184 865163.4623 3065731.902 6015385.937 14301606.71 690082.1417 2643333.785 16535461.99 48676947.71 499377.1113 626311.303 5603452.794 17853937.87 3300524.567 2759175.908 39680654.58 1413423.63 80336124.19 448447.6569 18458984.93 23320900.83 443856.6603 8483096.227 12400670.45 96413408.59 12185758.98 8994546.351 82893371.48 14129219.3 3559630.035 2832882.583 12268173.83 10324376.16 717236.4338 8587194.871 12155921.38 2005028.002 45707098.04 138628804.9 511815.6429 486788.0236 17256510.62 22624521.05 498203.7819 493094.9143 16770037.47 20515609.83 520243.741 3125895.835 341851.8737 8102027.976 433829.8534 138672105 3348006.826 42941175.61 2369825.846 18961178.92 2504588.588 8381373.039 79453443.29 363416.4965 25819849.6 452627.4972 22174645.51 25179793.16 83385632.9 21521936.54 43370317.14 3391006.01 388829.6259 980765.0971 369668.728 1506480.798 4218336.057 4244569.085 43424441.12 2959781.215 31828420.54 80821538.93 6697439.38 17821757.85 22218892.53 15373937.01 43385109 8544931.98 100428128.7 692378.0861 23362586.62 47890203.55 2315486.965 825314.6542 92661124.04 1171683.676 2294955.052 19339260.45 499027.4167 363569.5741 18626582.46 19364521.47 97984511.63 419596.4203 385931.4528 655434.4292 64610373.74 6286526.197 19162038.17 5968771.532 10841731.04 2257128.666 283130957.4 10636353.69 2488972.543 6378196.575 453867.2394 3755373.689 20088848.73 18669767.84 23089431.07 13268296.68 358646.7484 343112.72 323145.7409 327372.244 375999.8041 5alpha-androstane-3alpha-ol-17-one sulfate 33528.39637 31079745.04 43664855.89 21233712.66 9087239.466 13715318.7 2708661.972 1435416.813 6045176.493 12635363.77 18095461.64 27968079.03 21931058.29 38294528.76 36665716.95 21438874.25 5741446.042 1183300.246 32684847.17 14354377.83 24016939.56 1264228.636 18528325.36 20880971.77 22737638.11 42263021.8 22603981.21 8303590.726 28977581.28 36075196.07 8267173.866 11052604.02 3424441.106 7872386.526 35283658.68 38216948.05 26438407.28 33040850.41 77690450.73 24123669.56 23884515.9 22064080.11 51657122.97 74547883.53 21087009.51 61917949.43 25683642.36 15710755.41 43024583.7 25173500.25 50499928.74 11524699.52 74325660.14 14997609.45 32050155.62 55882720.36 71094137.74 18898897.64 47643491.23 7141554.572 88190390.79 36625002.96 32419270.79 5297763.362 1241879.396 5894075.577 28650411.05 17957480.48 12284109.05 10875738.99 31135728.21 44955799.37 27115003.67 118571060.3 25804827.57 2054683.648 9695795.564 26027463.3 78276872.53 6848954.742 1832952.578 27062981.81 10497752.48 6323840.248 5495167.208 16941998.82 12054446.07 2854102.504 26798095.16 13594662.05 39138861.1 14125178.89 8410011.377 41635963.32 24290812.99 29447.93591 27638.08974 39715989.41 23430177.08 9335484.341 24279174.9 138237119.1 8772790.099 39997814.61 31544781.6 23002837.67 18669219.66 14096520.59 12944577.85 11961331.49 40513417.05 35544887.56 5051220.098 22428508.64 20250568.51 50194523.99 26806217.28 14367510.76 14490614.22 34358256.41 12545791.59 33719092.31 891995.7028 26122129.99 26492136.06 3605106.58 27773742.39 19725326.95 34639890.82 18781310.4 17115107.21 46122026.15 42781614.26 23285610.95 47074925.12 41812888.8 43014811.57 1158152.419 28023569.69 52661291 33368208.3 21657647.75 21780395.93 28805410.44 9631650.356 70952173.98 49081713.98 59648272.49 81203750.38 46742065.93 21128096.46 38020158.06 53574228.35 26627324.06 8832595.585 19763009.5 6317801.31 70091811.1 39913917.82 28630012.54 8733486.9 53248938.85 15944263.33 33880529.57 2454485.034 59256406.31 102682302.9 68567740.44 45772977.51 25034498.59 32897338.64 30056.80353 32178.95498 32331.15755 25739.34836 30450.44919 5alpha-Dihydrotestosterone sulfate 51951.2712 7033941.127 8785794.167 4120599.009 3391736.063 2754711.271 1304884.555 552528.3554 2898343.344 1189246.191 2806695.875 6005795.26 11052856.09 1734700.132 3601028.866 6518657.449 1598650.3 573385.3412 1460145.926 2132025.518 3647184.176 2593531.201 2133721.009 8192585.292 2170247.355 8951002.797 4483083.683 4442910.43 2093031.922 2185142.272 2741730.258 1457619.859 1137021.149 1868246.406 4789314.91 12588834.58 1528225.494 6492254.739 4597574.829 1805241.774 2385692.746 1874813.661 11067136.01 3635181.73 6168050.481 9998712.878 5236289.01 4963517.025 9260800.701 5298070.908 8185961.215 13934163.95 31051154.27 767221.9196 2458844.923 6588174.795 9532767.09 1552374.833 3280356.86 2107649.591 10264196.86 9923238.062 1568406.519 4174647.982 2613795.211 1626850.067 4054878.557 5993026.1 2469479.28 1544645.542 1199067.551 10181080.59 5008450.876 7908426.295 5319116.276 1988147.089 3488026.332 8407506.465 25408081.36 2291526.021 1538159.297 2376453.286 5096925.776 3549585.118 4330224.709 1757158.762 2510508.307 2814574.675 4697944.557 3154070.507 6180392.539 3026910.624 1100077.011 8576479.266 4731370.791 55475.46893 66076.40568 8816506.12 4511926.754 1361898.035 4779168.201 17717606.94 5239436.036 4896314.661 1788378.327 5006944.004 1119119.73 1468278.484 6306218.084 1986937.533 9606062.195 4284838.097 1809703.617 5023904.413 2477907.813 10262407.89 5060398.643 3349452.388 6107667.639 3645872.827 5645892.736 7626053.71 141110.0483 4791423.814 3844145.155 2526454.238 1399132.624 7085550.994 4496286.496 2557162.38 3094219.642 6675957.34 8760776.79 4374384.903 9707171.756 31278788.72 9520535.868 738024.6078 6097137.503 3633867.2 4775955.025 2953861.646 3058905.034 2734601.168 3080715.715 4843454.958 17087089.57 8206460.585 8501827.887 9691565.573 3916062.63 4970279.564 7808869.745 1795712.747 2175092.151 2582145.619 4598977.429 8383243.007 9981450.391 2684044.456 2789159.415 7387477.611 5081073.657 8900631.03 2094570.219 4949238.989 7274439.042 4659825.016 9441811.497 4807193.228 6774316.687 53708.04097 41342.74073 47555.08711 44520.31794 41135.09259 7-heptadecynoic acid 59920.44983 4462656.856 9118669.041 10543482.46 3514280.726 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1046848.585 892851.2055 1668692.578 2341650.229 1542798.733 1467999.653 1882880.836 1530816.777 1102364.965 2060660.213 1878588.197 1136323.702 1589346.415 1760530.5 1089998.128 1633780.182 4168810.276 1613134.724 677729.9365 1290879.608 991782.6198 3597454.315 1347305.875 1801423.405 2072873.33 1679727.083 1676304.319 1594044.44 1604347.776 820286.2231 687903.3486 1635111.242 1891069.003 1431035.876 4553690.326 1765580.886 1737795.958 1315809.864 1414820.823 1090502.231 1097220.762 1449005.658 2221012.762 2413773.417 1577732.605 1347082.639 2862906.295 1558131.937 2348084.668 1224378.972 2096827.695 1622824.878 2056662.917 3938854.594 2726469.901 1856344.298 1753148.021 2324854.66 1712499.06 2248397.593 2231255.715 2037870.966 1868609.354 1787441.567 901214.6626 153260.6179 161392.5281 154553.6378 148934.4548 125527.4557 Alepric acid 40704.87591 8186306.782 15289046.53 13760196.81 8776605.392 20389675.86 13848429.33 16471140.6 11239123.46 14793151.21 5240220.079 28277583 16885103.87 2976067.594 19055681.04 5923626.5 6329722.04 5500877.754 10667736.62 15122757.03 10998780.95 9736125.517 12221490.36 29510465.3 14293747.53 14082717.01 15270760.99 28796171.26 18158297.65 16620098.36 3303847.384 8317346.993 5064335.675 14680026.46 9752965.646 22473999 8424137.42 16027689.48 24103875.3 14702634.12 11901733.36 8522797.668 35834583.81 14017658.02 7621673.998 10007270.9 9426055.55 8832753.826 15810742.91 16151586.61 8411792.29 4819880.098 15101135.31 9911146.329 7745339.005 11030423.64 8741188.561 14387645.23 7995562.969 7564450.971 17102077.95 44519536.07 15581851.9 36529183.21 9038078.351 15241150.99 9761845.439 8312135.637 7932581.314 9987557.779 12983909.31 16247451.99 16791242.13 12906296.93 5847188.984 4604505.526 13772045 3003614.345 16015802.31 15339605.76 22987084.95 13616766.44 7926992.504 6291848.003 6223250.509 19031401.6 9782317.718 24153512.77 19979598.26 4962659.366 21533850.46 8671478.063 6731950.028 14520700.2 15759045.89 33144.28663 36054.57748 14409297.99 14131905.72 5600256.546 38822053.62 18152086.32 13967828.08 4422154.092 9155736.507 12727474.46 6956560.723 9529181.44 26032243.26 26533653.44 11987271.97 5552915.194 17124344.56 18711477.83 11007641.85 17053618.56 16480636.43 11652754.59 15220155.01 22054735.42 8203853.095 17996831.14 39970180.88 18352537.65 5371942.29 11081066.99 21695833.03 68940610.17 14678394.3 10585165.55 18122313.39 20298256.55 15633105.2 15382747.16 7828387.625 2081429.996 3546407.013 12427730.92 26129339.08 10588348.23 51119233.99 7816024.215 12118782.57 10563259.71 7720802.648 7456128.157 9343756.269 14433021.59 15591789.36 16783184.26 13657060.28 7798767.667 14209461.6 8096825.839 13263301.76 5153919.066 17683065.43 9929450.232 3313642.2 39595631.5 26645687.89 8816691.647 16961606.54 22690859.25 8403524.914 20428500.05 22847372.08 10834129.11 16038950.01 15635330.6 8698205.235 45896.67148 37360.32238 39742.18686 35859.77688 34231.61693 alpha-Ketoglutaric acid 232886.329 23578648.32 147397818.1 129807895.9 27404582.09 25382488.54 33679080.58 69141732.07 33151897.23 36590845 34324389.91 41849993.75 27206480.23 24604821.04 48341102.11 24789713.05 66153733.84 64097865.5 31124484.76 26624360.21 29479972.38 34746618.97 34372460.69 30234957.02 43891997.93 110338942.3 106247423.2 20438260.63 20573114.29 37286455.32 25216138.89 57123221.48 37888288.19 22890043.01 24486387.5 27602675.77 26321600.69 38590341.19 25871691.23 21689260.42 30955123.73 36522641.75 30088377.26 32858408.58 23303751.81 40722735.76 29682650.35 35986841.59 124880567.2 107303202.5 16140376.75 27254656.59 44719524.04 31675592.2 35435783.27 29720634.67 33932929.62 39836175.46 28678156.2 33751647.88 35678928.31 18787343.54 19849852.24 33677675.55 29898987.56 29230017.1 22536698.16 37594407.81 26140257.41 47325689.01 23841201.19 114041361.2 85652034.5 21335619.78 54941156.38 18651569.13 17175714.64 44327268.66 31309814.55 25261047.17 36909903.2 27370772 37326627.7 41610321.2 30472939.42 30779461.53 41743007.57 22507181.31 20397038.42 19449009.43 12553614.94 34582126.12 21437318.12 95767891.63 101854950.3 244405.4692 54686.75971 114332268 109151526.7 23763747.17 26368281.71 29880153.17 15204068.83 28943546.12 18807972.68 17630872.84 31219710.34 34547370.14 47967435.77 20244202.62 22474212.65 35118578.51 25296043.43 25402430.87 20012970.75 98469513.15 108926556.7 26665053.76 35151755.56 24008535.02 22788589.09 19085166.48 34600534.53 31519726.35 16072312.34 32289197.45 29547243.48 26478239.23 25050776.44 30447096.85 32280278.32 21455866.77 100610614.4 114720803.3 22637340.64 28499300.94 16098181.58 22677761.28 19411566.72 21719497.18 24819818.9 19377734.46 32616804.87 21966192.71 20139678.34 31014100.06 17696723.55 32771748.67 29274553.78 115986386.4 107889539.7 24812398.32 25405176.73 24071273.34 28059121.45 15539841.29 22218624.33 21005774.71 21189297.41 25030636.09 25403841.99 22218333.2 18331424.11 21937845.43 23228406.94 28423011.64 18594579.46 27664709.57 98525892.73 89540494.83 20797307.2 370536.5866 232243.2211 589628.4948 330300.2408 420442.6241 Alpha-ketoisovaleric acid 2970636.157 114851216.1 58553453.76 54751630.1 132751882.1 134845116.1 86221759.85 117102207.8 134653775.8 71131073.33 139383785 115266145.3 146021950 133598937.9 152776001.2 157118754.5 168790328.7 140673349.9 106112986.6 130623668.2 110065938.6 156523163.6 134442295.1 170921899.7 146655411.2 71938184.11 79681085.37 109960721.2 146373807.3 194360263.6 188372691.4 152401332.1 149386568.3 140420533.1 171065320.8 156936467.5 129876882.4 161362836.2 191121851.4 111537326 199850863.9 91968480.83 147871634 144223324.5 145071111.8 233239275.3 145408569.7 173158542.5 103505814.1 93595554.41 145959734.1 126592965.9 232709866.7 193461833.2 160771381.5 127287232.3 176657579 206380876.5 180176097.6 189679353.7 194898135 201589668.2 187660038.1 170529370.8 136622185.5 173305381.3 173407752 136055339.4 194778321.5 202187188.7 152582051.1 100164320.1 113099797.2 234912610.5 132626337.8 156862507.3 156037041 168824184.1 188833479.3 149600346.8 134506165.9 155922958.4 179293794.1 170741561.8 107168551.8 143320588.3 202927911.5 167565794.9 134483967 137852040.4 150467943.6 162719209.2 114741157.8 113574227.8 129481868.6 2475377.265 3236580.968 34140198.31 37806663.09 65576452.05 68351329.12 87550824.4 64328932 74340241.81 65469435.82 62385518.92 61335662.34 71237208.6 63461731.62 69389373.01 87686609.65 51638950.75 67410602.66 55893620.8 72292049.87 45417218.63 43218331.05 88937090.31 87436067.51 68805041.42 68832594.9 88112603.24 58967584.57 55227772.32 98889735.21 82114501.32 52240928.72 67547172.49 84877839.44 73531958 63932617.46 82019978.58 39851594.7 44602300.87 98480400.54 68946514.48 93599912.71 98169943.84 84601836.12 63874016.99 88053287.28 67296100.99 77252199.12 80472618.66 73495618.31 73361359.65 94702714.78 74324067.62 106731485.4 49246061.87 41618679 163828013 118094002.8 67001967.61 81654723.49 96251968.26 74282558.56 106004676.9 93206490.19 84560010.75 68586505.5 72806115.29 79140145.34 98429748.21 125777033.4 85519667.65 83438109.62 126575483.9 68236044.38 64327541.66 84370112.53 1974673.453 1847482.27 865490.8411 1814231.096 42200497.44 Androsterone 3-glucuronide 46053.14857 1224154.661 1756080.674 982305.6228 1009645.679 438853.1316 454824.6855 79283.73849 1086033.066 381886.0364 1387630.292 717903.6782 1639617.188 1079075.558 2289367.576 2299943.603 843898.859 213292.0649 860406.3502 401203.6044 1241780.766 626720.7006 810367.4055 1407563.082 1039738.526 1666505.9 1139709.307 740571.733 673482.2831 1589313.717 1034922.503 934879.475 859935.338 343881.2653 1076227.2 1958251.979 787643.9299 1623131.73 1549457.378 901811.7919 815251.5781 1074623.509 1563678.347 1897798.656 2727789.55 2317058.107 1404289.548 1017060.764 1866117.299 1215264.833 1974040.63 2584763.951 2609983.906 473918.9099 1612577.904 2347874.663 2919248.298 432999.457 1603262.805 1351932.64 3488824.564 1591790.082 875676.4694 647426.0723 563246.0715 311480.0888 793518.6391 1422339.707 823590.2981 436808.6774 913668.5748 1902685.451 1130675.82 2246393.111 2166798.834 517836.2901 1390931.017 1506029.458 3697492.262 891789.9623 389983.1189 955366.6508 1252199.185 259537.6669 1293187.367 657532.2452 809794.1475 427203.2614 1519743.802 1798076.8 891651.9944 846602.8724 332776.6122 618293.036 1061395.2 58198.70421 69320.03034 1637302.591 1053183.696 370529.3082 1027237.445 2225564.289 1957254.881 3591207.188 1055867.912 956296.9879 1232232.142 579068.3707 536365.0654 793399.8109 2297446.258 1689204.801 676491.4287 757042.5347 679985.1067 1902328.255 1182083.223 256653.8574 2285032.996 846865.2284 1444521.231 3346268.089 56015.07901 1204530.059 1794634.375 522126.2217 569910.8609 1267189.278 2628416.941 890874.5863 1129887.982 1874620.063 1728263.108 1097032.904 2756547.675 1154072.778 3340847.459 234946.7153 1974787.849 1556537.716 1303954.314 1599178.38 1690479.881 1791720.68 388353.3516 2642246.191 1041407.83 2037724.287 2191104 1984701.844 991246.9538 1753852.477 771370.9702 1139155.125 437039.6876 1821861.519 974870.0821 980505.4626 2500840.846 547153.5694 736334.6291 612931.0804 795451.4421 1800303.718 391988.3988 1665496.852 2926619.533 868423.4784 1777015.261 1114773.931 1223746.9 56344.51498 45051.76948 46213.6909 58255.2027 43154.37313 Anisole 695812.6556 5998427.88 5028865.781 7091251.767 3682812.789 8603557.77 15967875.84 32210215.05 7134299.626 8175116.058 9631532.378 841278.7039 3353999.207 17264105.18 6106243.888 14922155.39 16645382.3 27170653.6 11883102.76 12880502.2 3775022.495 7322557.202 9457078.125 5781396.459 13979106.92 4700411.451 7624135.492 818595.2835 25559169.25 14370562.32 7521745.055 15638530.66 13213607.93 901186.086 12669517.84 1165053.203 12967201.24 5499685.076 4906653.541 11335225.66 14056145.53 17829490.31 5597670.671 15453798.86 16376239.39 5572184.956 669334.4857 10747296.15 5604374.86 8712738.928 6869120.272 8630743.267 7801320.377 16894128.05 5918606.647 9116038.117 3562143.188 14548715.04 13017615.9 1161579.023 3478057.896 3225458.311 8079140.6 1662660.91 2861905.794 4467617.229 1194319.135 2476423.385 6657012 5604909.08 26068577.25 5209151.346 8598381.483 17774370.25 8756423.982 5934162.998 941337.6734 6380194.581 1621792.108 699810.7116 13927987.6 7325299.614 6594144.902 2632486.504 1273030.098 7568972.448 5150920.025 3422043.424 5512516.933 2034458.935 6434057.218 19814134.92 2712312.325 4778921.316 7810762.104 659156.8192 623544.8649 4713896.586 7391719.99 19392544.13 677923.9944 671704.7804 11532019.23 11392476.68 14337450.67 14058539.52 7209606.059 22317680.76 1828229.763 13968832.36 8164434.195 3095593.84 15079125.96 16072616.23 12296883.82 5808384.149 8731323.5 5146654.071 15040755.86 8204428.493 15178580.19 2449733.364 9314774.861 13483521.15 9750982.929 8414703.009 5749825.13 5495994.243 12837493.19 6736430.654 11132546.61 3595516.501 5058896.766 8083047.746 1961222.755 1484242.599 11718254.38 10635079.97 11131378.42 9585747.52 6510606.711 5111069.34 16200154.17 11606188.89 9909537.992 16049168.44 10039388.36 1038385.404 9471084.928 5482783.631 7211918.482 3079925.712 2916538.353 10011041.71 19355534.08 6586085.816 12886401.54 7868273.062 3966010.646 830463.8104 14751969.62 5940810.364 6365787.194 4164543.055 5978777.118 10920492.34 6988805.617 16602185.26 5531121.889 8687681.682 6757861.817 544646.5664 642705.3261 630424.0908 683859.5632 666258.8458 Arachidic acid 3345435.15 16026821.41 16794867.45 15093995.68 35439189.35 47235379.95 15086725.14 23551923.93 10762892.73 14269334.75 5749817.701 12167988.23 25348991.47 4098678.129 24390494.51 9152151.226 4805738.212 12183439.03 6566968.391 5888879.163 9788942.178 11558750.71 36842242.49 15053320.4 40314094.38 13282357.28 14751323.58 10440693.08 8937007.648 13257749.75 18664530.51 21293377.83 14116319.7 8966169.616 4933047.317 7353774.108 7199633.073 14043438.14 8390556.715 7054745.558 15775396.09 8002803.337 20286388.78 6287773.042 8596481.621 19517855.39 11976348.94 13529183.11 17158528.01 15767274.86 13068006.69 9914915.628 24866440.39 19135422.39 9317237.028 19093909.05 16436518.47 17943610.19 15071362.83 8854930.583 15641937.14 17481711.57 16495964.05 12311896.23 8883587.532 7316240.804 8445191.886 12443363.44 11285060.59 27516090.05 18125449.14 14665344.6 18311010.19 14827341.57 20115978.91 6906042.097 10743022.08 14138270.67 19047814.28 27142756.54 11126020.7 8257578.684 11891739.43 11237499.54 16805237.13 29304195.79 25625049.46 6391073.9 13504034.28 8911008.519 16974882.76 8177569.066 6940510.378 13583852.54 14173911.68 3871174.545 4766520.114 16322821.98 16919741.55 25713740.79 25741595.51 21367403.32 13764340.19 5328225.59 27189031.33 19293608.1 15251480.36 15989016.22 45146432.21 23503326.57 15895162.82 24903233.76 7763277.701 10784871.78 28182875.82 18705597.16 17115267.36 32226481.2 47878030.24 11106592.94 50946136.92 8917429.789 29915293.84 21408307.24 22196141.17 51879254.67 23716530.08 18438905.95 35863707.38 22812828.48 15876241.85 15836297.92 15002568.12 15569885.73 20064508.7 18852866.53 12962979.79 15662277.37 30572544.33 33252907.87 24409972.19 14121593.02 45186747.62 37405121.82 8776493.46 19562087.27 7797725.706 14210950.19 21300835.06 17790955.97 14440937 13779762.87 18401859.67 9695958.994 9671672.075 17328405.42 12963561.64 65071366.72 19530694.65 8104399.024 16414366.14 28358433.62 13414561.22 46363223.27 12727070.87 22196102.22 42876697.41 9663251.895 17769065.58 17532419.86 15092195.95 2802997.514 3013473.93 2318599.133 4964381.475 1888006.891 Beta-Alanine 1090561.206 10782995.34 20146513.35 23940427.96 18989102.92 24688725.64 11733524.41 19734535.01 13907996.08 17468784.69 23136015.88 9758573.122 20404298.03 18473343.91 17409910.66 4565016.447 32105440.77 23616318.69 18639766.74 23516148.39 17284191.15 18360306.23 5035034.92 20501279.52 13444891.98 16042584.31 28876825.88 12826544.99 12907895.48 13271448.18 21391102.34 14140364.97 21473718.13 17184292.52 16167187.13 23497569.38 21060167.62 10406475.11 14217307.2 17123472.92 12679745.31 12405596.47 15827476.51 15891515.01 16179935.64 12889581.98 14502385.48 32926881.82 4179468.003 30384158.02 18443022.34 14675370.76 16489616.34 14844368.92 13172340.43 21725342.34 19524973 23223604.13 15427801.1 21479058.29 17072955.7 23078116.5 21953081.5 17173909.01 14550583.28 16429023.16 14553787.21 26810749.07 14492537.25 11678991.63 16136375.65 25985503.86 25617954.46 20957556.32 13099328.17 17921486.44 16605182.6 21257250.63 14728026.53 14593075.81 13327812.85 5860243.336 18456397.46 24318885.75 27779612.91 11922802.21 12378404.27 21465736.13 15781498.74 24722668.31 11147774.84 14045302.56 9779195.295 23857447.52 26048056.61 1429386.999 1148030.247 23849214.44 19972393.08 18502198.94 14901165.32 9190960.331 16627333.02 12873819.99 13716229.84 7195699.985 14682756.72 14536431.25 10359953.27 12904164.47 7974918.962 14609591.45 15817915.89 8087143.456 17065687.24 21861587.19 24322890.44 8653713.246 11963029.07 15634303.66 13920256.83 15898179.35 13575162.13 10829188.34 15621023.33 9412191.483 10797145.76 15045454.22 13485379.82 11887151.85 14751112.27 10249265.93 21909420.07 9366294.369 21472864.68 11482331.25 21149611.56 11707177.84 6481970.336 13883495.67 12860277.85 8736440.56 10814178.48 14104973.93 22114561.62 17181406.43 13886322.77 12422486.56 13024574.19 23856175.69 22836734.05 24547415.01 23123640.17 15079639.35 20452465.08 14720954.12 10464697.28 15580277.17 17293129.65 22253845.56 16900812.69 10696531.33 10258221.02 13187008.1 18747382.83 12518361.63 11653444.75 17169892.83 17804037.88 25921212.33 16088784.52 1178131.16 1199205.282 1132282.438 1155202.414 1176345.921 Cholate 44719.11611 1893299.796 1454470.612 2170703.874 849544.7097 366231.8082 94391.01879 66120311.39 4618836.738 173309.6919 8514572.201 966120.5294 305651.7628 381005.5365 231228.6252 18621216.05 1680807.682 7518464.786 354993.4032 465343.4374 16398649.69 911788.4042 188797.4595 583931.8284 351511.7062 1274163.868 2433792.533 371088.5664 2250792.629 1221747.42 6793813.847 1988214.241 4893535.993 1496843.051 1129867.336 1397434.775 2539497.037 479438.6949 92383.62586 1845356.775 1028023.038 4261533.728 5617866.92 5885279.898 6311146.431 2626347.111 1093938.621 4972518.162 1361888.625 2515417.549 682831.5895 5570660.586 611538.9813 8068242.951 464988.7602 332643.4405 268937.4128 144309.6954 14137605.86 1740713.303 652682.1134 1024345.675 10714825.86 1869800.263 732774.1549 9706455.927 147773.7611 1970798.16 3650653.641 4635963.872 317897.9661 1411245.061 2624165.4 26197025.67 184597.5449 330969.5433 557302.7327 350863.8921 5034182.946 960284.9999 7354668.621 1419969.33 2023675.233 195236.3426 2746817.113 215783.6378 251690.6868 288116.3266 97804887.09 8440513.001 23414767.59 3476666.4 1055992.204 1311909.206 2402238.861 53390.48437 32721.0151 1097063.786 2294531.014 270296.8578 154688.0301 551102.7963 820684.5128 311448.9971 256220.6704 11126788.74 141307.8065 93880.38585 154061.6438 751911.3401 12488590.21 12531673.74 1977889.071 615151.4909 117583.616 1523654.321 2572066.042 19662294.92 105712.2423 183051.0957 1048607.023 178535.977 346726.608 806713.6528 200815.7522 64451.67547 381013.9917 520684.4412 332474.1883 29544.73169 889036.7157 117593.8501 1244121.715 2509522.29 581654.1582 1277580.466 9380947.549 2152566.793 442643.2207 920647.0616 1628123.631 5322700.232 274857.9164 18150354.86 11289263.48 37651606.81 643904.2425 510296.1678 531869.4978 1491597.104 2212533.602 529941.376 391315.1234 66203.78935 1278895.513 732145.349 280482.2503 191308.8069 4664481.238 1039792.798 9425304.633 1258417.355 2976914.902 1070230.269 2244392.515 401071.3947 73377.73434 1174930.554 1417524.037 2505649.276 1956510.081 31811.53551 28295.21381 34385.76274 36505.73052 44861.09057 Creatinine 952779.7157 39198864.52 45076502.23 36003404.73 49466896.81 37893327.17 33437503.23 44734407.9 37478402.42 34434775.16 70496170.94 48093765.73 47627912.28 46876694.13 59749799.01 86010387.09 57984682.8 61629446.35 39620152.61 38811181.02 42605371.66 37653143.38 45597927.58 51573794.09 44209500.8 49099643.63 46377443.24 102631758.3 41043912.35 53051146.43 43356837.2 49841105.27 53175461.79 39452339.34 26658286.8 37595864.39 48712581.11 34230413.03 55905801.39 47267548.6 38271143.12 45675609.49 51897525.51 66612852.65 39249452.54 82440486.23 44530293.48 45485293.15 46641965.42 55799545.17 52711229.53 42762259.33 32889176.04 32972029.02 47798238.68 71398934.15 66775860.91 48670182.68 42387721.15 44643667.75 57724076.36 31179067.9 52882619.78 34206762.1 39256727 41617945.18 38869178.31 82693056.6 68433966.52 26212380.59 110321283.2 42925483.48 54879686.51 45705569.58 41693006.96 41518536.36 72512802.76 44941900.25 37908879.29 51359283.71 33013474.67 47864798.78 45418540.79 44735510.58 53698601.06 36509490.92 42404917.15 42473748.38 43688120.09 59809605.56 34059085.09 58687083.42 38334229.98 33008114.19 49214510.06 1116033.671 1243222.442 38569311.69 43315177.64 35375609.24 31860832.29 49761771.36 59866383.32 39640389.82 41326630.29 31042712.27 43029724.15 31450982.55 39929499.09 47995891.57 40217864.52 45206821.51 44170484.77 50129069.56 45618180.51 49915066.02 54622350.07 20117744.53 42481529.29 37226199.71 41773289.07 40812576.07 50798861.78 39003382.18 47198987.89 41553513.9 40116757.92 41163390.57 42675676.82 58204686.51 44825041.8 48252234.26 42458075.15 31406039.92 53241254.65 58030540.1 70073544.87 35522581.83 43850282 28868026.23 37581726.57 64731460.06 46550288.64 41604680.34 40872431.37 89675441.81 75072686.93 44513720.8 41199670.42 44895720.04 45368219.07 42401968.64 29385259.42 44021276.94 43688775.28 61458249.18 47968170.63 44140339.08 48908063.37 42027999.41 29321506.33 30866741.25 36971321.78 48097950.17 39832548.56 53666986.46 40214656.2 48119830.53 31491051.84 55710269.49 41985598.67 1116947.494 1007239.058 1148087.538 905328.2488 1031287.346 D-Arabinonate 20498570.47 19394865.8 20864687.02 24015429.91 27280066.57 774945073.2 526281296 33955418.99 28401078.1 926387082.4 65366100.45 716350895.2 37623256.67 57964739.08 37763981.02 54686544.88 117726074.2 53578993.59 293506054 81440354.11 305550015.8 55458536.44 58686156.74 76703848.34 62355789.7 97212763.98 90631607.25 87571358.95 65052288.94 326991838.8 64845723.25 79897521.36 75997587.44 72462087.34 76107435.27 77417586.42 623174218.9 222273150.1 85043061.01 766925656.7 78677907.45 365527464.9 136640413.3 96435263.68 95190515.2 122799465.4 88218223.05 526422576.7 99781563.5 151940602.7 307240426.3 120240446.4 116354524.1 109439610.2 112898997.4 510988701.5 202499031.1 429030713 113676775.5 116010624.7 140415035.9 132509780.7 122321079.4 137264265.7 137469007.5 587088702.6 134159627.2 155102115.2 139918375.9 975026544 152921678.7 941321608.7 170837521.2 160558451.1 178087856.5 136328052.7 321494056.1 140784758 161720061.4 159504456.8 423649251.7 732674214.5 370463714.5 911825066.4 631620613.3 168963772.8 178698563.1 745193797.3 551625796 212964384.1 154121145.9 168815057.7 156734915.6 588871547.4 890019905.3 137129929 225569223 74165700.01 73995637.37 75817249.63 65964989.12 69704371.15 69250165.54 69326031.23 66878234.1 75804058.27 76302463.74 112588864.2 90355987.51 91137300.68 898134308.4 98620042.38 104741666.7 109404368.3 102636477.4 110419912.2 107762508.9 259606455.2 107866973.6 120088102.8 127894839.4 111275386.8 98558879.64 1176038400 491465975.7 774838106.1 123687291.1 835153226 144043033.9 142619420.9 131314506.4 1094164176 384065641.1 170109595.1 152530866.1 92239711 119708556.8 144913044.3 141135371.9 133399575.8 155875946 151914538.2 147856538.9 148789930.1 252891523.9 1006207395 147057357.1 151723757.2 154701802.2 177128744.4 174324340.1 187134568.5 174692613.3 61732387.58 666932300.2 182771032.2 172586278.9 168819692.4 173851690.4 199708841.3 169204340.9 200759633.3 422283067 173759428.2 178140129.7 207624076.5 811933171.6 183231438.8 200375851.3 200919610.9 175387568.7 100975526.6 89233925.01 88639311.59 106583713.9 103117818.9 D-erythro-Sphingosine1-phosphate 43330.29641 1945761.508 4917334.318 4227939.481 3142942.146 2567925.144 2516503.516 5497671.838 3495970.164 2913865.4 2064015.195 2383437.97 3444432.582 1766862.508 2599138.65 3326537.303 2258419.612 3554674.06 2177825.539 2764779.219 2103688.596 2346681.63 2810788.464 2368918.591 1831577.645 4406184.907 4094634.533 4777434.692 2743085.758 1928281.602 3626120.933 1537236.025 1875426.707 4058504.86 2885241.936 2544407.623 4313076.032 2063087.005 2291599.622 2330406.081 2120268.201 1903482.636 1927953.15 2738480.362 1274154.821 1941660.207 1761331.475 1313381.98 4425605.683 3812741.502 2430219.697 3371909.733 2006312.54 2148441.039 1788006.958 2534881.901 2618923.877 3329976.01 1612505.911 2287832.255 2097620.661 3048842.302 2545836.959 2129043.272 2651452.244 2781092.201 1980187.835 3143469.223 1829239.258 2320620.77 2450478.452 4669488.209 4215569.44 2169644.413 1847969.774 1624962.237 1601032.176 1756879.748 1864294.34 4037821.078 2073234.407 2841241.12 1141113.754 3804707.569 2866436.955 951530.2994 2332381.295 2100751.464 1864158.94 1668778.868 2339463.745 1719223.682 2770107.049 3691826.458 1698506.348 43041.18512 42181.18796 3427516.837 3336296.998 1493014.469 2589425.723 2358560.286 1602180.59 2954547.802 1613941.209 3262267.303 2886288.862 1889467.821 1462808.553 747812.4184 2453167.76 1960679.838 4228443.855 3128646.963 2241429.527 3340382.844 3601039.36 2314085.837 1192435.763 1262133.707 2107395.798 3115073.714 2276879.251 2697550.292 1494330.718 1425432.003 897721.4761 1940517.069 2748196.905 2283683.267 1973904.885 1497643.408 3724417.813 3397468.208 1926469.744 2435505.505 1790252.827 2241288.208 2263035.171 1497698.234 1153639.967 1465350.245 1769962.621 1051895.628 2490605.049 1718523.51 1729926.564 2251632.587 1899578.708 4017003.603 2646059.595 2569728.228 2005775.356 2133991.278 1853403.674 1506193.063 856720.0237 1741779.277 2065571.104 1661858.096 2618559.297 2556532.656 1444603.808 1891187.362 2347101.509 3668424.072 2240024.049 1727868.274 4123097.662 4281593.511 2102745.168 42634.81435 45581.47891 43934.55927 46575.927 41594.98246 Decanoicacid 4379277.622 10258987.76 16840245.79 17238362.72 13884353.7 13725325.52 8955493.179 26766418.75 10258270.69 11838569.49 7371495.697 11013590.34 13499901.67 6106699.91 10720111.57 7937607.591 7811892.488 9771079.83 7687534.161 9129726.691 9020755.703 9893072.443 10024003.54 12200407.42 15360715.98 15269413.93 17804111.63 15960955.58 7402923.225 9794344.246 11274047.47 8050735.587 6456375.745 14314689.94 6126447.001 7630412.766 9791726.683 9817554.023 10507407.96 11735874.45 8999319.696 7149652.677 9024958.696 8250419.286 7149268.593 11248222.16 7907162.317 8510295.482 15887361.37 18444087.83 10039643.32 6619915.584 10194950.87 10577436.91 7429090.901 10144510.71 8797521.278 11534577.52 8302237.039 8428082.89 12608480.49 15175413.14 11986939.95 12998680.6 8998588.278 8893735.617 7553809.401 7800224.499 9333733.77 10115233.42 8839426.38 17147920.59 19429638.52 9003290.418 7482367.591 5579457.696 8390116.759 10252116.22 12102231.44 13507724.55 33085672.12 10123794.45 9043205.157 10822263.04 13015765.96 12193002 8462402.074 12838425.84 11332103.64 6384076.855 9650783.384 9845706.032 6383777.469 16114021.35 19496066.02 4923528.83 5949777.413 15383242.68 17668963.63 7628400.877 10855277.47 9292873.464 8342819.459 6365211.697 10420254.67 8759559.537 9005217.756 8446102.166 19327261.9 10895275.24 8970639.603 7476352.586 11329429.59 10468334.59 10078211.95 16800294 19074738.84 29381942.58 17581716.05 9527090.642 12829422.61 11612422.96 13778449.33 13776628.44 10892908.33 15304642.49 15852271.86 25696497.68 12322886.99 6770998.668 9790446.003 10672393.94 16377113.93 17677081.03 5972788.306 12147897.4 6086500.566 7806176.59 12244333.57 10515046.88 17871363.83 6595397.602 16302308.51 24981136 9203633.098 8597512.977 7308536.956 23084666.29 11534800.21 16904786.21 16800204.09 5899684.617 9446792.423 7077961.266 10741583.56 7183775.918 18399768.4 14739791.89 16923975.6 11724461.88 11834726.36 9407349.142 8627474.583 16626307.03 6420904.423 12052949.19 18482981.47 8089921.214 16948008 18485883.83 9551183.691 4573614.843 4097069.576 3880107.818 2850903.377 3975267.735 Deoxycholic Acid1 54138.23475 3761611.259 2237575.357 2218059.099 1330433.016 1289300.715 3786777.945 11684486.68 570590.8866 6445920.26 2409154.552 600642.2497 1466810.774 1332353.059 1915129.957 465105.3596 2594739.39 4234278.726 4331503.222 558791.5712 2667723.919 361922.2178 151824.9387 2505443.76 317315.0999 1875413.906 2378713.927 4896180.463 403907.2747 4771853.717 1062053.149 1117375.307 3122517.641 613709.6653 862309.3883 3920284.784 375063.7318 5150974.231 562964.4828 526024.6766 1405026.623 3634162.256 10178761.19 3452690.789 6738083.417 2207823.817 2445177.744 9895263.223 2130353.908 2582469.089 366704.2223 803021.9011 2946769.612 627607.4518 2794084.46 3493397.497 2963565.145 1179871.067 2383113.359 257618.9249 3570620.606 6152110.67 2363352.888 8802118.736 1175641.347 464158.4788 330657.0554 2714123.245 313448.2887 3362796.798 488589.7266 2145790.197 2616298.751 1393020.856 18768897.59 777307.094 5367341.359 1061333.778 2214260.613 433876.613 6501828.864 840224.0067 827596.1195 83746.43143 31207690.19 244338.1044 18998370.07 8572158.927 1475901.817 856816.4918 3103858.156 295097.4815 554062.4945 1983884.012 2603314.929 64636.03997 45598.53543 1798047.883 2320338.302 1433388.344 9946635.004 754274.7714 17289202.07 5398926.186 1233781.232 1786908.438 239656.3397 328395.8143 2335569.074 3600235.404 21533891.22 482537.2577 531967.1419 471585.6357 5568784.032 2123740.252 2659506.092 292308.8348 406141.4147 2229008.134 5258949.241 1423758.372 886485.7773 18273598.55 1420201.008 54637.7611 1408898.52 2640178.668 1150581.821 519645.0488 567443.5105 195533.4673 2072416.205 2464103.895 1955539.376 12334314.52 763653.5705 4020484.648 782751.2182 255770.1592 832277.0553 296138.3995 3097386.996 558633.393 1941837.877 1170168.876 1363860.46 5343620.676 408007.6252 2232373.834 2225707.581 6112450.067 326696.8457 584652.9296 335620.0167 1684527.22 825901.5422 3466210.692 980924.9056 5463141.415 1035740.201 218825.3682 6527668.916 572416.116 12607906.93 11347964.5 901371.2895 71736.576 2164701.314 2522176.208 4035664.152 49863.48856 40237.03146 41628.38305 44194.87638 54310.11307 Deoxycholic Acid2 53255.26576 3478170.641 1537941.189 2200217.862 953636.5527 2514550.99 1946469.376 26227096.28 1284905.503 1037384.03 2190723.82 3713476.774 3333404.779 1325409.447 992829.8285 3969546.367 13556027.95 5575379.105 2271582.373 2616852.73 3267240.758 1863090.468 1446320.758 1195826.514 3945966.348 1723472.339 3167998.278 1052288.379 8358488.878 2899992.437 3229474.681 4516070.985 10898977.54 343336.3531 2843436.768 2210226.451 684875.0361 3529001.76 2026067.745 1003817.522 2408909.534 3164398.798 7934917.644 4904668.73 6483967.301 2207354.569 676306.9805 7830948.29 1452332.693 3092902.886 2177778.479 5364440.449 6248871.593 3672330.754 3588378.797 8609136.259 6316101.903 1575128.02 8052070.222 702692.7663 1726207.136 5551852.27 4439881.809 6175892.463 6877510.773 4523073.402 1768109.007 6433534.762 1038242.367 3329821.796 2285436.229 1427751.324 3219013.375 3604928.463 2889622.97 507728.1638 2056303.564 6233866.956 2823483.401 210108.5324 4995816.487 3044141.605 2620605.729 41028.8338 8452757.855 931106.4978 3609438.454 5874472.224 7215252.835 1338353.571 6756146.674 2474967.778 3170387.222 1196789.196 3003120.533 36060.17769 40926.4694 1229337.449 2936119.347 6065531.477 2013153.869 1008608.009 18706509.21 3729402.516 4708595.372 5157179.877 468528.3996 2264321.36 1724390.597 5371562.133 26272740.42 6008526.68 2998472.757 725132.1165 1515112.313 1409151.997 3161459.854 385301.6386 2492584.009 1450075.899 5693760.24 4302689.559 2223912.217 5863859.948 3899969.016 1212374.678 1775023.574 1656135.479 3466328.105 1160666.803 2760682.006 274132.9928 1186213.14 2011470.163 1756914.819 8785633.533 2432445.642 1068938.918 1822110.903 329523.7828 1065934.017 506536.1814 3243544.422 3293195.762 3943344.796 1567151.643 3280673.53 582261.1962 908090.7327 1336013.049 1739443.946 7360757.28 813064.9657 2438065.57 941742.1501 6579027.1 2133141.867 3440111.665 3676451.267 1033932.176 6207541.565 1183146.964 1529685.485 2358676.354 5247850.147 2501619.026 1994489.227 2529226.651 1231868.222 2432798.052 3786918.268 40972.47743 36775.69543 40585.74119 34691.54435 35359.1073 Docosahexaenoic acid 142994.548 193213606.1 621459734.8 713087708.5 236049285.9 341868513 450148402.2 492851466.1 225604946.4 334880436 259880467.7 374898601.3 261173100.4 159165973.3 259866646 150770298.9 148917972 219663050.3 274888943 279019575.1 466863256.5 293571834 412347144.8 409646069.6 385772097.2 610777852.6 770849490 205137424 229532127.1 402700614 126723988.7 230410473.1 123259618.5 435993356.2 184407265.4 254729921.4 162238825.1 301452555.1 333033113 225209424.3 353783800.7 100726858.2 392405471.1 165674003.2 219194023.7 584043327.3 221569809.8 242956827.8 647518618 807397354.5 110336253.6 212532452.9 252808011.6 239183071.3 147409265.2 400259563.1 321151412.4 360445440 205195818.2 551207656.6 273807489.8 510861364.1 345548543.1 764950484.7 302503529.9 321484720.6 234846373.8 436358620.3 155851592.3 276455624.9 210924172.4 674962958.1 866282229.5 254113593 236894972.3 123168334.4 211885046.5 132961567.6 451206172.9 230743616.7 560743213.8 609104605.9 313127008.8 783237034.3 126950808.6 353337953.5 271164989.5 313470474.3 171818303.4 124808001.2 377868068.2 219049507.7 163238779.5 607232765.6 810445063.1 1001424.775 239426.984 619930893 784438956.1 152181462.7 334286808.1 363406873.9 146992694 114678887.7 315578703.5 220424561.4 239444714.4 228132725.5 649135046.2 377322705.1 277373239 192368930.8 343635755.5 414433498.5 501568005.1 719207236.7 874583302.7 151913649 553959671.6 268945439 196980528.1 197902673.9 1023132663 368805613.3 185995797.8 363998756.6 418160579.6 702943017.1 353677220 601736537.2 250027198.7 738538631.1 639494736.3 801104225.5 200593685.1 123531416.3 116491227.8 220859331.1 351202009.1 314467192.9 510341982.6 385486445.3 690909376 218736340.6 238814478.4 236839616.2 240623421.1 244997054.7 300792063.8 702269111.6 735428843.9 337693157.8 318080445.9 141916415.6 253247980.1 183671859.7 486815949.9 432747526.9 121708839.6 683662045 341229982.8 424681108.5 319804340.5 245733052.1 183119207 400828858.2 420651510.1 265103012.6 690829559.6 849568511.9 202786122.5 690075.8374 357542.801 141104.7949 143465.3417 160987.178 Dodecyl acrylate 2673207.504 3973169.329 2918776.336 4610499.894 4817866.862 7984678.668 3727770.043 12687070.03 5514862.898 3194443.99 2685903.07 6828852.616 5856169.571 1993677.314 4484243.435 4041699.69 3447835.356 5274096.149 3756506.008 7690718.313 4607507.233 2298601.208 5708778.582 15383410.87 6376337.044 6806778.097 9065616.56 3681103.278 2898742.692 7925379.204 1808720.679 3109934.937 22448812.72 4859469.449 4996923.952 3056392.56 2644437.103 9936903.2 7187116.723 2945979.294 4872529.965 3213392.961 5684742.554 7077230.228 2398606.548 5366836.931 3071929.824 4954713.255 13152702.32 5778297.953 3250551.467 3870242.445 5609088.018 5398972.566 4095274.977 6099020.944 5420385.614 4591807.186 2739133.973 3561464.765 6447572.102 12455922.6 10777527.86 5792385.337 2899339.795 4006419.404 20899062.1 4296847.732 3641548.309 6173128.329 9021609.945 8281878.774 6210239.217 3909269.951 7064477.131 2525371.426 3405212.495 3243052.936 4909139.258 4398750.807 5745278.608 5691270.49 10702380.52 7628022.722 4028010.954 5831886.299 2872497.227 4462576.717 3817171.014 2097521.625 6311657.324 4036578.297 2154698.506 4734772.836 10003535.11 733018.9837 650232.1891 4661307.624 4251893.851 4369629.779 5535632.195 8260230.52 1189453.916 1875734.535 2941861.372 7511871.601 2794415.707 6246860.458 5731500.633 5948308.564 8318944.784 2709927.535 2953911.778 5592018.37 4650981.145 8493592.721 6345501.927 4656987.751 9052547.17 5712461.344 4201688.485 2837926.877 10286371.97 7383192.33 4101219.624 7916651.351 10632363.79 10755623.99 5290024.093 5250981.58 2946617.668 7142916.682 7777931.698 5646833.458 2573862.335 2764352.447 1836217.447 3309287.536 5909292.431 3726558.325 5227914.617 3747582.044 7546096.507 2896107.872 3948497.132 2881326.983 2660845.715 5973810.224 6010472.261 7931940.302 4737620.113 2732780.914 4860190.688 3747709.688 5453424.294 2158793.974 5067871.215 5153104.638 3322297.56 4870896.562 3175306.882 4076594.494 8342448.001 5316409.443 3564483.532 9640032.703 13958836.61 5596654.165 8019818.886 5352259.33 3760628.497 431967.0877 693334.2993 453114.6974 506275.6654 941091.793 Dodecyl sulfate 6922224.511 5931778.349 6222261.705 6829178.223 5351668.956 6416672.427 6616045.438 13386243.26 6641725.896 5852570.197 6845679.605 8526069.264 9428403.849 7917597.058 7158639.728 4792473.896 16440478.89 11234832.58 6999119.764 9558734.091 10981493.37 5492200.815 8409090.9 4944761.876 5343541.492 6570272.862 7604475.56 7281496.132 9625094.548 6121377.219 8306116.563 5505402.481 15534942.66 7187280.936 7979260.005 5377616.624 9396429.262 5967258.551 7713146.224 12099980.36 6554922.424 6811434.349 5953799.051 4910354.033 12755005.99 9955110.71 4904158.742 13961297.01 14500110.61 8334983.834 9737267.681 11341794.01 9563583.222 5843138.183 5254678.714 5477654.332 5553468.106 12228275.53 8288891.691 10513800.65 6877375.016 7176280.411 5650828.249 6299984.151 6430778.595 13773828.13 5688630.873 17623331.61 8031738.02 7765935.745 7298371.967 9822290.891 6795932.054 5624322.879 5397452.46 6461840.619 5889974.35 4668829.834 8845251.824 8460257.2 11867670.7 9855703.826 5867089.99 7734345.029 5959809.633 4254701.703 8951159.601 10465413.03 7746740.736 6672633.579 6468827.253 7988575.674 7232364.581 7539470.122 7184868.673 5515037.912 6561679.052 7312631.681 9455326.817 6369947.908 7276787.796 7223377.477 4617234.302 5516247.819 6923305.96 4221786 5090020.072 8653092.984 6450986.811 7091770.137 19261635.46 6499592.587 8246494.255 8828256.154 4951529.641 7802133.927 7921078.718 4791037.82 4019612.826 6501551.719 55005039.6 4504498.088 3863204.004 13081352.85 5126762.816 7712995.069 5882813.587 6898676.47 4184137.318 17511396.64 4611926.013 6111039.937 6706779.374 7263282.471 5496571.119 5129822.777 5615098.737 10224777.87 6801536.946 4466176.802 7167503.187 25047635.41 8257479.571 10645478.19 5086169.327 9597691.094 12500273.23 12237672.9 5595336.489 7754819.842 16107259.58 4607404.364 5465546.852 4969347.841 6107318.92 11837432.05 6452679.154 9272553.847 14200682.15 12327899.82 9129570.533 9221213.198 5062043.306 9284131.839 12369270.44 6515765.113 14063338.31 29093574.65 6091316.715 8490996.333 5580598.142 4523816.185 4391221.567 5443385.894 5188583.934 5744365.838 Eicosapentaenoate 38687.6311 34759682.11 259791612.4 335254981.1 22240800.09 38124202.1 41067059.1 42186225.41 28281562.83 35093421.05 24437259.4 47288174.58 47796685.7 16704597.52 22391685.77 12808571.19 21519872.83 18800731.3 18762629.4 28575732.11 48793074.51 26384413.03 34237183.16 60135541.96 35036453.88 277289594.9 403681080.6 24112829.67 18981239.57 37071385.27 15655798.85 15346193.12 10827113.04 45092577.92 17533875.39 28693566.21 8677612.332 34530853.96 50179713.67 18136816.21 29803807.93 10920465.54 45287714.32 24993392.19 21518956.13 67500343.35 28071749.44 25400691.39 288285628.3 434930092.4 10578180.4 18221266 19524902.44 27916999.6 20265622.9 29770844.63 32303271.93 42480198.33 18863862.07 75230702.87 39127484.8 67381336.71 34940979.46 80076560.36 29129281.39 24290214.39 29003011.13 44514741.83 27547134.67 37391723.84 37426923.64 314961303 463795574.9 37744664.3 34522054.11 10826897.63 28485134.46 25993626.57 64495493.48 22015129.96 55898094.25 77707014.7 40332081.97 174241210.9 18366686.5 43186254.24 18698541.84 31501462.4 14046275.26 14620773.04 50693355.54 25175530.16 10041149.13 274919107.6 415508334.9 241173.4487 40402.8112 280741468.9 412235066.5 41295323.54 38062491.93 64202052.46 22868923.48 8344316.711 20348576.98 25343490.68 23306192.62 31144842.81 55092198 46155645.6 27685226.96 15887978.14 24330632.54 43205874.16 68200104.15 330491802.4 435535032.2 21536801.78 52984890.58 21448160.3 22560397.38 15261523.07 113292925.3 37587052.12 29907236.79 52757325.49 45209074.39 88862326.31 29012618.77 105864367.4 18049082.67 77111518.17 292365168.6 427230987.3 15571221.7 22043343.62 19486467.89 23492287.73 30564766.61 22400454.98 38489830.24 32495051.79 97733980.77 26419674.62 18589359.78 16049125.84 22261902.07 27973258.02 36039757.05 311581427.2 363144634.4 19976253.69 57299383.8 20689115.04 20641076.61 12831998.87 42952287.31 31451237.51 30070180.19 46868503.27 19760785.05 27011436.01 39197501.7 22972196.53 23700002.63 44265393.04 38826110.64 27031586.01 312375348 420840674.5 40711252.4 110040.9248 60919.57885 33129.28252 37412.27495 38892.32555 Erinacine C 28262.13683 39028.9492 51634.8681 51500.82545 5332245.775 41112.97459 3620494.14 926155.4891 1001340.358 2794855.784 35588.84914 1266239.3 2647496.23 2409858.293 1928434.871 1785862.932 6045436.54 1084026.508 2012232.835 2117758.433 39561.82665 2278138.382 33224.87165 2495238.939 45733.39625 47994.28127 53313.90376 1213174.526 30288.98314 1694791.175 35310.58381 2418517.934 38427.54974 1462057.852 2694023.774 37040.89259 1701431.819 3538839.07 2550554.2 2662479.045 1237495.46 48574.76698 1568694.153 1850696.728 4083248.382 38045.70831 2409938.204 42947.51348 52010.43377 61424.99521 1754289.866 36637.51229 2022017.623 6565405.46 37223.88378 40621.37924 38544.19125 78269.7769 36800.35604 2450222.157 2759270.678 2071632.701 1912182.939 3541190.419 35995.76081 46972.78882 37548.87023 1746059.754 35808.25057 42452.55705 2596343.252 60059.05364 59211.69731 32976.12309 3519704.841 32543.16244 35264.86193 2377421.158 37119.39111 39710.17014 2812259.463 44030.35284 42203.20447 4371237.862 41057.54767 39439.27855 3786797.492 1611195.482 38860.07936 2093515.546 4870254.346 3257930.72 36963.62412 52285.66978 58773.30963 27111.40201 28637.35264 53648.67134 54738.86062 40144.87376 2529751.116 1514630.445 40639.14624 48980.92435 1317946.114 37329.35911 1198006.318 2518958.307 2820555.016 1773422.622 67480.11679 896318.9229 35448.01735 1765198.041 40845.24834 51605.05247 57152.41872 2081474.526 1251170.48 4287642.783 636452.773 2026414.706 4276073.726 1588875.999 39410.92449 2648359.858 1227509.589 3501416.967 36950.82298 35508.5369 1208647.111 36738.57895 50432.20269 55558.34842 683157.4162 444832.8551 971675.8897 1579250.653 3914583.465 857428.9929 4839410.775 984105.8575 671225.1864 38391.83147 36676.5072 1438120.168 38847.85389 1154000.033 267722.632 54307.65592 49414.16026 38371.61363 44126.00381 34057.91921 37831.75076 847000.9165 38645.33919 864956.109 522604.428 2416087.179 36523.16981 670231.786 1710444.199 3319949.831 2588933.079 5818024.119 728856.6187 1782293.081 55630.62314 55559.42706 39530.01394 25229.51991 24321.93315 28799.52874 25166.73684 24435.40022 Eugenol;4-Allylguaiacol 86452.39001 581213.3529 865483.1099 801677.8002 380153.5372 491576.4706 1196113.225 392161.9978 941731.3461 3712378.33 700387.2913 727115.6435 904152.6025 867521.1405 2152587.277 950435.8691 386785.3179 262815.5389 1382142.047 1901281.067 1070990.894 664074.7939 528989.4933 1828452.18 709073.0466 854836.4873 923426.8959 1822543.582 1639609.57 1414817.166 2408124.832 1347643.12 1793924.521 618230.1898 847803.0396 1718582.027 964828.8501 941252.0164 1610639.487 776346.5781 1528774.522 3238594.588 2364033.315 2188569.378 925917.2304 866045.3591 936630.2046 681616.1991 859185.6916 901148.3021 2548405.952 867708.5562 995655.9746 524834.3363 1113841.268 777943.469 1208767.771 1508026.32 1342566.992 1146957.732 1291060.193 1071364.029 1328980.469 1219084.268 756668.2699 1434518.14 921997.2249 1059691.248 1037138.969 437135.2002 1000395.238 828731.4824 920131.6272 2012103.863 1324803.26 1718172.541 717658.0279 1558169.618 1044177.482 685538.8732 661079.4558 1035408.518 638612.226 400166.1396 524814.6378 2238244.471 1586851.841 1674222.001 2770869.464 1147659.985 2206954.867 762054.288 800739.9025 804495.6804 876890.135 106204.4014 92595.30755 817790.9012 875383.5908 433931.4148 1813683.217 1973185.853 1224807.638 384826.6705 771316.1153 1666830.546 1825567.433 885856.6252 1412606.032 1013480.125 1272053.817 1271049.14 761375.8174 1117630.576 537345.0891 981333.54 956714.5343 1324893.054 1925069.205 1051709.689 858230.022 489568.7645 1092926.444 1180924.287 762186.3605 972690.7031 467929.4861 1631898.57 2281996.189 2647795.972 1541898.386 877481.7478 888070.9883 876118.9249 1897106.124 720942.6856 919882.2174 1567436.716 1260491.103 1626676.39 1039038.111 1225563.915 1771525.956 1710342.507 258842.3162 1213264.739 614071.7996 1049588.314 1603002.122 1039636.637 768858.5795 1233307.202 752163.8599 1869709.922 466329.2677 1236817.601 465012.0572 1732913.617 1344366.667 873242.3212 2177563.5 4024917.336 1154912.067 1222399.332 871427.2344 1709638.01 1175517.154 1015206.738 968489.05 917594.6193 642914.0023 110295.1591 94949.34824 94264.43346 71004.37774 75393.42628 Furmecyclox 1014202.068 4009091.82 3633764.212 3172407.633 4238275.172 4654722.857 4375016.425 6541821.559 5568165.201 8031249.095 2991677.793 5983271.045 20478385.39 3477043.145 14084630.59 6276292.009 1665831.614 4025099.308 3058365.695 5512633.782 17956807.44 9130622.392 2837454.559 4274438.386 2180503.199 3423173.867 3550973.96 26136245.38 4997999.646 3154017.224 4763366.718 2210763.741 7003462.35 24215124.09 3667218.354 5400752.985 7462284.275 3762414.648 8072968.204 8138497.423 5872911.208 3801771.182 3222206.644 4600212.147 2481182.954 4919943.715 5269915.213 6650705.089 3722703.382 3800094.146 3620226.403 7633247.876 5449877.281 2691643.52 8684448.535 4545031.089 3148752.913 6836017.472 3432295.722 8843452.632 15726480.53 5299819.82 3191182.931 5158038.917 12971025.65 5520523.691 3951171.806 3734081.107 3589826.169 6467592.529 5245152.525 4591881.181 3551172.287 4148066.475 8417985.118 3997027.747 6578986.714 6541194.371 3150714.1 5591791.612 5371285.764 19586487.1 4854545.597 7305644.593 5683273.287 3942593.225 5357427.173 9176245.162 3802038.664 4185216.092 4777523.641 6409261.919 2730748.554 3847980.242 4352155.063 714146.3197 535855.2622 3632286.096 3309003.952 2792151.099 5678490.716 7089489.516 3984481.517 3539085.022 4556498.789 8716558.593 5740507.724 3504816.899 8762464.697 15436690.89 4114669.995 8958031.792 6932933.091 4361200.555 6521914.784 4274743.315 3750552.912 2690810.634 5413481.395 6297072.117 7192707.339 5318211.805 5563282.412 4403949.166 3461771.2 5243463.743 9836720.914 6696015.608 2891723.945 3694188.965 8354050.2 9364283.596 4793801.934 3733323.252 3686816.237 5271882.192 2845332.708 4046847.633 9791982.392 3739032.71 9109431.441 3703541.843 2772522.343 3042757.019 3807208.509 3815071.178 4017003.231 4584206.271 6587754.176 3832572.393 3298014.275 3389709.912 6356133.749 6887895.248 5286326.98 3524068.762 7997205.514 5318198.808 3018216.105 6972772.149 9572344.779 5603242.256 9859434.397 7233536.806 3999667.441 8009372.579 5545576.128 8219620.816 4348139.753 4039504.906 4434277.948 1190061.426 1072953.269 1377652.235 1273036.1 1141840.978 Glutamic Acid 213557.0239 18051886.5 38289431.31 37775015.74 11444333.78 16817979.51 7112387.479 15787656.98 12979301.37 9799791.647 7978351.353 13733754.54 15506130.41 12447651.52 7724886.272 12959376.42 38027911.77 21841550.63 20607576.05 8510535.313 11832770.1 7359573.924 8049345.365 23167561.22 6724595.557 35935489.54 40344839.77 7696545.746 6060912.833 14082570.86 16895589.5 15744489.59 12450073.16 8828678.964 23450382.32 14325411.82 8262755.075 12811332.69 11770652.59 9027417.271 10555619.97 5246585.446 9380412.574 8997155.602 11453979.97 20893975.35 9783618.12 6873031.1 34437037.14 41891051.39 11783156.67 13605769.6 29462004.12 7933991.124 7614886.821 11427768.66 17030405.66 21575116.65 6279014.115 20749868.36 10149591.31 8637483.048 15375038.02 10106496.99 9136248.138 10898139.28 10770054.13 16934673.56 6441576.543 18766897.15 12397456.74 35458016.86 39954084.23 11479309.6 16369308.1 8490994.19 10799905.03 18954294.97 18505721.28 8502649.153 14093446.8 10357349.35 9945882.432 24667245.68 16598416.65 6149445.343 4492013.284 11571260.84 6551864.398 9977332.314 7104759.366 14452714.8 5563386.633 34787029.32 39173212.51 441509.2407 232804.7396 34007129.27 37452667.67 15804282.34 8215849.312 25520441.38 8800594.176 8452546.539 6667852.277 16303285.37 10080803.34 9519690.756 9586266.483 8517401.618 14219799.4 6698990.891 8395086.616 8994165.139 8999115.473 27040372.37 37077218.43 8047603.719 3617964.575 8456684.131 7240464.006 18181546.77 7450323.886 5739848.74 20890147.11 4105113.675 4635852.742 8195020.536 7980671.796 6675334.98 9560494.475 8104412.205 29718766.26 37158543.04 4560888.897 14005122.59 7261317.157 10625196.55 5491079.997 5492637.801 4458260.055 4915316.632 8006432.115 8332725.363 12269124.06 6476302.874 10121707.8 19007770.9 7657635.481 33325740.15 34626562.15 10021169.85 16307473.33 10467343.43 7921941.474 5402087.893 10793436.14 7270570.045 14310388.86 5566778.955 25107581.16 7893780.328 7252992.794 6568450.424 11956046.18 7021749.083 4841264.741 11577323.24 28754741.89 35207511.94 18439088.95 158972.8203 185083.9938 238006.6475 78890.31133 206364.4739 Glutamine 729156.9354 48239348.98 12583803.31 10861034.44 44385439.06 18092448.97 59803527.48 44152242.96 58453469.01 55064216.1 57883922.25 41812710.64 59243598.55 55024985.86 46568665.32 47758402.38 61971673.49 45721042.08 61506159.35 82752329.52 60936258.75 62255150.24 59038730.06 54573950.23 58387961.09 12098573.9 3435147.034 62663014.21 60444766.62 63064700.22 58606288.2 57435739.85 37717175.06 54941086.73 62868423.67 54940391.27 62737049.33 48144575.75 59534839.44 64766782.95 56809994.54 53003120.29 35600871.47 47233795.85 27602758.52 38074178.91 56704117.55 29556506.47 11697711.3 7572191.669 61181454.04 75412895.11 20779327.91 52267848.34 40338530.43 58914754.21 52824712.15 32223301.56 47831413 49539360.45 41031770.14 59653919.54 58693757.52 21863914.72 50730184.5 33448578.07 31935952.44 59304981.35 60394184.97 43758171.35 68268182.3 4949543.812 4353173.527 20004747.91 61501910.29 68168652.03 62111621.79 61343091.77 19310572.22 49127532.07 50194124.97 50338095.06 58018873.46 55476191.47 53852919.61 65715464.25 46686168.04 61554036.15 57379411.54 69876181.46 58812157.46 54265731.65 41456629.26 6366496.504 11115345.03 1003210.692 805741.3556 7741313.264 11344034.36 57377206.93 63971234.25 33840490.47 39425611.02 49797251.21 42075978.62 42412456.89 50943413.76 53048248.26 48344392.66 53017186.13 34814091.01 53139764.09 47898302.74 46295297.89 63496936.36 10349044.19 10066800.71 24177926.9 54013312.12 45303622.44 58811821.34 47808851.42 45974196.2 47413019.37 59973975.07 35326272.45 58990809.53 65102535.69 52784418.56 51425873.34 59294237.91 45475493.32 10982902.36 10798691.54 64421837.69 64594475.31 61626938.54 65103110.99 60297617.12 56034887.02 69205642.4 67936353.18 31656802.36 64270948.68 56083618.68 57268515.13 76842674.86 16369207.23 50106648.08 11859390.45 10247449.81 57822448.68 50960607.82 53303941.21 33493897.76 38232942.2 46473387.78 56315814.31 55137601.09 75365995.15 79544942.66 56679801.67 52993684.24 54515123.82 64123114.79 28010534.43 52336425.05 21487167.29 12017640.02 12019042.1 49906190.79 826867.5852 821306.143 794688.8062 974546.7729 825614.6212 glycochenodeoxycholic acid 7-sulfate 112659.6064 1549555.126 1116373.527 783493.8126 2907546.507 2080416.428 37723688.53 48718625.99 1177896.433 53165295.98 2639153.148 337664.718 248712.669 5313022.362 1850997.083 585726.045 637639.1533 12570944.51 6126074.647 928630.287 591816.1217 605658.6166 120480.8923 1288123.162 205281.0848 906655.65 843337.7276 37020812 360142.9178 1045120.185 1002085.408 256355.8713 649011.3981 715715.135 1895525.854 1241846.869 790727.7809 3331029.138 363250.686 740566.6504 254924.0305 2685935.4 3784540.614 1536937.352 2812410.986 2850094.251 1455487.228 1784900.306 1039962.274 987402.7791 445960.156 1161943.675 2047642.954 324082.0618 1365454.333 3954829.381 4002538.456 1580506.352 540357.7717 286123.8206 527947.6168 1839973.366 2144285.448 2228147.146 380479.9765 441546.6533 142778.1065 1948145.131 271116.709 1728017.97 722602.492 1079441.258 901061.911 1045803.761 23061170.43 1830284.637 4423707.918 108520.5127 793801.9334 2179715.675 7161321.244 729141.112 103247.9511 352648.6196 7397240.877 209747.6901 40376570.56 2427642.557 703810.8895 1934748.829 5766372.982 294829.936 456707.3569 833108.8553 856528.0349 84946.91545 90386.00995 811170.9452 954112.2705 137091.2965 947940.9015 188679.3536 254476.132 23913355.46 279548.7703 3605758.745 118622.994 142855.7971 547004.3455 394090.0647 2577858.545 421191.8974 596811.5408 974091.4224 904860.5642 1107188.439 827187.6671 857351.4815 89748.90379 581297.9717 524834.3367 439979.9212 596539.3269 28639019.77 505249.9353 113703.3609 797755.4419 2614325.804 109805.7382 124031.3805 849043.3749 85318.78974 997005.4297 864306.8841 374030.793 9967999.021 293760.4727 18934846.71 142593.2386 112865.4132 628142.8486 297150.7345 394305.9139 377977.0879 1418436.459 1053870.837 2157643.753 2293780.832 97311.70347 1113229.428 802769.0185 803669.8256 717327.1385 280557.9393 453064.1115 653522.2513 843298.4854 659442.6865 899192.5814 7957600.581 2958600.747 846428.7986 2224407.406 307571.1459 3112660.217 19213901.49 817591.6314 263097.0959 999384.8241 872514.6765 1567271.535 94294.18897 75146.09371 97923.29155 83137.46669 75348.75093 Glycochenodeoxycholicacid3-glucuronide 60727.9807 303861.76 252801.9987 434894.2531 661700.4942 96770.64739 1122653.201 1889572.276 294329.8328 297980.4393 324343.5161 65221.58929 74427.75478 78520.85154 1058976.377 89538.16372 229032.9301 2061224.668 1077729.998 1453698.148 86838.28203 449673.6387 303532.398 56208.72595 628116.1387 172107.9071 449342.7092 73660.114 189266.2777 1057118.125 60967.32124 240041.5303 198097.7587 59292.68125 382239.1694 81197.191 606429.3351 53625.44523 5726831.011 118073.9937 6584691.345 6160536.515 76640.02025 1341512.117 79657.13569 66768.50883 80641.40723 79639.13441 204805.4456 500748.9344 176981.7179 186309.6068 83072.79318 277506.0471 511575.4783 348575.9294 130158.4934 3759418.472 124525.4541 96712.10198 56016.00984 64653.2828 474332.7509 53029.55994 254415.8277 199272.5563 262727.0537 90790.89559 71506.03941 92577.58942 5001312.034 302737.2356 436194.441 471028.5607 213515.1626 74188.59814 68047.80313 469074.179 77596.33751 297741.4337 178994.7823 1615726.702 80624.2234 70609.08847 81562.83743 704201.0919 594305.9793 92686.85135 121574.657 100332.2834 204129.3909 605050.1566 1670211.907 190161.7317 408709.4855 79691.75405 86785.65676 176576.5712 405311.8139 1561650.48 34374.73939 226142.8688 66723.70129 677478.7476 98096.08296 139734.1757 188232.9537 225040.7848 70764.85723 571035.6988 77375.71335 215834.2508 1398386.329 71538.81283 78040.63734 187960.0559 373069.2346 69374.10669 474897.4386 75319.39681 245731.0802 2054592.406 2019356.201 209724.4146 33189.18829 349457.5292 87368.88876 509462.0609 172618.3316 140929.3967 62858.03847 125186.682 186901.085 399651.9061 341298.4249 341333.7041 81728.64163 2525541.6 594516.4177 97619.5539 1572089.21 310625.5421 194763.4693 78762.30027 232682.6368 210399.3169 181379.3965 70004.77478 612083.0226 215522.7837 364145.6011 72498.53636 42342.27039 144478.977 67654.65482 203927.6659 86550.45837 93621.82786 284244.0101 56211.76898 120213.6179 125223.2937 88203.29506 191572.9607 83620.30366 325522.3283 95518.84652 110421.7006 220830.5269 356565.2607 290658.8066 69562.65338 85494.40822 68173.02503 78894.99734 61683.53617 Glycohyodeoxcholic acid 37125.69368 23619803.21 39155628.65 39341775.41 5329053.387 8079896.14 2706101.067 36758480.13 3535814.752 4617539.499 11246719.54 5780536.27 3321952.742 10887452.1 5104343.309 8788779.456 28469143.28 7555496.418 13346196.83 7618157.343 10449719.07 29523328.92 21667832.19 15130322.21 7146233.504 37146689.92 42281063.1 5817036.934 9931197.135 5870156.947 9585315.633 2305394.358 15991192.09 157960491.3 5047618.889 9977931.617 16535189.03 6601595.949 1651398.133 9948876.699 3651511.842 43540649.94 3509092.874 26567448.33 10974655.45 10760921.59 10717568.86 7629448.89 37486907.62 43789034.63 23098467.8 37846322.67 7587279.308 31419161.62 16413743.11 11830620.99 10137492.78 4724792.703 46135645.69 10137339.79 2222005.902 8105595.484 33578867.55 6649702.695 65113232.74 13997880.03 4841457.444 36645360.16 5309443.398 10247394.61 17549648.94 39400419.24 48154637.91 12444884.74 6053442.584 102461541 14636603.55 16650836.81 16993818.18 180908420.4 57080270.48 5670616.414 2110851.208 16244694.04 21973813.19 17508419.98 5272099.957 20918507.6 18500463.81 22399294.44 48768243.89 34793688.82 2690510.186 35743972.34 43181335.33 25661.81225 33250.92183 34616282.94 41556145.09 3376813.001 2609092.581 2320275.353 5844836.221 17179359.86 2147051.993 53356417.61 1094406.319 2141490.132 3459775.859 8414434.769 21397429.06 6276055.883 102374700 31285650.37 964579.6466 42628408.98 45453027.86 28599429.62 4629492.149 1444223.702 3850919.202 6923331.596 8275873.305 62708834.72 3095066.895 1544132.306 9908288.133 16184183.6 2724995.958 2797508.989 6028460.783 651995.6815 37332574.05 43688387.35 1954664.417 30866992.04 2913841.645 2783862.446 12541470.22 23104630.03 21898954.85 10137463.34 3384181.029 48517622.03 12236527.19 6740457.378 10493886.55 10009331.27 377272.2445 41552976.25 39283901.68 30583426.44 3816659.659 3874611.41 27298286.81 20978460.95 26981269.95 4262301.958 25802437.3 81916701.57 3126290.829 16670554.89 2194131.905 4694610.206 15481098.79 2012084.45 8644808.793 11943037.85 40175204.34 44757649.56 24077387.98 29361.03163 25544.42083 30619.8442 39327.15307 45696.67599 guaiacol sulfate 745149.5323 14257151.69 13595706.58 17316288.89 11445213.02 26922374.52 21439892.95 49749460.89 20352217.35 27352687.13 18581080.76 11263158.49 3734310.2 3648683.363 13777008.82 19152906.12 45416393.51 29191552.04 38181919.92 48728195.03 32450449.16 61424622.81 34441997.74 30851153.6 52447284.53 12085102.44 17139140.92 812081.013 49518416.01 39456024.45 15076533.83 29513034.01 49234461.14 3624986.262 25096548.96 1825160.04 17324592.84 38844252.75 13276150.69 6660408.668 16497114.4 73304208.2 19471000.35 29952997.69 34154633.31 56878545.58 3266859.604 14081520.04 15372014.34 22541043.06 17922514.82 5367275.905 7587271.679 38535496.43 15016731.89 56269976.24 13962320.34 16471341.45 26984996.8 32000530.88 84326948.84 10314679.39 37235713.93 1729351.141 12572592.42 7926569.424 4995942.039 2778195.072 6912042.577 17758936.98 62046785.14 13930786.05 20265101.52 46296760.09 28633177.77 9646451.029 1393415.985 15445211.32 2417659.691 675029.2368 15883879.2 8485637.448 14025732.59 4599940.455 1778795.551 7161049.918 37286000.26 4750347.515 9021360.404 3944067.259 52886816.04 21624903.99 6401611.614 12559838.7 18356385.42 688598.0608 695223.2647 11650788.12 17192479.12 20041157.4 1139920.958 816067.7292 58666415.83 13361324.26 50817561.94 33924735.41 75784610.67 31767984.76 17656169.99 20212388.38 22176150.6 6309205.159 20724753.58 48835764.03 9202670.992 15091955.61 21541288.89 25074624.87 17836089.9 109037326.9 24272251.49 8544003.083 33009380.79 14892046.13 15032568.26 13879438.61 15955548.42 13104439.28 63934832.33 20367448.87 15092973.89 4745957.98 13822587.77 18017319.21 7103616.444 2542993.105 64152142.98 15844814.5 18820196.46 9026047.765 4582382.779 1947330.961 32212838.86 20214921.27 6885198.814 42064224.91 9289200.718 7096535.867 17704921.93 13168619.85 14068110.17 50039437.56 10970107.09 5470631.698 53330231.24 7359271.376 22629550.55 15832192.8 11963366.47 843838.8283 90451389.14 18144476.46 8046465.575 5353119.356 13631727.14 20166341.86 9326986.195 16033141.97 13706624.74 18652423.72 14831537.7 578139.9693 585101.5598 574584.5098 674077.9732 776747.9825 Harzianoic acid A 67922.77943 16191050.33 15744870.9 16805314.76 15279249.18 9623323.979 15975383.47 17163097.63 4797899.205 18687300.41 22205488.16 16711109.91 10363921.68 15351321.23 19137257.87 18554679.38 22758298.6 25040631.78 6341690.44 15942270.32 26042454.96 9651518.214 18176945.21 19934809.81 17975698.81 14540380.02 17579275.74 9935359.689 7349370.78 18252841.35 21228694.23 16084449.62 7542213.956 10307551.43 12074956.79 15126130.72 10532890.98 10704312.82 11795757.25 14589129.64 21806163.9 17548027.71 9298353.453 13600522.5 11795664.81 22169159.67 10234157.59 11020851.83 15762642.73 18527444.77 21079462.25 5937320.551 8713576.932 17395602.77 5422285.496 27714742.06 19546464.36 26062732.59 22082247.6 22814819.61 20212483.41 17956159.55 25392163.48 12773791.12 10121999.83 7954309.354 13489242.37 27517296.44 18447167.39 12704020.34 21254989.01 15336348.82 18523617.83 30627090.91 10734062.52 6393731.583 10815690.17 17886592.63 14461603.89 14612164.16 10315401.73 11192173.44 25420992.11 12969626.15 12157152.73 12111910.08 7174047.066 9415766.63 18849222.14 13458346.8 17578978.53 25510366.88 4783982.165 14531110.63 17551334.17 84635.50809 80230.87268 13114723.66 16179890.27 23521969.2 16852548.62 26690120.74 34872193.28 6154069.336 20942734.39 19930214.02 18448289.71 13094026.32 14902193.9 21794473.39 11733274.23 14976276.57 8417635.792 7145304.175 12454547.16 14249392.26 17442464.78 6567635.523 16941922.3 6065745.086 24244830.11 11854417.07 13050530.84 11060207.45 14335234.73 14904473.4 9451117.61 13703365.64 19334421.26 22684681.81 36058424.51 14709556.7 14432456.65 17199508.7 14896115.36 11471894.38 16183833.4 8496715.087 18768750.22 23880914.71 9475753.306 15667864.98 14931558.04 16414094.25 14789085.71 10552387.07 11000923.54 8582494.031 19065512.04 16071607.92 15659104.71 17006031.54 15251189.41 21164471.89 13374519.9 19967310.12 12095630.01 18583513.36 28185166.81 20109973.28 19764800.5 18218877.65 24758332.32 24292205.42 13034343.6 15233907.86 14689572.81 9459539.559 15806395.63 17433056.02 16470173.68 107398.0256 83965.9488 108304.1147 99892.53894 87963.89499 hexadecandioic acid 256270.982 845073.3273 1110141.104 867634.4454 1052696.419 1084514.831 1140503.62 2059626.201 745439.6896 780133.2439 424585.7573 979996.3655 526976.2774 572557.6168 991922.4484 602511.1832 674773.0093 902475.8064 492605.6691 914554.1213 734549.739 1087311.562 714839.9776 1163511.449 887353.4614 992252.7499 962184.7531 554967.1671 1522299.357 642662.6694 436410.1991 446233.3065 527839.7411 882982.9969 1034234.69 665363.2366 635747.1122 1158379.385 1915128.171 879701.5771 777795.8397 1085123.971 826361.2386 1045314.593 593245.0408 1083626.927 592254.1458 542394.7375 1198479.745 843802.8429 684949.4655 517161.7472 1633027.967 767785.8388 731783.1466 1428613.465 1138165.901 1055341.13 774509.4153 641080.0749 1248050.343 1271256.53 850146.064 653550.8022 633002.1459 811244.8553 645871.6841 889322.799 593009.6238 944984.8433 1375861.632 993075.2289 1002351.369 999100.4823 811582.0538 440509.8869 763677.5447 684971.3447 873153.5803 1491027.155 1003356.235 623651.0236 1271358.86 702653.3849 1015946.204 1068603.412 580314.3318 499569.0168 1634315.008 887297.9592 1848723.022 743773.2575 661304.6878 1111828.769 1029137.81 140380.8246 290438.0937 1050861.198 976686.7534 517431.1422 792936.0111 1101636.829 1095874.755 653371.1065 582320.0753 1053564.865 803301.6969 864715.9064 2580317.799 726673.5156 1113108.858 813576.409 1026827.806 1537002.912 771193.2257 1038255.846 911196.364 677838.5991 1062641.124 862246.4113 1563666.188 712218.4508 888686.959 898569.9707 669004.9726 1171579.841 1089765.631 1035414.447 595101.0905 534282.6319 767082.8048 925029.2007 1090142.007 962633.6472 712532.0297 1486239.805 832522.9308 766058.7056 803540.1989 852348.4654 661680.5488 499493.9741 1123040.135 710275.7961 934976.1713 947249.7042 638458.9701 822264.7728 1202910.007 978194.9037 907627.0895 524545.6711 795083.6622 722894.657 761481.7424 714079.7558 962249.9083 786778.2991 770537.141 955405.3929 914823.5429 888642.3685 1016264.425 790109.4989 642631.0115 1317961.879 1500578.732 937640.3554 1115785.408 1081240.514 1040479.12 333770.9665 375415.4895 329674.7177 298732.7556 294167.6345 Hippuric Acid 254670.1239 17396484.37 20355686.16 33521112.89 31846894.9 6858790.488 1067040.289 31234108.88 20376972.37 6643638.474 54544358.97 6022335.973 16005006.32 4380655.365 21376819.09 14360094.97 23640642.19 37699150.48 16711353.54 18430436.2 28150442.62 19296744.02 25713993.98 6595291.703 39286411.24 24837714.12 44589455.52 3393058.487 16707265.91 20336215.78 17383441.95 5585455.087 28366267.84 14643553.27 33856263.79 3121269.264 9808263.445 33710433.94 8276849.426 19240943.11 4999696.909 6647183.857 5466419.775 6886604.975 2607926.203 137792336.1 12771607.56 6602758.231 26615582.45 47585054.31 4108491.231 18179843.11 1806613.16 58800840.19 11989617.63 7545801.537 12733161.55 3837574.921 39055232.01 5210355.139 18180503.46 4020129.223 33613568.01 3998041.726 49046045.08 19260042 3888006.963 86277430.38 8447732.264 5469929.639 14104877.37 21038357.75 47025344.62 13465873.97 25957925.45 16592693.39 6059221 8203156.661 3473593.054 4766743.016 15186419.78 9038524.145 4130882.845 24528436.66 2472905.501 15683533.04 10783701.7 5548506.345 10102488.31 4135449.449 12747825.21 10435082.65 2564441.126 24197071.93 42955083.42 336807.6204 421353.4875 26370333.99 42673086.99 22139599.35 1566955.986 1809713.732 6430269.348 17004010.39 26687786.38 8522226.643 17227862.19 46139220.16 4835143.46 47842062.79 14168905.53 128568044 10155170.46 8178286.559 95944055.88 27238158.03 45474493.01 15183726.2 38026895.27 11715384.73 9092685.907 7309789.685 26260161.76 5215177.839 30050237.8 19232272.01 8252645.276 9035946.204 68494650.54 54419677.79 65808097.22 16122755.59 27427419.91 51468308 5678910.706 35193047.39 33494655.18 14798649.88 17336440.43 21708623.37 10668928.45 11311123.66 8751655.297 16065364.88 11504267.97 12564156.89 17590762 3126746.798 7211187.252 30405077.87 48865827.29 42911423.33 11790238.87 21337731.81 143825677.4 16273747.76 6227612.757 19943716.84 62110691.96 6427351.416 54527380.32 96099619.08 7310819.24 34558351.21 7463851.236 15298379.42 9520403.034 30217989.47 31297079.34 53857364.78 26423684.92 274359.6985 315333.1715 265492.6545 285380.6147 295523.1884 Indole 329091.0795 3992978.499 4649713.67 4192016.152 6050448.668 2609132.085 1627879.236 3592007.149 4400244.271 3108939.638 5523973.703 4662795.874 6040684.088 9383327.563 4217147.6 5054679.083 2146309.832 4924666.597 2579038.993 5239287.159 5703196.255 5382039.232 6435202.991 5190621.245 5444526.891 4416573.208 4653744.229 4328687.274 2754512.056 4691203.072 7947436.555 4836547.23 5526544.903 5679426.311 6654462.524 7491613.301 4156543.285 4517960.482 4523513.942 5154325.588 5570334.013 4105674.59 5091521.351 6504721.741 5138995.284 8110241.773 5781904.412 6253085.523 4705907.481 5122345.701 5934874.49 4421323.398 5959633.962 4613683.756 4173761.134 5886510.856 5788145.565 3718688.324 6367781.272 12454594.2 6155523.673 6313646.633 4862527.418 5039324.938 5476049.697 4362192.864 5460201.479 5399111.967 6203509.321 6593951.091 4558673.142 5052124.311 4972476.606 7444162.209 3528690.302 5996164.899 7646400.262 4406505.007 7134007.372 5385065.636 3669178.153 6105680.251 4731089.517 6509101.129 6274173.426 3738331.929 4361300.21 4999290.016 5216499.82 6300426.455 3066588.112 7981910.336 3668566.376 4423460.954 4776595.884 370532.1644 320469.0064 4123786.902 4481546.683 4787397.747 4957426.914 5991961.321 4532998.718 4991073.363 6341772.893 3582149.11 5346566.844 6138358.429 3931052.369 2992307.867 6055202.271 5648984.389 4582703.81 2381006.853 4536146.09 4842216.75 5133329.06 4547480.348 5012768.158 4646075.794 5082771.296 5986260.982 5334460.847 5052374.423 7354245.994 4809822.202 4811714.889 4677104.148 5372811.288 7096983.995 6275525.191 4780013.202 4619175.85 4581836.446 6635419.726 9058042.125 5894755.951 4395528.895 4838065.833 6369027.869 5223602.977 6228560.432 4987846.119 5065007.252 5733039.404 4915467.992 5243222.967 5990653.803 4640088.451 4958891.192 4213964.257 6603431.078 7597310.509 5264341.133 5999636.02 6424270.543 4565504.973 7201244.682 6906055.681 6618733.017 5631997.835 5756765.458 4359580.78 5501789.165 6149483.609 4493355.183 5709474.882 6907487.092 5174570.058 4955701.889 4401781.918 435386.9446 284526.3988 215968.9456 297258.9796 395534.3507 Indolelactic acid 442152.2243 4856053.729 6310268.502 6133752.678 4059070.166 5858142.401 1447450.843 3598701.415 1772410.081 2575633.233 6228950.668 4708618.247 4914201.781 5453071.588 4364176.702 5299585.372 2608969.802 7351158.431 2442167.922 4353100.236 6448796.303 3921409.476 6502032.239 4913361.949 6469845.886 6228859.538 6824586.47 2663145.518 2415569.567 6896916.408 9097181.985 4587025.657 3629341.862 7417559.433 6946513.362 7354955.6 3865845.557 3951295.08 3394310.97 3794892.768 4688631.193 3437098.089 4511355.527 6130367.666 3577955.942 10392950.94 3123874.881 5669504.317 6618103.813 7490083.549 5363463.054 5385533.631 2872932.221 5028729.299 2141203.421 5897674.772 7060810.529 7984775.158 4644831.136 24138864.49 8761236.981 4790092.862 7091270.316 1991301.625 3566982.049 2284026.383 2567956.35 9649539.23 3625649.849 3442028.257 4398152.697 6318615.858 7051549.593 5759438.045 2391350.405 6709121.797 7438494.749 2852553.898 6921053.873 3556716.927 2248045.113 6284395.737 3927555.335 6683502.268 6975870.529 1748288.872 3091322.608 6056398.313 4986253.588 8039932.022 4640374.825 8343307.54 2140456.527 5799915.816 6688892.637 458076.7211 442984.0146 5640915.838 6514885.118 4336770.995 2726455.823 4880146.926 7097870.384 3325341.141 9181388.623 2382461.983 4099463.489 4326548.583 4420040.115 2478296.407 4975212.825 9073272.407 4176570.389 2113794.858 5634638.621 6828136.111 7388241.218 5262944.01 3663116.939 2906186.76 4647971.404 4999377.05 6658035.814 4432627.416 9732420.782 9954426.667 4919724.65 5983316.959 5619294.742 7042568.258 4644547.235 2877118.498 6101381.363 6734629.356 7354081.715 26043261.88 7876097.628 3931274.042 4564772.571 5568247.722 3259185.894 5751903.175 6977357.798 4389185.902 4110276.361 2578259.12 20708572.93 5132810.666 5396405.388 6356206.67 5909392.573 6438414.34 9042255.365 3063182.18 4010713.665 6406017.373 6862893.195 11866541.76 13466170.56 5867682.01 3399980.129 8278998.142 1843606.068 5502967.052 6215303.468 4004114.333 10740077.37 6128994.017 6847071.983 6935563.542 5225223.133 409847.1323 409952.4917 377917.5797 394434.8862 454879.7772 Indoxyl Sulfate 594269.9969 871895.0321 915359.4537 1046894.437 481895.6043 1156512.82 1285509.102 4529980.337 1098058.521 970825.1943 1285930.079 1006738.023 852018.4341 1280151.578 802565.1495 2175388.946 2173449.655 2855757.929 2218546.727 1359302.952 1335286.532 545782.5313 1104993.678 583370.3843 1638335.943 816061.2674 1184278.124 571171.0752 2303225.286 1148589.695 833801.1223 1207854.295 770071.6699 1413849.626 1899935.629 628273.2503 1075511.102 1597894.248 527066.3398 946135.5579 1411288.364 1899783.822 2301144.229 1839815.832 1881046.212 1823497.454 591387.9353 1962372.591 922309.1654 1372349.281 1182822.63 1134238.7 881407.875 1411037.759 1486170.301 4809474.049 2974519.228 2526826.833 3040085.149 572190.1064 2073975.991 788509.7532 561561.7387 920747.859 528438.3599 1290543.882 528403.3447 1354666.68 1520870.469 1250887.39 1847797.954 963690.763 1277964.426 2382471.311 976189.3146 1439317.978 660564.0388 802464.2976 728171.6314 633888.1983 2134256.243 1040017.431 1244422.999 512843.8102 479371.524 1099269.01 587419.6004 1682221.662 1600587.61 1852317.677 1464023.539 2405218.637 617893.5575 888224.6694 1184945.176 542328.0814 501170.8863 818709.3573 1084339.368 1531100.484 541038.2384 510706.6292 2413537.031 1844446.902 1279613.088 3242749.518 629784.3618 1182512.86 501214.0912 1177339.469 1544942.365 1398036.042 1256533.765 2388292.541 1307032.175 1155984.857 1354063.87 2189221.26 851293.5151 1985609.049 1469001.203 785620.1236 1257821.749 1119862.271 1698216.854 540802.8676 840674.9777 597082.9322 1605965.443 899266.0023 1811856.533 1279908.929 875632.1631 1223949.356 805290.4712 565727.042 1911155.365 1709245.098 2089796.262 758741.8336 574894.8345 909684.4239 1481464.567 1609936.96 1138653.946 1798734.371 3111601.92 483294.8415 1075606.211 981441.8952 1097615.36 700753.441 904405.1195 1384047.517 1972998.935 1613601.102 1164342.983 2999648.253 1636718.816 620143.5235 1555001.124 1188127.518 896863.0224 1010422.089 786075.3285 1117753.515 1163919.354 1291211.969 980399.0557 1309490.996 842987.4866 373799.7527 385788.7933 539539.0811 597885.7299 503449.7808 Indoxylsulfate 435045.4136 23911992.25 24625827.19 28073297.46 11583834.73 30495480.41 24479699.93 128968325.8 26254714.13 23903927.46 34682845.35 29668092.24 23047741.51 29375123.54 26094405.61 52581743.76 44272729.61 87692436.81 57055414.85 36206388.37 32688477.52 16316697.69 24378419.53 14531536.22 40453123.56 23832896.36 30062092.15 14395210.12 54219898.42 26724392.85 20675520.08 31114963.87 23466910.74 39539189.8 47813782.58 18954772.79 32055074.44 45841318.38 12398710.05 23021145.46 35743367.37 47192522.54 64687827.37 47383991.2 54253365.91 40446454.06 958992.503 64868076.48 26525537.68 34846218.18 32881566.8 52986528.42 21088363.6 34097543.21 42164635.51 128606551.8 77751950.49 60090294.71 81140650.54 13946001.85 55132725.18 20839962.05 13941677.11 24247041.93 13619562.44 36062094.07 16242208.48 31533832.13 42065807.63 39319070.05 49915941.93 26207757.72 34171777.71 61309648.78 28837272.77 33707757.03 20734848.98 23600762.28 23551741.24 13437392.44 49645131.09 27314930.23 23088141.95 14781275.37 19781284.1 32507862.22 10571020.96 37719348.25 45354531.76 61034490.87 38252880.52 78227632.78 20158060.23 23539597.3 33269020.63 427380.07 500088.3231 23632444.99 30298407.26 42307496.5 5451333.84 8319910.832 58591596.15 43502566.5 34431979.75 81373378.84 15857038.29 27950426.43 8133633.602 22558462.31 40237563.82 41305571.03 32262764.86 59531100.14 35173213.51 29653942.23 35176652.43 54989749.16 23327563.16 54031135.29 39691402.97 19799544.56 36513537.8 30755099.05 45980922.07 11753490.22 24880187.32 12036155.39 41183523.54 21834042.75 47194134.52 29969008.96 24977171.82 31682142.41 19931977.77 19971713.7 48477621.79 51748155.62 48457276.12 18122016.91 16009340.75 24371712.9 46010817.19 42594325.4 27835438.95 49174519.21 105875038.8 11473860.42 24706619.97 26446731.64 27961978.43 20469831.85 20851528.71 36495850.34 46837388.93 46919381.71 27859740.96 75379624.1 28761924.36 11268886.44 39936302.82 30925792.96 19940632.61 26497853.9 21389764.15 30547512.78 29776474.92 33465524.1 26400644.47 33320156.25 25380853.47 422924.0263 527839.7223 425340.1675 463916.6584 423193.3313 Isoleucine 64323.67042 191855223.1 220426601.6 232151289 207136015 319864788.2 155206943.4 165552909.9 157725749.5 168328637.1 243104398.3 208354257.5 280813029.8 348554453.5 173782929.2 234936751 257955403.3 213909473.8 206857181.6 222834515.3 196681285.2 153982461.6 157402795.6 246627439.1 165175096.9 258660585 264064316.4 161385725.3 167711829.5 297267061.8 298033933.2 164158210.6 201543564.3 229618973.1 305437556.3 277675759 217085619.5 201002161 252365336.5 254251204.2 215393028.2 132842036.7 198899012.9 237065038.3 188803762.8 382434198.5 222708456.6 199144155.5 316493656.6 314054568.9 215704857 231132242.8 344923783.5 220689686.6 202304714.8 265080926.8 343244716.4 297620262.1 258187947.3 296505297.5 262899781.9 392176748.7 254635698.3 163874739 191474153.4 181535269.3 286039889.9 323817425.7 300592347.7 288844219 201749717.7 244919696.5 389146402.1 386297575.9 175675723.1 218345174.1 289088336.2 231883703.2 269204149.8 229421335.1 144030511.6 176495188.7 240446384.3 255892560.9 306813016.1 172238186 260847825.3 240405943.2 219594516.6 244915163.8 357002213.2 315411924 215081337.3 299791758.8 298080661.5 955426.5453 616845.04 226105069.8 241697893.9 185343562.8 177963236.1 237214334.2 209563184 213059475.3 199832517.6 191056822.4 148768903.6 159430762.8 186555044.6 161123450.7 305065976 203966212.3 165943903.6 175561759.4 226151910.3 237689170.3 262363366.7 326755700.5 159099270.3 179360035.1 173391854.3 292229657.9 184106835.9 132038315.3 321188798 152694672.2 163680906.5 181696659.1 214554579.3 181138963.7 213834759.6 180630624.9 243117005.9 278010498.1 248597935.3 232064305.7 269234436.3 241285040.2 181063968.9 219679753.8 208180782.8 203426803.1 220777780.6 199123328.1 272552353.3 184900529 252967944 298681550.7 256203393.4 267316239.4 287722211 340514949.3 412728679.9 185196347.1 252877890.2 215803262 221116792.3 291703250 335535002.6 239845963.2 196725463.2 217591822.5 194370326.6 274797507.2 262729894 188115001 162209828.1 376328209.6 321534948 356074089.3 276525613.6 1264053.723 645119.9512 735184.3141 775043.4986 882875.9662 Itaconate 139915.6928 4362119.636 4040370.014 4354062.943 4670180.922 6390794.59 6239111.698 6086846.245 3850953.006 5145877.757 6362361.554 5248513.58 5711078.261 3238976.738 6352910.997 3051824.194 9901535.672 6809065.468 6081708.32 6653435.052 4371656.331 5690872.524 5055383.66 6360546.465 5915041.521 3343656.361 3631133.127 5340405.987 5809241.596 7336021.357 6660900.862 6607619.513 7080103.123 3829762.574 4156700.722 2798548.124 4372445.66 5424687.604 5035637.668 2561839.672 4005757.93 5430604.997 4385694.398 3241587.793 3264850.436 5124077.907 6371314.657 4036767.936 3238313.116 3894936.713 3859329.496 7540726.502 3025793.786 6403081.215 9779257.496 6471978.252 5436952.878 4878536.272 3210452.928 3953443.209 5007906.018 3602061.121 4308954.187 6088965.793 5936403.591 8581172.036 3898180.043 9075330.974 3457666.388 5914951.686 8914243.845 2994416.975 3417411.351 3294236.22 5183047.957 5522125.106 3522622.739 6983839.896 2961843.162 4643495.483 6928882.954 4946713.615 4565790.002 3260452.702 4058750.689 5461606.187 6776597.112 5475628.817 3561028.579 4709734.912 4855043.833 3170893.713 4516076.306 2383428.295 3430611.944 325520.1939 359449.4596 2740000.776 2938648.19 6408784.546 3173955.844 5124864.148 3347316.274 4082557.453 7624035.684 3996055.486 4611692.75 5592290.964 6148864.399 5657679.973 3528893.653 6073943.473 5840297.029 7612467.897 4761040.987 1538571.787 2651176.375 9245800.933 6500161.033 4935879.147 5159287.719 3717553.517 6424047.09 4270177.8 4140294.708 6279499.824 5991551.844 4349070.442 5967617.724 6934089.402 5965661.771 4257593.942 2453529.52 3132782.516 3781145.34 5234071.245 4106531.67 7118044.194 3622457.47 4810081.811 4155028.84 2893634.548 5593862.638 19751653.93 3996282.191 5972111.245 6099694.391 5005067.615 5162548.186 3016935.864 3515510.842 4410247.562 6516012.575 4277129.664 7256845.028 3995418.4 4163531.1 4326621.875 5187617.333 6612418.673 6436024.342 4493891.663 4042162.678 4758606.476 4626597.603 5512652.635 4082671.563 5953376.282 2524654.858 3296863.934 5151035.082 305889.2816 296017.333 522614.9753 298349.1358 384585.4986 L-Methionine 615497.3195 6590480.183 7706009.86 7893217.422 5780023.348 26646682.48 5811140.702 6063891.084 5864107.375 28990337.02 9953908.087 21004861.16 9315149.595 8658545.581 6113752.569 7005022.452 15215481.75 8350653.063 29696654.97 7543538.483 9274956.316 8025897.26 6875954.445 6685629.365 6530820.808 8768957.02 8063065.661 5931637.775 7026906.657 6967920.336 12060285.82 5631868.702 7904759.256 8634630.676 7429118.751 11515017.88 7857704.558 5518895.526 7293757.736 6699360.206 6286759.123 5820161.726 8259109.107 6668538.859 7450129.994 7883569.346 9605875.937 8554134.793 8671405.884 9644361.72 7553658.921 5577553.139 6014141.144 6766386.233 6217774.36 7482983.293 6250764.924 5846921.735 7496268.453 10114238.6 7845196.425 8758099.216 9081391.389 6181106.252 7447031.972 5627677.274 6469055.809 9787511.286 9245076.364 10060942.11 7052550.892 7834247.417 10490280.67 9981581.682 5972378.686 9599780.546 11615681.78 8054715.128 7266454.731 6353034.388 4967730.629 8105127.111 8286620.247 12276481.23 12688425.8 6880725.639 7025967.097 8528485.701 9558936.076 10007409.48 7425298.158 13343038.93 4904412.442 9067424.659 9428702.53 800595.0816 831557.2255 7161821.182 8170520.264 4663554.395 7539210.146 7859047.524 8860913.326 7493221.939 8183641.793 6289750.272 6571128.937 6170070.109 4790199.695 6983951.334 26979257.57 8267289.087 7254796.627 5865529.967 7970105.311 8220625.351 8419346.021 4030682.106 6809585.284 5315336.904 5459850.962 8473075.2 9917526.324 5040440.68 8972115.767 6950823.273 6797578.413 7600915.004 6486861.918 6270605.646 7798981.645 5360424.955 7397835.186 8370169.385 9851504.727 9842891.987 9102956.733 6635083.944 6465027.535 7855908.386 11437447.78 10088422.43 6938328.396 6573611.681 8419519.926 10105343.96 6530551.244 5779926.248 5861852.112 8331326.698 9180489.249 11798237.13 11513376.9 8126301.768 8248467.957 7084942.652 6793173.876 12364156.18 7962692.917 9918117.883 12600928.82 8267070.612 10064802.4 8319361.099 8295625.452 5832825.98 10078674.48 9334812.599 9647496.338 20735600.01 7857397.776 642922.3906 674305.8346 823589.1621 636550.629 739801.6726 Laurate 12685102.13 42853323.7 87985255.2 101368446.4 108945068.2 91721154.53 32427648.45 241927232.9 40912451.73 36311962.44 23940227.43 57026096.13 167581933.6 15601424.71 42314265.1 41880308.13 55873378.2 61779547.56 27822882.75 45163049.35 34337524.35 29279071.82 35597157.16 83757201.1 62904348.15 82700529.59 106967512.3 48214929.93 25421347.51 42446669.83 24194380.79 36886088.83 19121712.93 85185502.41 34072486.11 36169360.76 26125701.17 53667353.02 84785994.5 36500408.65 40520977.29 42734952.61 53091592.68 55173903.8 20615696.76 39964670.73 38100935.74 45353947.43 89401561.42 113713799.8 38262764.24 27363475.37 50771958.1 45074931.32 27737822.4 47418112.01 41844443.04 61328852.44 37701320.04 28598240.71 75599419.65 76054019.91 75415416.25 43613684.85 26442584.36 34788659.83 29588852.92 23177488.83 45441016.72 74453043.85 41029788.58 93711068 116903529.4 35591257.76 30611352.75 19024300.9 27192631.3 20793202.39 41982283.99 76771949.04 105444094 59102950.05 52125061.41 76396412.16 50853091.1 63923752.67 34153029.31 55113948.26 35117471.04 17516383.57 38879369.02 46413816.75 19507358.83 84181966.45 110651223.3 10234011.5 10272099.41 81288515.4 108041769.6 48763182.8 54492642.23 62214523.91 35498069.03 22787554.42 38053905.09 38842581.29 59793625.4 56053821.48 101336649.7 46880986.28 29762328.01 24521752.78 39781575.98 57483381.61 68927942.87 95228658.65 113867459.5 131724187.1 113868426.3 32549904.12 44998198.32 38479451.19 52075024.36 42662667.47 36538190.14 41375382.6 116930719 101905886.3 56829666.68 24030028.35 33624685.7 67098176.86 85061654.17 106906823.2 29638912.77 25678696.98 18930046.47 25135538.61 74653696.95 56184932.22 69467960.38 24062236.9 73250225.41 62974656.71 32006185.4 31422151.01 20540304.19 32448907.48 91369366.32 92053269.35 97989459.52 26288416.02 42887512.11 39187242.45 67189594.7 23556185.33 196158975.2 66967455.02 65612872.81 28841721.82 38539953.56 46605626.89 32799815.13 59896845.14 29893361.69 130939216.7 64699311.3 29519086 88170175.48 107198859.9 37161580.19 9158276.174 8959167.526 8853516.093 8826838.866 8879081.675 Leptazoline B 299712.5975 286662.1929 307805.9097 357126.1462 422969.1617 16965246.48 11172840.03 641018.0995 506571.8691 20312993.92 1081933.316 14496573.99 670726.2707 1089589.723 703529.5097 983661.8522 2298469.812 973673.008 6034270.869 1459701.36 5949584.328 989100.3129 1087553.34 1424141.037 1173540.665 2029085.427 1650862.549 1606519.332 1208488.383 6539133.946 1158132.284 1473936.101 1363880.316 1265747.545 1442737.899 1419489.963 12911818.57 4378532.903 1586926.006 16028247.67 1412537.341 7346687.846 2542412.282 1644308.543 1741337.992 2336573.45 1560841.926 10577759.74 1785150.852 2959909.106 6104052.677 2251311.023 2240378.859 1947129.376 2021855.286 10325703.26 3864964.172 9212279.656 2164822.841 2321950.335 2792888.362 2624600.199 2464219.219 2778731.117 2784204.08 12252810.99 2673187.083 3125382.329 2631301.899 21092516.41 2983221.301 20249026.69 3356594.391 3203686.951 3566257.451 2711024.974 6607995.211 2890985.876 3092405.103 3191306.698 8943848.907 15573696.61 7792501.216 19246814.01 13128559.97 3326036.103 3659167.21 16013441.7 11661546.75 4280406.443 2860998.375 3081108.375 3042587.21 11995745.62 18935626.58 2732438.19 4837049.969 1336109.059 1442754.57 1439188.718 1187487.626 1299813.946 1285222.536 1257088.447 1229474.123 1465529.256 1388965.58 2339193.182 1776661.495 1589775.737 18577181.75 1818149.511 2084194.491 2190092.958 1996562.787 2172821.248 1980898.401 5185862.597 2008891.609 2307794.762 2519550.815 2157366.071 1826070.699 23782605.84 9978712.342 16739827.82 2518042.75 17807450.51 2853561.321 3023674.199 2578097.472 22439064.79 8044044.987 3498494.687 3130562.062 3222075.64 2385200.222 2847472.798 2854712.27 2592640.709 3177009.322 3000844.806 3115157.961 3008202.499 5120211.872 21395643.71 2937309.502 3222110.297 3046857.792 3420958.498 3438714.688 3800324.305 3481555.868 3131743.596 14562222.9 3523922.808 3617235.243 3405099.947 3338963.279 3768332.521 3435738.198 4116240.261 8592097.987 3491073.251 3476769.486 4215476.226 17581241.41 3776808.751 3919319.649 4119009.414 3448352.114 1988350.245 1789287.842 1660218.563 1965544.307 2016031.434 LMST04010283 56251.5908 812992.71 743098.245 770461.4822 886804.9068 2661499.968 143872.8722 1959448.785 220037.4776 1095431.613 673997.45 1557305.347 2205868.736 905055.6925 241983.1391 589835.6333 2389068.141 2508785.367 308254.3991 425582.248 947918.629 190977.3486 152692.4649 2736236.306 283738.4838 676410.957 942398.1748 289286.6893 611214.6874 1089049.685 2801778.725 1465640.7 853145.6213 851978.4906 1250311.666 2558973.89 366861.42 949216.9715 478619.0036 635548.1445 398456.6648 492364.0005 582051.3576 851578.4916 1423476.041 3538888.702 607446.3804 1014807.825 694475.0419 984679.7476 619203.1784 328676.8864 3691151.915 459520.4102 600425.096 1577228.316 1769374.541 1345512.683 1834947.652 1893726.941 1150342.494 2550391.678 533408.4438 1902531.967 354316.0331 518760.5424 1453178.463 3349430.546 480372.5226 1086654.216 374395.179 726614.7867 928813.7428 1471583.113 307450.2233 936293.7664 2830145.227 530918.9654 4617714.801 2515711.761 330110.3286 602190.8014 620942.8336 509957.4799 1432111.745 523211.7948 136250.3799 1274521.299 511686.9264 4450197.522 523488.0761 984624.8292 474591.3984 714446.5862 871200.4643 59215.05547 36290.67515 633111.9141 903225.1793 876193.8803 233909.5629 1133561.065 2968566.181 421992.2132 232555.1105 969230.8007 245882.1029 474533.1269 357906.8731 347413.6144 3628817.425 461136.9779 228896.611 322345.3493 242078.3886 846179.3954 1055145.436 911162.0161 254507.4809 397766.1311 705604.1483 666815.1688 560654.5643 471303.9716 1271637.673 168331.0535 276273.0675 733201.5618 270086.5218 165685.2985 993335.243 269435.4565 799886.5107 926916.6116 684679.5447 1191822.593 255670.3471 166477.0268 151508.6765 931298.0252 299804.9936 59430.02298 222096.0822 683695.6186 674691.0085 729539.8847 386473.8173 616165.7553 619670.7783 792900.5713 807891.0321 435932.512 3687547.879 399400.507 556813.1863 1507260.069 804164.3948 437814.6022 1043763.696 2121071.701 633357.3793 278637.2339 678539.3252 387033.4328 721269.4948 693709.3895 487378.2157 1504288.664 793170.5666 947886.856 824535.8908 49405.21959 36082.23244 38137.03643 40488.27957 49755.15764 LMST05030012 56734.33617 3256998.28 2696041.937 3300371.08 3171489.423 4020451.68 4975819.659 48159263.18 1659678.575 8780155.332 4170927.922 3132323.979 805106.1928 13884154.93 4003281.592 1605650.581 3229298.164 29975814.48 1062896.255 3944104.305 2548764.955 4393090.526 4867043.089 1491350.596 2421846.897 2331897.11 3191265.153 1523839.585 12662412.69 1415519.704 1963986.215 2064031.742 2442221.909 4025145.034 3914272.156 237514.7504 2090190.45 3526515.031 8973815.388 728547.3384 2296373.407 7765901.454 3619479.446 3671398.735 2464233.251 4397623.791 1528721.254 1519725.904 2478265.88 3535731.713 2305409.797 8159999.563 5805450.781 4908029.242 2033110.713 14249309.62 6900274.147 14171798.2 1804041.781 2646121.724 2196191.136 1820574.446 1705402.614 729600.7898 2529889.354 1445763.935 767189.1821 495194.5997 715216.949 2352489.351 9495660.902 2389842.362 3625136.943 1896906.705 1845956.6 7234694.593 4409978.467 852382.4571 722875.8444 10151849.78 2546091.597 5838738.771 430150.7525 3688490.053 895066.8011 2208033.496 1044945.829 648669.5751 1149901.697 3851546.396 3003751.497 11203441.77 3908903.673 2178256.73 3425697.187 64819.50753 63694.7389 2144230.333 3268375.762 1000810.547 705605.8832 868257.5346 670136.6779 7632214.88 3852124.998 2673187.63 3395293.847 2106122.056 1720798.519 882640.8833 471167.4807 4726470.169 5531644.615 8065619.439 709303.8124 2561607.545 3393689.138 894124.5746 613985.8348 849818.4875 3669831.503 2379701.096 4793464.57 6440643.855 498513.978 955843.4994 1751491.884 4311271.092 902473.618 1306620.39 4031151.954 307368.511 2161873.449 3092553.926 3195622.657 3501378.01 1645566.869 1097673.579 1190334.09 281771.5891 1988417.791 727002.5271 1780969.463 2962940.292 2330361.398 465249.3414 5279593.213 575910.7617 921256.4496 2432503.801 2748189.205 1070813.29 634975.6099 539266.868 2175370.371 5363954.637 6155338.004 2336545.894 7293796.48 497012.8414 1736807.004 7045218.788 205322.8214 2333560.358 1548591.668 3116029.964 2160984.471 7149658.719 2584151.306 3402846.675 3562119.281 72114.62154 46108.6018 50371.20176 65570.64502 51595.08941 Maleic acid 585525.4546 1790716.323 3116935.603 2612808.357 3770545.852 1915517.062 4188045.487 5894720.768 4766731.611 3756381.593 3531441.973 4215945.818 3873851.569 4061220.916 5148380.65 2748585.35 3944258.101 5422812.074 4205882.219 3082118.48 4517967.059 4462583.672 3610655.308 2151179.816 4476351.668 2087460.667 73957.40734 3076905.297 2310978.036 3592290.027 2673972.943 4307699.749 4450050.504 3005147.495 1483790.91 4059642.357 3450466.53 3330163.219 2491181.39 2878750.338 3010720.692 4157490.006 3898808.394 3735330.826 3072402.624 3956756.896 3586704.98 4330916.837 2152042.927 2461775.123 1476949.101 6645204.553 2950503.695 3567073.032 4807306.683 3732425.063 3495826.609 4199314.458 3288230.252 2461160.467 2303733.496 1963516.459 2019317.592 4112712.984 4047467.122 3902917.816 2334083.783 4056810.342 2922378.754 3716024.509 2647720.791 1905031.952 1913912.76 1440513.471 4208145.497 1920379.778 1965532.96 3362217.257 3140876.145 3728930.424 4090035.726 4079000.817 3495128.118 2034743.837 2804661.522 4272160.899 4215455.244 2569120.005 2199510.826 2804796.555 2110207.299 3471066.511 3064518.258 1967224.552 2408020.111 341170.9863 350748.2152 1946295.008 2287149.428 4274586.994 3991026.429 5473671.613 3641193.119 3404561.376 3128875.555 2573332.827 4619170.763 4378683.179 5077049.402 3062643.95 2764487.18 5193214.404 3818309.088 4610177.981 2497243.532 1659744.142 2047803.286 4618819.399 5877506.777 4810378.295 3677661.882 2178388.919 4393027.666 3917400.009 1257044.544 5427842.419 3706132.782 4014747.312 5125980.699 4553204.305 2369685.888 3450186.652 2083240.406 2438496.786 3859294.534 5059917.162 2101337.413 2609474.383 1965933.722 4466825.595 4157752.878 3209844.926 5031577.685 5485415.671 3399429.785 4251910.405 4755310.303 4376522.702 4000619.656 2355578.41 2291549.124 4635008.802 2659185.321 3498382.314 4302777.062 2038774.964 2861584.644 3463774.529 3416437.721 3077426.911 5316199.913 4029874.498 2997995.529 3144811.85 3536021.896 4491304.441 2059808.999 3780762.563 2036265.514 2357704.007 1791716.809 327489.094 304859.0862 380330.6501 308172.2707 350171.0744 Malic acid 5010120.072 23740572.17 50731989.26 49703650.25 22086692.82 23670924.52 18096377.62 56017953.74 17159849.34 24026922.14 14438698.46 22658959.6 19753774.05 13353509.24 28421322.82 16022251.06 33111041.35 32415190.94 20562911.41 25694365.52 14868368.72 20300245.56 22703108.97 19350084.61 23994154.91 40547266.43 43670289.67 31241819.92 24024188.25 18233274.23 21017002.14 17229642.62 15045445.32 16229253.33 11576820.72 14066549.65 19720941.78 15501035.22 14871210.43 11666988.11 11051674.62 18728137.25 17051248.81 14402775.91 12723452.15 17017657.8 12165937.89 21318672.52 43979848.81 44408541.53 17250222.59 67863220.4 10865880.8 18168602.17 25390790.8 25159098.37 21013236.51 34379035.94 11477972.72 17452996.38 11908828.89 18887813.63 21706633.72 18866257.16 12625514.7 29952004.82 11673360.31 19250988 11762673.85 13835090.47 29548221.7 40443846.22 37060791.46 13476744.84 24759258.78 20468222.88 15411001.97 22842885.34 20102343.01 21681898.18 17374084.02 21547902.87 12696270.81 24122489.88 20042926.16 19353431 26176952.22 23163548.03 24900341.56 21307250.8 23095447.56 15425322.81 17332770.95 35614682.41 42251766.66 3482636.836 2279415.416 42292308.26 45174724.66 13769580.89 14586551.56 23478429.03 14931751.85 16398136.48 9075613.002 19529131.74 20313928.46 18870762.81 14899648.88 15474884.23 21689691.99 16198578.05 22243769.06 22740986.76 18509513.75 34761905.44 44503460.63 18442105.3 22174915.14 26327694.7 17229860.65 20047704.55 22694163.9 18233314.39 15158137 19895019.39 14590516.41 21620576.03 17462146.57 16162291.28 15662655.61 13122476.49 34600067.34 45614296.4 13845256.68 29375711.01 17677955.64 25883648.72 16476851.92 18448946.78 15510898.87 12153297.23 15838301.17 32211416.66 17016449.26 25415028.3 32682908.7 18039570.6 12998838.7 43323457.12 46300209.07 40066435.05 27353154.09 16825143.21 21572349.5 15696809.56 18047864.4 17362794.25 14856361.96 17050514.64 32367739.22 21771936.6 11739107.42 17648240.11 13563517.98 19731336.45 20543193.85 19857684.79 37668038.66 38717206.46 25148398.39 3742877.593 4018952.985 6189353.178 3750957.667 4989125.007 Methylfarnesoate 34103.66335 6413143.546 13383846.23 14570522.5 6841433.836 12124529.71 8828557.975 11146003.8 7523659.691 8539597.267 5304003.276 17274330.29 13200789.39 2183036.838 7028871.063 5996022.909 7816104.184 4718322.57 9145077.238 12648590.14 4983714.968 10450223.87 6086020.452 21407993.68 5714689.654 11563554.02 15666770.47 6288423.859 8774539.176 19963172.73 2482674.655 5144103.627 3293143.316 9944747.795 11174844.89 8134044.809 3458815.998 13285373.39 17614359.25 5998718.098 9103476.824 4043563.608 12350306.65 11070528.44 5094276.254 13702386.94 6830018.318 8174181.766 14136584.5 17787212.28 2663377.099 5730343.593 9354937.948 7200586.904 7892868.176 8582971.838 6650587.823 11722572.25 5372984.219 10463657.02 12183331.72 27075191.29 11731216.15 20277097.74 7732997.311 9110072.5 9362134.709 9428096.683 4263766.6 10066577.52 11549630.28 15145579.24 18113654.28 8615220.594 8171373.019 2981594.094 6705742.312 3386800.222 12789002.79 8677723.475 14220719.64 10608379.87 8579820.056 18925748.61 5608135.412 9244165.559 5386999.02 10832872.23 3855902.109 3845450.37 13955602.9 5707623.722 4408361.473 12986448.45 17031734.58 35940.79803 40321.13169 13457189 16242437.3 6059774.104 13603273.84 11636000.21 878159.2832 2777351.269 5987569.841 6953250.307 4632930.847 7852683.578 13110351.52 12711681.42 5176978.591 3172603.167 7482905.146 12027956.09 14409159.3 16159592.15 17311483.36 4625217.017 9455975.799 8304267.701 5540061.324 5655921.266 16160499.66 7652762.867 7558624.605 7637880.902 12307382.18 16178641.37 8360802.206 7135402.723 6303818.32 9627755.973 13974821.96 16977162.53 3535648.764 2952956.613 2974286.805 7879299.328 7440203.905 4672361.476 11851854.83 3783714.421 8331465.605 6660599.158 7913917.238 4829364.851 9171582.886 7795610.246 11598514.2 15144185.19 15161441.02 1396992.9 12200536.54 7430788.918 9482117.402 2834407.561 14047568.38 6306910.92 1642957.392 8807553.445 7190891.863 4274159.923 13473214.29 7005751.308 8883150.571 15424541.44 11220487.89 7463338.811 14122924.32 17066081.31 6584236.245 33796.89628 32037.17505 31007.88385 42082.21006 32512.56458 MFCD12546417 355980.3065 43847737.39 37939275.31 56761095.24 41842476.06 19640764.32 18716090.75 34496815.39 26348554.83 35555375.96 39866450 8355826.485 46223579.49 7041600.485 29726178.82 41242676.91 61655329.81 28685192.53 23966716.63 33722122.2 60376461.51 30275672.33 41263672.47 11401444.31 48558513.92 36349362.72 58251964.01 3534946.477 8300791.179 52750636.55 48324939.91 44200152.25 99475629.67 67074067.14 48491137.55 21472736.17 21364213.35 214164765.1 36444399.11 68176296.25 8939439.213 29534518.19 20237640.53 17682362.13 38954374.45 261277942.9 47451584.09 66180970.49 41211833.07 67967041.82 39501399.02 33627191.4 2595569.169 71497897.66 9301341.337 26409579.44 27628650.34 18214338.07 87397801.22 24978383.41 38566404.54 5737637.059 39271535.23 13196961.55 88246109.29 26160783.95 4375923.252 63257151.29 10050689.64 103221706.3 41688484.72 38847554.24 63730236.36 6966184.472 53132074.99 68344425.68 3032759.746 75037808.29 7312292.364 100286593.8 91340833.63 37033943.16 80590918.65 5899095.554 11163965.59 13360935.48 92734965.59 60320558.14 54338583.07 26072078.72 36112151.41 35073101.21 3294430.223 36830012.1 62559550.67 476719.6926 295482.3655 37545908.77 59103405.09 40890413.15 20168831.01 6120582.29 39513146.89 32800930.15 48734841.74 7093237.311 33087327.47 75289755 28460519.26 58492746.09 30938080.01 72639090.34 14491391.37 17913332.54 28012672.02 48273812.61 73056146.97 100591770.9 102191289.8 18192541.68 52962587.48 22074141.61 37187484.55 18083768.66 54131744.82 43910448.2 28669527.35 21536745.55 78634385.16 97466650.09 103670018.2 13695135.85 39211195.38 62514120.38 52696487.37 38922193.97 30857599.43 19645418.59 61924562.15 36137816.52 22247897.96 19840215.64 48273235.24 74250877.14 23178911.55 47792156.74 89686813.25 14899780.18 37308293.05 40406513.84 55130262.49 98656915.38 22670869.08 2337772.341 73799961.99 20253157.01 19886415.83 58686075.73 113946735.8 8937683.661 82041566.43 75390005.39 16061779.26 37185770.04 33264771.99 31350712.23 11976111.86 19633098.6 40622900.25 64535812.45 46245407.86 486990.3651 387515.8526 358073.4054 374251.8549 355259.573 Myristicacid 36264613.95 412297060.7 845649627.3 1039320089 501186262.9 869859862.9 360320640.5 1395729637 482333487.9 424499530.7 191429924 748460047.9 870255309.8 135226179.1 418685953.2 344440126.3 331017696.6 460484310.3 343553008.3 473225244 266732575.9 385305915.5 419364535.4 1025572925 635754636.2 783153481.6 1089483810 478975708.2 236410055.1 714841650.4 193216517.1 291894238 176828824.2 744459896.3 316269629.3 317532104.6 249555890.1 688386573.4 767137101.8 332701263.8 466457634.4 264228964.4 628391979.1 568463822.8 190990619.4 640916613.4 264829889.6 407493523.6 871571193.6 1173655300 228439285.9 377567769 698001485.8 409661439.4 311381803.3 402781894.8 445844506.4 509848439 287202382.4 318089365.7 818454732.7 930527937.2 765099175.5 618465892.2 270783480.1 291482894.8 338181387.6 332223175.4 301618264.3 570139250.9 661039684.6 897388543.7 1205841261 390198561.1 567141241.5 107135699.9 371252685.5 203966238 520960598.9 503136019.9 958838623.4 381752098.9 471345684.8 1337546784 367084577.3 512231992.6 261243958.3 465594948.8 280990229.3 193586019.4 460963935.1 257945758.4 153884041.2 781734120.5 1164779595 31661726.16 30733571.92 797546656.5 1146629275 461394831.8 503850824.4 889590963.2 318203220.2 234689683 470491011.1 549448375.8 269985501.9 387995433.4 1400786293 615401161 279137814 219307273.7 423215533.5 729167136.9 784336882 932640357.7 1239626411 907157757.4 881317772.3 327457544 377645077.2 391118269.6 631151849.7 503909094.7 431807808 568114460.1 1626113532 1058847315 478947759.5 206967294.9 285457375.7 704322619.4 836073413.1 1153274956 227487521.5 281871099.1 162476034.7 319488481.1 695405365.2 342664508.7 526865721.7 140562374.8 715682172.1 589528390.6 393124674.8 191688035.2 283144867.3 429371554 799145836 898094744.2 1044251160 201186562.5 633764418.9 315371409.5 521912001.6 188330245.2 838935574.9 504255716.7 244517207.3 294204303.3 371019226.1 393148461.8 523250109.8 617159260.2 329428164.3 1286186405 752545533.2 309062059.2 875690255.5 1152791806 381638844.4 23737528.89 23967406.69 22807870.74 22633926.42 24165533.54 Myristyl sulfate 1568383.151 2177186.823 2422464.921 2672912.978 1967210.5 2220882.404 2727188.714 5077596.328 2338722.777 2491351.242 2606866.054 4234810.855 4065922.833 2872733.661 2635171.258 1815113.733 2129829.842 5587746.643 2370004.01 2933089.076 4273307.822 2031710.529 2997063.344 1897814.133 1854479.898 2574344.038 3506481.855 2769765.049 3237993.799 2384631.106 3422724.69 2094888.554 6596569.326 2813014.331 3085703.792 2059897.448 4420622.388 2263560.129 3190920.707 4058165.908 2974273.039 2328613.072 2719660.203 1979979.96 3692406.889 3194473.026 1763469.138 5358466.415 11014147.77 3194236.874 3629690.881 3921601.035 3708298.181 2317403.967 2117869.353 2168851.836 1994475.595 4921064.412 2344001.909 4055188.162 2613726.934 2724449.104 2224893.784 2374728.021 2295165.029 4130171.132 2403742.556 5466524.878 2790711.842 3473910.629 2545487.175 3598133.206 2969611.47 1980591.994 1886134.345 2302161.497 2277654.357 1719992.282 2891393.57 2860672.057 4824857.425 4493951.435 2318708.187 4256905.318 2417678.571 1757028.855 3596574.295 3015881.004 2761487.027 2705954.282 2297916.69 2828983.369 2629827.139 2798152.977 3664040.362 1808363.99 2019675.737 3001652.898 4008975.752 2423801.339 3524285.546 3055298.789 2590491.662 1946931.68 2560818.911 1662204.94 2121681.524 3722028.712 3486896.789 2529313.623 11412967.61 2947129.738 3750300.21 2831447.01 2486463.702 3313700.373 3365481.462 1911259.274 1531125.311 4833204.626 16826635.59 1966343.756 1632687.088 6448412.141 2404581.574 3640591.19 2577584.598 2817436.213 1561644.395 5955947.873 1994717.389 2570187.444 2609847.693 2740747.505 1943643.948 1459505.319 1713029.392 1646309.532 2513144.448 1064547.496 2314717.449 12238460.5 2995237.451 2590205.416 1751197.953 3209930.441 4313649.248 3240006.632 1647887.808 3048478.422 8931349.457 1205155.696 1887385.038 1382663.218 1847985.55 4772864.262 2290798.523 2832151.862 6269052.304 4588171.928 2950420.318 2538670.051 1690663.916 2319012.735 1059757.191 2254582.332 4681748.186 14794226.07 1958014.063 4005624.039 1610303.501 969770.5339 910952.1603 889959.1673 901488.5756 977754.6645 N-(3beta,7beta,dihydroxycholest-5-en-24-oyl) glycine 46819.40197 1045242.553 1144706.708 1597786.231 161834.5073 385939.6283 317060.0824 1348517.287 76835.36732 43463.59867 637752.1303 193902.3731 175832.4245 716929.5497 326100.7872 2566634.253 12529670.15 474574.0135 265895.6342 1141936.547 580163.6362 3342156.719 2489957.001 785633.5416 976524.0732 1080506.377 1669834.636 89567.03335 445330.7114 525651.9296 398017.8179 1901647.075 1166153.254 1663554.006 1594783.863 45006.42941 326600.4368 350630.9589 324943.4803 754597.4229 400855.2797 3113293.111 122429.3581 4622065.965 600650.7627 390416.0964 186021.8338 407517.6775 1122270.926 1794038.037 1280332.622 261467.2188 914601.1733 2203035.323 528057.5625 746676.8125 410025.8567 245587.8361 2428239.273 260831.7802 259311.9066 245201.3108 2952742.198 42733.88557 2142138.19 514927.9729 194852.5008 37684.51701 465962.3045 163865.8311 1062034.623 1060906.623 1971767.15 2557724.966 239505.8064 873097.8397 149178.0772 1254402.023 232975.385 526381.3664 597213.3421 667790.7986 52673.18058 498712.9387 116282.1142 721554.1804 92408.38548 161095.5959 407639.0971 155263.1001 1045240.906 2907099.917 133358.0042 1163907.631 1983116.091 73039.81683 43559.01529 1016193.444 1637174.218 789367.2738 50822.02667 129801.7316 287844.5684 1971466.904 348055.543 59932.38566 200934.7317 498758.7813 159076.4529 1734671.406 66788.64056 440974.8641 3360853.382 459335.0403 59260.52627 1550713.433 2065535.337 124757.4188 790371.2769 105163.1501 554953.1671 2039795.851 1080651.811 1248233.404 267603.6007 360627.9779 254008.2979 403163.3304 449031.1659 333916.1792 870808.9679 44097.5485 1259695.858 1925245.141 174503.668 345183.6299 225949.9367 156740.4178 3426635.982 181207.8729 578792.2321 116547.442 966483.3135 1421392.989 758118.5202 166317.8935 626198.5207 33480.17406 75247.66312 1229082.993 1689771.618 374462.6958 241146.3259 296485.9595 1101480.431 1116746.109 1472246.57 224378.4775 1888125.859 123101.596 421607.9959 1073534.287 41341.91292 987957.9448 560818.5724 366138.039 386004.8582 1891300.601 1349454.665 1939851.523 1126627.229 41121.0208 30032.01368 31742.27099 36429.02785 40021.7909 n-Octyl-beta-D-thioglucopyranoside 187966.7023 99226.07428 73606.88253 85920.65269 1407028.003 309060.5983 904133.7136 1129960.445 384773.2688 523238.93 890620.5689 668710.7565 343340.7668 1747228.569 907728.6233 1028328.001 1620321.956 1327530.034 328879.6935 825335.7606 1211327.813 469080.5155 1214335.509 700027.3379 223136.2607 172402.6388 114825.2298 660022.2645 579160.3108 322998.2101 852088.4377 2847650.331 492348.3336 493098.8554 901953.4452 1185524.555 895289.9207 931847.9929 378815.025 647849.5067 1361217.43 373955.416 685520.6931 335254.9512 113479.7501 844336.8382 987816.29 552061.6538 676990.4275 4882338.052 1213968.997 692618.3497 247737.8053 1398829.373 251419.9498 1466477.582 657319.0743 782940.2402 413143.3147 825705.3429 700864.0094 760495.1539 963930.176 884775.8594 383374.47 1210238.149 489135.3254 907207.5265 1616036.925 1023854.178 921391.016 130705.6358 103999.7023 995618.1162 874092.5393 779701.8238 647459.9886 932914.6239 387805.8177 1138015.075 735511.706 1017936.175 319970.9243 2048286.949 168638.287 285917.9828 1477611.166 186391.9867 326117.8246 668662.1565 1570980.416 1730251.36 102407.0518 81679.4197 185416.1645 100588.6946 245121.8218 126650.4281 151553.221 724055.6942 422497.8856 102860.1919 678426.6717 411293.3361 1012321.691 1176463.567 1948145.909 930000.4852 170169.908 417527.759 930262.4864 65298.13008 1240209.307 940247.8109 71139.46657 218372.8265 208724.3079 579119.3986 74972.09595 1044084.014 90291.61981 2026974.096 67920.99688 1705501.05 1269221.202 112907.6928 146210.7892 1457669.141 609092.5118 96256.11389 2880475.215 1334138.78 103275.8658 154476.8314 44444.08931 84206.51168 47387.50583 1498339.495 1057269.142 49480.62245 74514.06969 96816.38218 169200.0392 367559.9543 821496.2683 761546.5883 200241.016 563102.134 889991.1394 135613.3384 240692.2301 509033.7472 718677.2589 714126.912 584242.6889 129224.2208 562496.4565 51777.57335 216868.024 2742935.118 1009874.888 557229.7549 168096.2517 709260.4531 716864.5221 1351282.115 1271866.458 4992487.567 84229.45604 489541.0856 73281.66554 72636.46464 29313.43969 122276.5566 79980.64633 96528.8666 N-oleoyl taurine 28854.34203 303540.0386 455641.5924 385764.4664 821469.1188 971711.0214 784965.3453 818475.7893 473720.2523 775308.3496 294585.5459 958190.6947 344569.5865 224707.994 895840.1561 433182.8159 371640.9097 481372.362 786483.978 917776.4179 322502.7424 800007.8258 941111.3601 726282.9477 1109646.486 432294.678 479257.2558 569462.4036 727454.7693 731018.6925 291538.393 592128.4879 361268.2095 383522.9438 536351.4597 320812.7458 497815.5634 718751.5908 1127881.48 495426.6528 560273.4533 595174.4636 675235.6967 439345.2982 376547.7719 629346.2226 411545.3413 606326.198 559412.5023 542088.5837 373368.7898 526236.8215 1083220.674 667517.3671 834338.262 687808.0469 650535.8256 1094417.211 442528.2687 279951.7231 822708.7259 956536.0381 620182.5947 694648.5414 751245.9131 1156976.126 1242968.288 701666.3003 736692.2571 856550.9609 964655.0253 319949.2346 532924.5314 572247.2165 912602.3324 323982.1351 683179.3377 497220.4541 404334.3306 678541.4499 495683.4193 415114.8754 453333.7161 450764.0839 416306.1787 1022228.472 838475.0021 356859.1262 526012.8204 492709.8107 1770856.377 385342.3576 762927.9971 469660.5036 613258.8858 31761.38074 47368.54615 497728.955 484960.3824 510718.7451 710904.5377 777224.3471 240330.1382 461833.4394 277015.5272 693643.4907 459940.8711 474771.6152 911479.2532 561399.8569 478785.6777 282041.7923 490987.0246 755795.9848 667775.6506 578953.9988 555716.4281 491998.3008 886018.6778 691707.0147 611782.7887 402026.5015 1006005.406 669407.6623 371879.2826 1127630.985 559779.6026 668249.2422 638321.6875 504252.5175 469633.7898 406582.2698 438768.4263 495965.4189 566641.4012 211924.2336 255434.739 702221.4815 587197.796 484851.8841 551656.7089 324137.2593 622365.2607 518301.1244 402582.0616 515653.9934 380702.3169 667968.0972 771745.975 566469.8658 380055.1952 388129.6576 1165600.292 478038.4877 685367.5835 226226.7361 382047.0608 419205.0711 156633.0602 1067577.439 952214.9326 552776.6837 521830.4084 412743.4026 300828.381 649124.8802 656157.2594 826912.7435 611419.8288 568398.4334 231798.2684 28379.04219 27012.93007 28453.8982 33618.48158 28134.3798 N-palmitoyl serine 26842.02172 246321.1042 333691.1982 301017.1867 386892.8656 415784.109 397372.6517 428967.4688 279932.8327 421040.3465 356144.529 316137.7305 169186.1186 303286.7204 369045.3346 342518.8929 369593.4286 405957.0447 278795.1487 374887.6814 312952.3617 328227.2206 278887.3098 332730.4048 272635.4997 329752.21 337687.4107 325662.0586 278099.4931 283891.3096 334788.5236 348219.3125 326993.7053 303645.9987 256696.5782 310076.5835 400760.3886 337628.0285 390256.3382 342923.4633 343698.9267 392146.6431 411284.6863 361960.9277 301068.2937 381701.818 253625.379 359255.9624 354125.6907 384404.7826 315664.508 348463.3623 337485.2067 325424.2461 426884.6749 403778.9152 367345.515 358343.5002 384014.4863 473318.988 321724.9187 376929.2552 313949.7893 396951.5212 278301.6286 498450.3169 355890.5679 364580.6673 308169.6292 477955.3642 442198.5948 387806.7603 360881.6871 417731.3909 345835.7426 283970.7343 389052.0163 312867.6 297422.4585 464810.6806 319525.2939 311306.2933 335436.6101 301158.4965 328107.4604 414418.5729 359124.9771 267182.7703 342796.2457 430355.0371 434240.0022 375346.684 274097.3026 369198.245 304587.7339 31725.44488 36883.06556 385014.1827 365293.8011 263074.788 276721.1387 335667.9419 351607.876 392362.15 215302.0267 344251.2943 367208.4951 331314.0758 282683.8948 314742.0491 353335.7318 304485.7262 395899.1375 451536.3447 340806.2921 420765.6743 438971.3116 316275.1268 343593.1601 277469.3703 373085.7745 307295.1859 380676.0876 413334.1381 401687.6508 421265.6908 260922.4729 356377.4456 310971.4311 306960.564 394030.6749 265794.5152 356323.4303 353797.1423 423475.1083 642290.7235 367385.176 411441.2577 401474.4439 344747.6606 293122.2027 337685.2993 304224.2415 428559.191 263205.49 341454.3301 411901.5395 351828.6893 346249.9942 425840.9665 295930.4564 327554.8889 571960.1575 434120.6307 339969.2827 324678.2559 327056.9936 423229.6422 380044.8913 609233.8665 499301.5684 548298.2613 385867.8724 355672.2713 297901.2934 427790.488 364941.0626 428832.2138 476958.3867 318830.9012 294285.7614 36181.64898 28969.3191 29590.88049 30305.20744 30510.09373 N-Ribosylnicotinamide 30478.66632 19433252.76 1132173.127 2469515.381 224194.0813 528709.6486 508701.5493 1643026.648 672267.975 884215.2884 3223823.512 458614.8392 688137.5502 856212.5981 897005.6465 1446629.823 213389.2518 1512446.282 1576626.52 517608.5824 1038115.664 4914258.84 448094.0208 570370.3891 438978.5224 1080056.98 2124819.462 949730.2258 334881.2944 2079350.119 1204912.455 222271.9618 1302632.511 7611035.96 478285.5144 463037.8346 5328971.953 479417.0609 575213.7239 5947694.017 3627397.052 341550.4158 347988.5589 306209.9545 971820.7184 1109392.78 824118.1589 1304862.125 1205584.166 2874787.979 736232.2419 1312688.38 266981.4012 3867998.83 499977.3023 1113447.973 854197.3699 929851.1552 616746.4535 785677.2455 1384558.562 496306.7136 3868969.315 1557993.295 6287244.244 569702.874 12653473.62 5712075.331 636456.6422 688764.0813 384989.2927 1140052.216 2755086.6 771727.0153 357978.9444 1228923.347 1198665.801 406337.3747 1055340.961 242154.3731 1182842.657 1710018.881 670140.6752 9679553.747 1409474.167 546410.783 733275.7491 790857.9589 404523.3651 1150232.483 372704.9848 79076584.55 9183441.773 955630.124 2968663.761 28793.86963 32679.57896 981619.7398 2895498.359 4441574.057 983893.1889 2381225.469 469882.3034 283794.4351 576843.5121 656583.0425 736049.4011 1012306.78 2549338.041 657653.7012 582426.0074 3761344.667 656378.8974 216189.4912 1400907.593 1125200.748 3387054.413 957430.8962 7370019.052 1038071.862 1639955.18 287803.5014 1575070.51 516209.2172 536009.7099 9225716.971 1989298.637 562763.2114 1369426.609 2252730.942 1509264.961 1395368.274 947185.1966 3404895.359 921357.8361 4000510.7 2318147.316 1793908.425 12738269.2 1260535.809 1956855.892 1779738.047 1288876.064 760485.5512 245466.0878 459421.5426 748414.5176 1159261.236 1181151.344 1066799.667 2737037.838 1039289.987 457109.2521 839089.0115 232883.1985 3782290.23 496784.9651 960902.52 2498038.615 3624205.701 1384639.394 1090128.662 767650.2196 17301690.32 1279445.283 1230623.88 2365765.006 458224.0563 983640.5494 2824323.621 20682062.39 32716.31614 28469.71858 32407.50921 25890.52601 27386.77592 Naphthalen-2-amine 305836.6185 1172148.823 1248272.149 1103903.162 1890907.791 731867.7346 890497.4201 1160530.826 1249608.486 284657.0524 1662208.046 362703.9406 1855721.009 2911816.014 1187270.059 1714267.836 656662.5472 1499195.221 727943.4316 1511987.064 1766051.194 1640185.13 1910012.894 1674415.613 1498846.681 1264640.074 1409390.341 1259193.301 835756.42 1322861.462 2335236.855 1488958.997 1544205.481 1679974.981 2113443.649 2344747.205 1244526.442 1237787.313 1424425.113 1669950.378 1723755.791 1271257.115 1595690.424 1864761.063 1545449.311 2543035.8 1698514.831 1952958.013 1368716.56 1405402.678 1782754.152 1349555.202 1763413.547 1458538.464 1363708.493 1735859.937 1874011.92 1134072.176 2008559.166 3991708.228 1968043.239 1964060.771 1394307.97 1577277.109 1629238.735 1357245.669 1647626.442 1758599.355 1889762.109 1816289.026 1309017.953 1431691.094 1455746.746 2435989.289 1114453.678 1768768.587 2371475.487 1364330.279 2183839.199 1719858.767 1063209.833 1818629.999 1314718.231 1862912.935 1953873.311 1151039.626 1349887.215 1485289.177 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5243532.253 402749.5663 530312.0711 278991.7208 1066901.833 312161.6745 266012.3386 252426.455 234160.9619 473541.2634 314618.9226 1047840.85 512217.3758 190607.5824 745168.3293 343942.4519 5049344.784 4834307.008 587628.7893 563818.4926 630198.5039 694257.9021 339893.0419 64647.08858 236533.9937 153264.5769 606072.3066 837820.1798 411545.3699 544133.4277 228072.6718 745144.8946 703732.1286 491676.105 390489.0126 4971749.797 5677193.339 1996793.913 39605.81474 32239.50581 34294.8985 30944.63354 29539.63837 PA(18:2(9Z,12Z)/0:0) 27743.60411 14104838.52 20119607.85 18481097.6 2464948.742 7701572.348 5116365.178 12666600.7 3961495.893 2881930.654 3056277.283 4608832.236 2339795.338 1173504.643 4655428.199 4525672.526 6736197.702 10244364.55 2539763.231 4000466.061 2372152.669 2942819.891 3492641.099 3960530.486 4465824.957 16529425.85 20754657.27 2330515.179 2660757.317 3382836.584 2861777.454 5584057.074 2020656.025 1771854.777 4157897.275 3165342.363 3302888.149 2846538.765 2643150.049 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3052540.734 2418176.246 2263952.302 2566245.479 2172782.227 3039671.86 2778507.345 2786880.817 760923.1299 17426947.02 18352647.95 3154429.493 6126833.43 2077031.109 3064441.124 2375124.737 3487121.466 1714318.773 2208010.241 3863202.056 2580179.516 4322169.089 3143075.919 1654068.663 3063473.991 1655685.093 17954330.54 15924488 5062918.83 3471958.325 3283614.214 2915968.727 1753090.877 2369377.494 3140549.213 2003497.633 2642008.064 3696526.535 4194715.653 2252690.773 2288302.954 4267461.435 3192856.358 2196590.94 2201883.456 18810825.59 19108022.75 10764359.86 55606.23209 28788.46291 32682.98552 30733.98537 27250.70833 Palmitoleicacid 27293848.45 1546135195 2232302601 2834082134 1341935415 2352166598 1213663047 5001185958 1788779213 1067574766 543700618 2760935151 1472637477 315621850.3 1292539853 1333026492 1145074198 1759613832 1617444253 3724666176 756994574.9 1202218558 1221468673 5058227695 1530164359 2062752377 2888206946 1024433485 912611859.5 3274830312 290782357.6 1033900236 612200651.5 1423846458 2007114855 801339777.7 601523811.5 3727688790 3489719121 707220223.1 1831090911 1049589437 1722732035 2563629011 714612469.7 1442057401 1020642626 1775808935 2321946638 3067285956 576691932.6 1605009762 1933284117 1957417329 1786527946 1442356849 1776774108 1074207204 649638832.6 864708692.5 2069759372 4470011493 3764754472 1577829328 739337220.8 1326213132 1778622433 1356654691 1100079870 1853603346 3479035176 2278485764 3187470566 1045822483 2661007396 284141721.9 1122380672 785515835.1 1390530628 1156938458 1440635446 987575150.9 1296871323 2604485185 1054483161 1728922854 825013333.8 1335519442 948728140.5 501809620.7 2550530324 606797636.1 790627493.9 2044453437 2900691804 18710438.02 15008287.96 2095206837 2964816747 1075896857 1563904644 2604068067 752963662.4 513732179.7 960821443 2792739473 963276097.3 1680992240 3235718563 2114809596 668676817 466774176.1 973780726 2508138694 2090457541 2408252221 3056961385 1399378132 2088078268 1286997816 999378451.6 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205657.649 2756631.283 504029.3499 5575654.287 3346686.691 425680.8834 348401.6653 1146489.484 576123.7906 7497743.828 673392.3874 1151818.576 303328.3734 2685792.132 2012257.158 13108907.34 2976407.584 329540.3693 2602940.275 486742.0338 962258.5266 635882.7021 413163.1441 422841.1642 2277262.088 8575507.917 781092.7639 241075.8868 285628.4559 518679.0923 273287.3233 3941621.021 647001.8257 265889.6332 1015085.498 2787143.81 442325.9192 560312.2757 211502.104 1026626.74 449432.0765 520110.9501 3673319.352 304399.3665 404514.9394 1099183.175 1281038.442 2757322.843 4982179.478 2665537.577 557343.4661 10118200.85 3037121.77 332599.1272 2654497.163 509484.1714 1962234.865 98925.65406 102098.2579 89690.40031 120886.8234 106862.1346 Panosialin wD 31880.54467 1768077.524 2470843.881 460416.148 465569.3084 214713.6168 10535366.12 177376.2916 726314.1916 530740.7246 435440.7672 247271.2526 1710306.437 356321.2001 1091718.681 11540686.77 289183.7849 118337.7904 250537.9724 3335481.381 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1107053.217 8573770.667 2270633.365 516759.9051 381519.0476 9428732.184 3056697.576 439162.7549 16924960.7 533025.9989 808764.9941 2787667.533 560763.7637 4205389.517 8607451.066 253540.3663 559056.9111 716866.7879 214377.2597 7566577.443 889939.3982 910802.3113 223948.2406 1848840.385 5055146.637 13772450.22 4127201.095 523382.2285 2411303.289 469493.8427 1695031.93 427350.4316 472127.5849 324391.8002 2532139.165 18512590.06 1122186.775 365120.2504 773338.982 766357.4992 240073.0437 4609527.64 449681.9015 298454.5884 992307.8365 2472750.46 450392.7035 672694.8854 133931.6993 949269.6661 336415.9828 352248.3504 4756346.547 282423.216 385115.001 1294951.794 1209259.522 2484121.8 3148305.981 1994458.328 460231.1324 9637407.398 4376523.626 202954.2063 2544593.857 486033.418 1839761.392 28579.57348 24129.77604 30742.14767 24474.31235 25423.61932 PE(0:0/18:3(9Z,12Z,15Z)) 28852.39566 824735.9995 826321.1044 798397.5389 597774.9271 1107174.046 871611.6953 1640353.182 844741.3397 833257.4358 812391.3517 402687.6661 1120074.014 605537.9891 314610.6174 1162198.485 2396117.291 458606.1231 183648.3728 734273.3274 1021359.482 1165695.183 569001.4098 909668.3062 745585.4661 707694.7544 609978.9341 574466.3344 817753.1513 835711.4771 2179434.371 831766.377 304891.9694 717006.1581 719991.5449 1965063.072 472091.8859 241213.1577 635043.6897 157091.1728 612333.2555 1118786.767 580785.9838 746006.0031 781787.788 1437433.868 593009.7608 655866.7639 533582.0749 587315.9751 1284249.478 1813248.029 1088621.886 296044.8975 494267.4238 898677.406 484295.5324 1519019.956 1182306.795 4508617.337 2420157.559 862476.3757 1048675.191 687721.4688 652585.7857 625984.8773 794397.5555 1055151.355 866108.133 657535.8854 541296.2181 679976.0764 584392.5483 384505.9915 375947.8608 649214.8602 425351.9308 388070.0282 1878293.443 1402182.603 930225.7489 472422.5241 1374066.278 1883335.036 1995082.892 1133672.21 374475.1295 1488825.292 1321006.973 1120188.182 313458.6709 417055.6432 317949.6664 618854.4712 773442.0822 42569.84657 47839.57459 494477.4876 737788.4065 1258470.583 1543441.158 1301790.435 2107695.683 757618.2737 658882.8441 624102.8229 1147743.792 1441111.584 622492.7804 943785.9305 1081507.433 1141999.86 359727.6184 109532.2804 1203107.318 838670.8406 602207.6997 758184.0781 1202218.941 457103.492 2266530.142 386758.333 92899.53227 585280.9696 2096594.293 1832840.361 1218866.198 2266814.607 420955.4764 646032.4167 848021.5241 204965.1636 570643.7379 851797.2691 345182.7076 9357303.596 329786.3783 357107.5946 1033935.022 2927277.027 387173.6523 323661.9356 1881127.002 1262187.868 449351.7607 181075.4513 5348803.76 526502.1778 541901.027 729840.0647 679793.1294 945057.7379 2299628.508 918598.9453 543375.7172 2525641.31 1096576.171 2560129.477 3910906.497 438058.4217 1416672.506 1280433.5 680622.7709 1135793.747 1495083.763 609724.4115 626508.3912 1242991.967 677801.6835 801344.4283 1514050.472 27562.625 29939.01294 33989.18272 31962.2895 27551.99742 PE(16:0/0:0) 30404.93271 1925772.107 2035037.287 1669977.085 2160500.764 1882416.726 716805.8569 3256259.428 152398.0285 1097786.451 1676960.142 1640447.619 3079203.096 1036630.182 760822.625 2448569.986 2187001.285 2693772.53 482282.6701 944918.1145 1711980.88 1192439.991 1509163.467 1289447.896 1293172.394 1876166.742 1847179.068 581666.4588 597419.8619 1566418.329 3364270.649 1944602.236 1255954.391 1378021.768 929974.1057 1636104.848 888983.3639 626030.6747 756390.3211 1139638.789 1263536.848 876844.5291 653677.0914 842201.2371 1187751.975 2734891.955 1380234.522 1714026.119 1945738.592 2036462.475 1831047.93 2970834.997 1136141.99 1693020.712 663543.6089 1824540.557 1211802.279 1783695.428 1509245.198 2785672.469 2481190.873 1014355.176 1251701.743 1039751.984 1173205.064 938230.7197 1057551.332 1419078.081 1886141.026 1834637.321 803680.5153 2056001.754 1920700.287 2023491.951 956636.5842 1867105.048 978791.6185 1769250.271 2617098.489 3273676.051 1306086.681 1196670.626 2010676.016 1779604.12 2598880.072 902644.5766 549139.8475 1763668.596 719495.1321 1669024.956 445456.4945 2646830.414 559807.0657 2071448.562 1797003.047 40888.25267 45949.81591 1869946.485 1595616.126 3874764.147 2412509.236 1763730.091 1165225.982 1022872.77 1791160.984 989645.3363 1675823.035 3016686.632 1244298.753 1506782.561 1789894.727 2464792.939 465191.1947 367283.2807 2128545.119 2368537.969 2014421.181 1094660.803 1153353.853 982454.0785 2845766.246 1054712.435 787166.6418 1073832.281 1891996.191 2235344.212 2097692.53 1834322.871 2643357.359 756681.6559 1341765.982 630162.4613 1840086.858 2015779.648 2411305.64 5261537.118 1820261.694 590588.5928 1282951.489 2925778.584 940342.796 1043367.283 1944202.471 1341639.928 1666333.569 1299793.711 1507366.348 980259.9982 1059908.325 2071950.619 1484353.156 674978.4434 3378261.487 824581.8019 1662774.512 2492924.128 2081484.942 4170251.905 2788512.146 1243419.466 809524.4839 1442615.665 1030867.104 1383422.391 1513995.615 1257172.148 1204898.355 1954485.138 2179552.881 1824878.727 1968352.098 33113.0584 28756.36217 31539.01052 30699.71527 26755.79897 PE(18:0/0:0) 221630.1222 115269540.2 208503527 205234014.4 99997999.88 78402912.36 111601055.2 92449727.67 86003484.15 89004460.74 104829819.2 85239227.91 82120688.42 85356947.45 99054537.64 90662338.78 85066197.15 81651080.62 74434273.48 95359771.51 85777791.25 80363325.43 84017467.49 71316963.27 100185302.2 202270709.3 221637000.1 82189197 70118984.05 79869208.79 105120210.1 93886989.83 96082942.48 63766277.63 54469280.16 86548803.66 91338612.05 52008734.71 75903144.93 60538313.72 83338869.53 83636336.67 86749835.26 61946120.2 93161483.74 113529243.3 73160099.74 90304809.28 217740077.7 244473491 82515071.77 108918669.5 67184321.15 89133411.75 105936513.8 89988645.28 80694496.43 104859052.3 116704206.2 128707158.6 108867525.2 76263199.48 77436947.87 83775790.12 60115334.8 147734874.4 75202475.27 84461875.32 83537979.09 93253171.95 93266219.93 225561417.8 258836131.5 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104839355.4 99602111.35 110295507.1 100612486.9 121520560.1 77908347.72 67000806.86 73274528.98 111683325.4 77606945.49 91867186.65 244878838.8 236690771.4 118082047.6 610196.8532 312105.9787 268522.8352 196897.1495 127622.5814 PE(18:1(11Z)/0:0) 37774.12281 29308061.28 29038860.47 31076947.34 15437827.17 13638917.1 16710294.15 25191291.34 16084463.63 18787715.92 21377491.18 17311692.62 21071491.65 14007524.18 15105206.89 14838097.46 39419178.15 20125765.75 8750042.068 15187519.98 12150892.06 18358058.25 14051922.84 12519387.57 16440947.21 27762431.44 33783467.3 12849686.7 20303276.86 14003753.13 29662414.79 12551165.33 19525654.46 10125404.5 10351973.56 18330886.93 11149698.7 8432005.989 15902096.54 10627205.27 12528153.67 14041271.38 16088667.72 10820747.88 11630713.17 24552577.65 12815657.49 19919772.83 29117790.43 35888506.44 18209077.95 23691406.98 12978170.45 21432345 16550641.21 15192394.52 15333232.44 38592013.64 23031535.67 39829625.69 30700375.4 13616915.15 19868456.42 15307973.1 11292142.39 26299109.28 12056598.66 17058887.79 16764100.08 12317933.67 17588459.2 30940967.47 38672074.99 11989757.85 10890757.35 22924239.91 10512673.08 14215891.16 22291795.58 21899631.14 22348378.04 10202156 18069374.93 16168326.73 31033928.11 20522111.27 11106315.94 23441065.31 27676308.12 21656688.18 12296199.24 33953225.21 10745598.56 27525545.92 35263901.04 36236.09337 38275.62234 26905410.74 32863430.03 19167967.9 21795158.06 15166992.2 41042866.35 11355577.83 9575020.28 9447455.23 18294951.46 19362871.96 11193104.32 14174743.9 13781301.1 18314642.72 8879018.794 7253047.731 34806693.09 30923678.01 35965713.79 27261591.33 22879784.08 14286555.87 30237411.88 9234873.821 11171160.52 16200379.19 24659228.66 27753446.86 26504100.71 22294405.66 13331590.07 15704846.78 16082601.97 4954017.838 27294586.71 33279237.71 16621800.5 84590001.05 17977209.31 12776198.33 14668016.88 26326483.48 9632050.265 15767862.8 20622522.75 28722228.87 12365779.45 19673739.59 38215273.76 10953635.2 11145895.62 30196038.66 29666151.25 22547326.91 47187771.05 14016124.06 12130170.79 21573934.6 12484950.58 29756073 38470568.4 15520549.19 27256374.1 16302860.99 12534180.36 14036888.92 19079712.65 14307417.95 16193001.23 22703141.44 31720973.04 38347525.99 30097009.68 33720.83963 38626.35277 38492.38089 33735.58263 32659.44874 PE(18:1(9Z)/0:0) 47571.51222 4427299.989 3155707.852 2976631.41 2819547.228 2436614.878 2261518.629 5522123.773 2808891.539 2106915.623 2333659.892 2037476.004 3059346.775 2149664.687 1782970.57 2887683.405 3654794.974 3727389.538 1587866.132 3909298.162 2366127.744 2274022.452 2578994.127 3310111.949 2642759.147 3135732.521 1672150.262 1168284.983 1597787.983 2529312.35 3058824.239 2749020.02 2300633.72 1730573.197 2254732.129 2002350.826 1885762.228 2187157.016 2086459.177 1821076.276 2422022.421 2118693.543 1480045.735 2140249.754 1989201.18 3308877.678 1751029.418 3789438.76 3300365.05 3400565.678 2674462.398 5918266.955 2284757.976 3513245.941 3098154.006 3181574.062 2662861.073 2899714.335 2840512.38 5094730.353 3137115.017 2601085.377 3199760.064 2189061.409 1646652.047 3137380.108 2344908.452 2327853.194 3027815.439 2829400.642 2829152.778 3083794.778 3376198.03 2478888.433 2238821.512 2307245.472 1772485.365 2893719.285 3304620.156 3934152.517 1518130.716 1973000.92 2703625.568 2138260.774 3201906.195 2376055.61 1084386.897 2634533.778 1404056.2 3021447.925 2139288.033 3298711.51 1644961.81 3008219.146 2898151.405 42816.25776 44870.54343 2757829.844 2989765.578 3132179.409 3582493.779 3770732.879 2605759.035 1303323.389 1324610.493 2556109.441 2092887.041 3205888.5 1565265.623 2019587.899 2112893.381 2257537.104 1007109.929 658077.3151 3901654.657 3305734.163 3607732.533 1005430.472 2160885.152 2454551.665 3059039.407 998858.5543 1364281.58 2593768.139 2679836.275 5445064.008 2266242.649 2697667.562 3074695.255 2390652.946 1421697.875 725253.4541 3064810.483 3252138.975 3149401.527 10377300.03 3705275.052 1893592.715 1859740.239 3329559.41 1895957.734 2046418.971 2974407.585 2543888.458 2321525.901 2077209.256 3182938.307 2728054.839 1508497.418 3630766.484 2709392.846 1943976.911 3747156.703 2000385.034 2264257.16 2025443.05 1534989.179 3576428.237 3354342.265 3099483.781 2191365.737 2496917.184 1826120.231 1521291.435 2614185.98 2511671.081 2436948.621 3190151.996 3139959.51 2978968.407 4484217.619 52462.16073 50134.13328 43849.70689 41595.60002 37535.72776 PE(18:2(9Z,12Z)/0:0) 34036.62793 50926397.77 30831817.48 31522172.44 48311602.72 36941310.3 35558314.81 58359549.63 35969021.7 40437615.04 45424665.84 37199766.64 51940128.75 21779142.52 39122991.02 39734361.86 71520809.45 41881634.43 19397968.82 34653625.92 31287993.42 37307761.58 27920020.74 35119088 36158772.9 28852671.63 34760558.65 27301711.2 33167062.05 29900621.46 72527075.08 37687683.19 39020134.4 24690076.92 22785468.19 52013720.62 20916206.07 17339825.29 29377105.24 27538760.03 27812682.85 46363908.21 36028195.44 27952287.07 29618962.49 42053970.88 23108742.33 51870304.11 30434363.91 36247946.31 55860705.79 63232522.15 46971079.03 50127659.39 26383283.91 39277142.04 31905947.37 45414674.05 57611783.47 57519177.09 72626178.88 28133257.89 38352060.7 34291336.19 22318147.62 52373880.64 34371353.96 23459181.97 35486639.01 25678678.42 34064877.37 31673424.31 44063028.2 34622759.95 21276786.01 38305603.67 21310440.9 40135851.34 45537425.4 70145505.06 37155291.86 17297203.04 31814485.49 35947350.6 60436623.95 52289724.07 18207050.33 47127725.08 55787403.45 48417910.94 21067143.62 57375911.91 19402586.28 27601167.34 35654697.25 34955.19428 33360.36086 28830655.52 34242078.05 54405737.28 57815779.15 49524791.9 71242188.55 24142224.46 20993004.37 25334146.89 40220184.76 44935515.91 33484007.9 29017275.5 37910147.57 31175615.08 16273957.7 9949482.269 44096167.43 34639008.11 38591794.74 54476930.58 50350054.98 33105183.15 74076778.24 17839246.84 15156088.77 27806671.81 50353549.66 74182913.35 41043591.16 56576384.68 28209991.86 26495976.01 29597658.28 9159834.181 29539493.26 35379369.45 37101099.07 227132306.9 31771442.21 29663271.78 47449464.31 83822526.26 19253632.23 28659867.25 68570609.63 74201999.3 30407484.44 46120570.6 129711723.9 24867237.64 29407328.61 32254991.21 30903145.26 45038008.64 100414001 31715062.6 26843550.53 51579045.16 34620184.44 63939545.56 77282659.12 32792117.68 55451269.45 49193593.83 24670300.9 35720943.83 37272855.32 37996090.7 23544827.14 39730885.06 31570239.91 36965369.4 52272137 33421.93868 32857.15259 29306.73773 40715.29297 36276.90659 PE(20:2(11Z,14Z)/0:0) 37082.56927 32526411.89 33301221.45 29022509.66 28310123.99 19890702.73 29758082.89 23345597.23 22121566.21 33169383.24 27326389.53 19745042.75 27278444.89 22366117.7 27330929.45 30621172.66 32090129.37 15550660.82 10325801.87 23307295.29 26071065.98 23493672.2 27328781.06 21253612.99 37363714.07 30807686.86 31716089.48 22208122.26 22085247.48 17036738.42 45030954.42 27350145.1 31257724.42 17977158.67 12396358.31 30322584.87 23842412.33 12695521.18 21636304.75 23750494.29 28760187.58 20344971.67 26488905.62 18707735.51 21511402.3 29059063.51 20091589.74 26780328.79 32970570.49 34756483.98 34250523.89 30994947.05 25390350.44 27488964.13 21537513.02 22794247.83 19440898.04 30367572.15 49767326.93 40691304.38 47195073.1 20497611.23 26802075.44 25110912.4 19769531.68 31108242.03 22080742.8 16534112.18 32535479.14 20162750.25 17166423.64 34744561.9 36459372.68 30539089.77 14665542.78 25214000.75 15724428.31 22763576.32 23136401 36238001.57 24472535.08 18490964.61 30282736.91 17994786.6 34643247.47 34625135.18 14627526.56 29861674.68 32206090.79 23313697.65 16946299.23 48185399.51 9092766.72 29590352.36 33426153.79 41302.61168 57448.42012 30435949.22 31266060.66 29684547.21 38412534.76 34127213.62 61160303.56 18741534.18 13152952.19 20914169.37 32037902.2 28864998.13 20606801.77 19824426.62 26955580.24 21596646.09 14102863.52 11203505.16 35397037.04 37216948.03 35247728.57 30847306.98 41750901.5 15967758.68 41561835.15 12281960.14 8542752.03 23043401.85 29377608.7 43898857.15 17491988.77 36014893.54 30600489.56 27337711.28 24425753.96 7357786.424 30315143.91 31157310.27 44116494.54 91992715.71 37761773.31 21398750.59 33741218.04 54691004.33 20477187.06 35715451.91 37384945.18 36568772.37 13424702.94 31684181.17 36496115.11 18707180.35 23033709.28 35371275.22 28516890.19 42575835.26 33961098.81 23036584.65 12993548.68 21554061.1 20072607.61 65740934.49 53724210.23 29011400.06 32435342.85 45673837.48 19957925.11 25424623.42 24990361.3 28002721.68 27777433.37 26890468.4 34889177.73 34261130.9 33299641.52 36471.73089 34542.32177 36435.19972 43569.24936 40226.66891 PE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 24014.85318 299051.8079 459665.6082 524183.0609 193577.115 200867.3605 302179.4734 357285.3002 145312.5004 321187.2476 363648.403 163538.0476 440417.9722 288150.2728 95607.49186 122805.9214 391303.8332 117012.7025 32716.12089 106727.8365 532689.8779 198051.0614 208219.2548 203383.1495 256056.2972 456512.1855 569157.4533 72613.3889 73080.77902 133965.8171 399918.1045 55320.07013 158917.1659 331778.1608 41506.73562 217995.5259 31747.31018 80033.21468 154792.1938 157749.1509 178595.9296 49453.98734 187076.4706 59016.58486 146367.4617 602182.7187 257588.4233 166361.4275 434664.0897 568322.6397 142745.8461 140223.0673 63431.4052 208102.0872 126281.5995 227942.5011 232183.1383 586773.2908 290299.5748 1598160.641 488743.0453 147571.4788 155806.4022 590243.0603 168662.0563 146220.8097 170938.6453 588248.8673 277734.783 207844.3081 94450.73612 519047.6259 562151.0217 389350.8965 126883.5826 224806.6934 177361.3636 215292.9369 572013.9373 166535.0691 177964.1346 492320.781 436443.2671 663548.4705 213504.0881 226579.3647 27385.7848 248070.992 69449.3168 144610.9124 173114.2827 529454.9069 34813.46909 396781.8108 603949.7093 26022.14765 32998.31187 391441.2265 478633.9306 471527.8697 384021.2613 303295.1176 426923.6005 84615.39677 34671.73523 153075.2607 267426.4385 368144.6693 118652.7334 222550.3664 236913.441 121485.9231 30495.42166 49879.91061 471724.9486 499597.6493 661409.0864 104090.0733 267404.1064 52223.72409 280806.1815 25673.76442 101329.6776 239888.109 393181.9791 601681.3639 32991.31646 517928.8875 337807.736 785219.6612 166896.2627 120715.6364 489969.0727 572123.695 325840.5317 834877.791 401547.0948 114331.7347 189368.4849 212865.9421 116076.1082 367020.8906 507805.2088 245019.254 73834.70095 79222.39832 88575.05795 85124.72282 138945.9455 483331.0592 714107.0512 260008.4639 457227.355 112551.4067 54622.11072 107300.2768 176712.7835 468174.0193 966997.8412 366768.7715 132248.3606 277135.4613 213920.1136 136459.6777 179206.549 130861.9254 174029.5551 128889.1358 518851.133 518252.3961 317549.0314 26479.06132 27398.61397 26474.18505 27113.27464 27296.58104 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 30931.97711 14811632.16 11226707.61 12595383.41 18502250.54 14324654.5 33099933.74 29186824.92 18909707.82 25702667.1 30547387.62 16413645.36 19939498.07 21009181.31 25305200.46 9609806.992 15946640.99 14883924.07 15612890.58 23398542.48 27929052.84 14555637.23 17216196.97 16872354.72 22387977.89 10473748.22 14664442.31 15145155.01 19733275.33 18490061.97 16074397.37 17091973.06 12542661.23 23440268.91 10710584.95 14032157.91 13520597.74 10937024.37 22212257.52 12616773.76 22261699.37 14027952.21 20354201.09 7943951.249 18415156.75 33903194.82 13803008.47 22556922.47 10488026.93 14835041.39 13805592.12 17943769.97 10866880.91 18752047.51 19374233.11 17194628.29 17769668.49 44973240.54 21597196 56628217.91 25377120.77 17388715.95 19618291.83 38652445.24 10759710.03 39393925.37 15649556.03 42413173.43 14752142.98 12642934.41 17385319.27 11461374.68 18211332.98 19571674.22 11854082.35 18303991.94 12931674.35 12291712.95 26719902.09 18291127.49 21222117.49 19887867.14 22906005.88 73758841.9 14151494 28744530.95 15176841.45 17639320.45 14474740.31 20664560.3 23472005.29 14915798.08 8854336.004 9771505.467 14573431.75 31766.75643 30317.39574 9871202.151 14815763.21 14433194.86 22959788.97 24219922.62 16648421.86 12409484.8 11262926.07 11321161.54 20713553.67 17729635.47 27070330.42 16599937.05 15415522.27 18650744.92 14557533.23 11900393.23 22016707.76 12421930.85 15375785.15 8445404.477 24303925.31 16160890.75 19301058.87 10853416.22 29198785.01 20273715.35 15013261.57 22408410.69 18732558.67 40202548.39 12815681.92 25994587.93 15859978.32 15945300.58 10767617.53 14447426.31 17767900.23 32097082.74 14828288.21 20067272.51 15859901.96 21158461.59 12886486.69 21088946.07 36034472.71 17532705.99 13850470.81 14029493.51 17512298.28 14570476.85 18504311.46 11587146.03 12833808.91 21199045.27 27013696.37 15918620.88 14887785.94 21080046.7 20807686.57 20522942.76 9991228.232 40957414.83 34259759.74 20217628.64 16141235.91 11839922.54 14904059.83 22620188.16 18179490.55 13541369 11442231.03 15088358.24 14306422.56 30373.35673 29860.0876 26633.52381 25746.27803 32967.90876 PE(O-18:1(9Z)/0:0) 49906.32098 1565271.971 7990794.494 8150626.307 1429142.759 1061472.345 1554400.076 729387.4897 1671741.168 1379259.254 1818107.978 961273.6778 1017143.856 2175167.947 2247684.088 1516786.108 1109280.976 781983.6953 881726.3133 1479096.732 1234464.83 1419150.223 1320532.357 1171313.425 1735299.769 7674121.404 8098004.135 1518033.887 1515091.386 1008382.297 1177687.725 1474266.262 1545314.428 1162623.316 753743.953 1274341.32 1723889.461 970829.538 1161014.276 951289.8676 1197533.795 1201869.172 1979950.238 621899.6015 1352400.225 1245295.451 1258084.681 1578130.885 8252559.861 9148905.171 1272673.885 1692421.41 676470.0862 1725976.728 1968449.951 1695021.738 1069377.613 954707.99 2313028.189 2865569.904 2255133.065 1075249.169 1233704.611 1255833.589 1276981.684 3080724.866 1182360.162 1086163.529 1536349.045 1036122.615 1645480.02 8259573.873 9779354.785 1829913.815 950789.847 1300849.154 1018648.383 1024817.303 519488.4096 1811120.507 1315975.683 1708277.703 1495659.597 1247661.709 1093168.846 2258373.713 1158463.772 1536544.332 1404911.329 2175969.34 1747343.24 2397001.744 992014.3283 8040521.345 8482541.021 44685.44282 76566.15173 7173348.935 8213767.702 816880.6278 1675066.468 1091786.618 1671245.059 1558676.036 457090.5094 1785133.131 1568216.485 1049626.529 429213.7526 842434.2407 1081406.046 672251.6358 1341630.129 1228647.179 1641667.04 8406956.944 9165430.636 547513.1846 1208543.626 912324.0308 1111859.428 824705.729 680697.4468 1542523.725 1107265.388 1461609.601 583915.963 1041101.742 1701233.013 1443358.898 1480425.463 427968.851 7642279.241 7991905.695 1794757.385 1945103.304 2080985.894 1974295.801 1739656.708 1145823.538 997561.7098 1241513.762 1397547.411 1531394.985 855067.1655 1656386.058 1377944.64 765144.9644 927336.0817 8109397.908 7560031.416 1686499.04 1643809.808 997940.0382 1014864.745 937977.582 1412403.629 1387715.773 1149345.925 1933836.222 3167111.396 1673554.965 1582657.166 1049405.582 879475.0037 1584133.944 1381178.479 1753550.506 8668128.253 8909105.916 1627879.842 47192.88806 46711.75416 55894.083 50369.88768 40338.10483 PE(P-16:0/0:0) 41591.2682 2822500.819 24715332.09 26570941.31 2193216.716 2005066.47 2238599.374 1933686.586 1747382.494 2210554.801 2350511.956 1776755.083 1670515.679 2690118.772 2137503.021 2827006.502 1742631.517 2009429.011 1223034.994 2185179.505 2129414.96 2303107.792 1986706.193 1778116.557 2339614.308 23051602.92 34727032.13 1806817.575 1826235.302 1703982.715 2411880.797 1859840.3 1805876.843 2968596.45 1866903.635 1861203.166 2318531.837 1300885.702 1563957.804 2112172.394 2277491.015 1452170.198 1742944.096 1192382.083 1939879.905 2317565.739 1495271.04 2625250.56 25242372.78 30864376.05 1943836.446 2206232.11 1293705.719 2836587.648 1997047.02 2533137.749 1870919.58 2100935.405 2707304.042 4884667.899 3061831.09 1824847.352 2334069.631 1838994.36 2508160.106 3658467.987 1527630.843 2013284.815 2181890.954 1746711.461 2176112.065 27900203.71 34110885.31 4234548.049 1216630.546 2166784.305 1380142.996 2009311.468 1265516.422 3461259.867 1966016.425 2379938.148 2068211.264 3992797.814 2548962.839 2670613.183 1467849.469 2524118.288 1727371.584 2373330.156 2347679.467 4011017.878 1248131.443 24231985.85 31794732.34 34674.45735 96698.89968 23383858.96 27686779.72 1601535.179 3195915.59 1554445.973 3218775.168 2179075.775 569129.5118 3094044.061 2724262.428 1553733.362 961489.1362 1135491.823 2295198.72 1267634.669 2313545.775 2252741.993 2443650.022 25447957.77 28984380.58 1181639.251 1769626.492 1749463.323 1735519.76 2046595.647 1395587.047 3130044.71 1792035.351 2144774.521 1122177.135 2029618.922 2535425.142 2648783.876 1921820.347 771154.2264 22342533.22 27894443.79 2371900.127 3449496.902 2279100.663 2122118.062 2002600.86 1560725.079 1500158.027 1687011.04 1815353.791 2043275.751 1728195.062 2347393.041 1968678.992 1908314.264 1956389.509 26111105.48 24793178.36 2305617.546 3089821.168 2260308.297 2152572.434 1374103.108 4102120.79 2351339.563 1826167.223 2735965.167 21339104.65 2105010.196 2434975.14 1877268.527 1613578.835 2181218.646 2276460.415 2149117.619 26599908.47 30203818.57 2880575.614 33196.24431 38973.52703 47978.17315 38099.95152 34844.72026 Perfluoro-1-octanesulfonic acid (PFOS) 80594.5893 16917129.37 3863924.477 6821048.903 11344226.64 2820542.474 5035993.008 11720717.17 5580419.039 10616988.32 5443237.213 7133732.47 5891424.248 15508424.63 7493707.75 4208722.181 936870.2439 11800579.95 3562107.916 6289040.45 5444767.199 3763104.698 8811714.355 7799014.763 8360898.636 3710529.991 7251353.028 6023146.925 2887442.177 4166925.923 7132066.233 1286935.281 6568530.539 2404459.968 6479763.555 4517881.153 2496587.757 5864083.877 4184302.998 2198136.431 18947763.32 3564925.392 3169773.453 3398111.702 2365338.23 20309595.69 4150774.613 4958883.356 3981907.673 8207918.812 4995491.373 5203773.427 4441588.534 7314279.863 3053277.176 3299624.077 3135174.335 14630676.33 11953143.68 8153983.142 10803500.9 4581798.256 7285900.414 2505483.729 4202790.013 8482258.753 2415895.351 6665259.743 4675719.048 3829338.812 9792534.116 4004239.267 8385760.439 12738127.79 7664443.521 4870750.657 2615180.652 7377579.088 2704360.389 11753112.28 1858806.697 5125832.104 6444906.802 2614360.51 5838520.148 4480478.937 4460797.43 8187205.781 4424137.695 2381952.555 4974188.923 16993125.34 1887399.67 3377041.476 8109771.109 47011.48765 54971.27428 3615328.624 7426342.872 32538321.9 13447925.61 4841965.543 1009451.376 1787304.049 5404273.805 6105654.028 4088277.159 6708014.03 17029349.44 7817548.417 4902192.244 9993847.529 3680261.064 2222986.469 12970189.24 4674315.515 8156953.763 2181567.833 4652298.104 4531579.46 17839547.16 1977655.829 41131191.25 3778718.419 7532981.406 21636802.79 16428411.98 3727880.118 4373143.229 9618716.302 7684210.785 8498666.66 3902294.419 7853498.784 11702190.67 16190557.57 26036568.29 3589090.142 5465444.777 22788819.89 13263456.95 16655319.87 14381028.95 7295181.064 10111509.57 3490729.171 13030489.81 5165351.619 3917004.291 4308409.785 7097385.217 6994259.377 2540460.998 4910191.536 10110562.16 13566353.86 3826506.687 17932538.49 9820719.343 10733973.54 7065076.453 2402623.672 5689347.545 4674282.791 3900879.145 3529651.876 5083505.334 2113997.294 4077530.994 7769878.138 18998692 70163.14266 89142.53094 82124.85777 72462.74936 79416.96191 Perfluorohexanesulfonic acid 26161.31065 9391292.489 2650154.892 3533761.995 14270812.82 1951635.446 1709784.492 4218822.004 4590867.649 1139154.558 3589055.754 2338358.064 2588286.247 5534301.067 2318111.88 1722034.958 2856525.198 4551814.865 2304653.052 1684111.471 1100965.622 1681019.337 3655489.015 4425780.698 3892896.886 2611644.997 3825150.859 3148886.588 1438156.753 2584437.467 8577369.969 2995800.135 8548977.612 1536303.664 1713020.564 1980988.235 674341.5491 3683333.617 1939832.019 584596.4014 2943804.212 1424695.36 1654631.959 1390160.761 826854.795 7042313.086 924092.8151 987767.754 2778955.34 4450778.678 1963604.919 1976672.529 3149090.864 1869517.075 3199203.316 662403.2596 561551.0915 1408447.611 2848906.917 2299327.335 2990186.471 3839582.952 1717472.38 1278363.035 2094898.417 2829348.954 860984.4947 4251543.132 1053016.435 2399911.958 1540067.465 2944159.048 4397418.328 3151002.5 3831385.996 2181472.014 3430377.736 3701621.043 886544.362 14740874.46 736098.8495 987729.7247 2312049.001 1411112.58 1192539.875 970050.6899 935379.7097 2183876.631 1636833.58 2960803.091 3551081.283 3055926.046 668497.3851 2640295.295 3863844.642 25027.43172 26499.36796 2648455.751 3914321.507 77569358.43 2264529.919 3183477.809 484994.8196 662814.3792 6014886.387 1768915.772 1024621.638 1681470.507 8172277.302 2395360.718 1445931.656 3429111.973 850708.2336 3181851.432 4094697.047 3394972.258 4556050.553 3352426.694 2172800.878 2648066.793 6126219.466 736297.3017 5816503.215 2073312.568 3715884.203 5695219.494 2123244.332 2070208.954 1601081.298 3746895.374 1122455.798 2738522.195 2659008.191 4002472.408 10970367.17 4634910.547 4653759.557 2145607.811 1486477.392 11215602.61 2406209.926 5251791.46 4109525.071 3612710.772 4224940.755 1185324.265 8980815.599 2849474.539 1286521.635 2974048.384 3607316.47 12361096.01 2118405.495 1190525.871 4506153.158 3422156.376 837707.2452 4288645.2 5398844.938 2030451.719 894988.4192 1046022.507 1862732.394 1271417.37 2349956.235 1199434.564 3292566.524 1836321.498 3113330.777 4426308.494 10468852.11 35273.59844 25635.23992 25209.98532 26873.94595 23410.47592 PFDA 21650.39589 229778.3608 117870.4415 129357.6689 124519.1393 129054.5061 206895.768 469214.7677 183359.4395 183595.604 184542.2308 217375.5468 118478.6578 223869.9154 209252.0592 180301.0897 33322.04738 310014.8098 109925.9964 145561.9663 201328.2288 124271.1789 493535.3307 124952.1106 453183.4805 79321.87793 142805.6586 97042.32965 66253.76987 113177.3807 173419.7916 52775.90048 162599.7345 79408.54804 106075.5999 126613.8424 129314.306 111250.9493 78009.00594 127368.2612 304634.8056 61090.22727 92733.23732 61915.83188 111515.6393 295990.0186 196172.4386 160538.0742 94825.35091 141500.6563 129452.5347 188371.819 178806.7169 206290.7098 77763.52542 148966.1007 120792.8001 176759.1546 212779.0202 361634.8454 230000.7002 32662.24302 211480.9864 164708.7821 132843.265 221651.0762 75207.42775 171255.4574 144261.6353 182172.8423 158255.1073 112838.3099 149176.5465 232007.8996 183515.8643 56777.65349 62930.88226 190334.0172 124226.6353 118152.2146 129393.4144 176942.6058 185825.7147 81758.34582 128555.21 152716.1965 171776.231 128331.5308 132744.2814 52216.79568 93727.35573 239980.1686 67732.36898 58124.32022 128437.3523 21914.23846 23859.45281 74248.99478 163653.2075 96511.1615 265572.5317 200620.415 59076.16698 75717.7794 200756.0642 284167.4731 286358.5448 218461.6282 407741.3452 113318.6005 167971.9282 423235.315 148597.3382 117400.0094 331569.2761 95463.71524 182706.7701 49192.15047 206440.5002 137514.0003 431862.1456 84624.10528 523722.5841 133403.5763 210173.3026 453822.4615 229737.3643 158983.2008 116939.4899 178405.4555 218219.9589 289786.788 95933.94519 146670.8522 287244.3403 227800.3005 356287.3909 66069.66689 195827.2399 271274.6582 488378.5698 350516.8627 355899.6553 259959.1836 135683.5449 155818.9259 138870.9973 136543.0043 131751.1689 81710.50563 151377.1886 209613.8853 181599.3713 458804.2109 109528.1641 278943.5513 148442.3021 300918.2613 170536.6723 542135.5075 187535.8173 135923.2503 291088.0375 149099.2688 130303.1141 113927.7603 118736.638 168054.6121 101109.4325 158829.6025 231306.458 22112.4293 19616.72761 20993.06879 20071.76346 19879.13101 PFHpA 30731.5036 197129.8836 1260506.428 1073632.894 47777.57836 47325.21947 76506.08484 121459.5373 54657.05554 34669.24573 191997.3993 64587.30407 35332.6347 60127.23186 185578.351 33083.06748 36001.85897 110145.3019 75056.01263 75911.20328 35311.61975 110147.2136 25832.49113 39704.44344 47343.94308 1242352.423 1149468.746 49491.85966 37604.63163 77655.0171 291239.041 55130.05107 310401.1213 39091.51782 45953.95923 58304.84524 46169.33239 29282.65101 40373.37208 35540.73179 51185.19364 72611.31582 57027.21091 46738.46278 44861.60662 54541.01373 41275.37015 38883.69123 1317213.431 1228085.939 46924.23281 68889.36427 39499.50358 114531.3768 71345.50069 99778.54879 56554.61339 38968.65473 97430.73248 103182.4442 184478.7982 39781.83915 121709.2519 97389.81747 52385.04146 105339.966 47260.0533 285172.5593 35254.01762 94300.19923 46189.54564 1229920.641 1106409.33 103265.3695 55868.71415 43897.38645 30082.91878 57929.86707 41734.44512 92874.62627 49416.12684 33437.54317 40246.75554 40693.01278 39970.42086 42361.90199 103569.6828 40496.16409 52981.03143 41711.53592 55324.62685 71569.90019 53794.06267 1093820.162 1102906.201 33862.80759 32950.67402 1144410.947 1162774.738 40114.45717 77960.81069 120504.8171 35085.52897 44272.01869 46270.48628 68091.08155 58039.96999 47983.20445 101248.3135 35968.70382 35957.09547 62295.9127 54589.0161 46487.58655 47266.2142 1291151.192 1216443.687 42040.63013 34366.3255 57343.35829 85152.75578 28183.47608 65121.38594 35018.27505 60086.06858 358943.7236 89128.3584 36223.41097 37142.53572 81681.10094 41782.35222 42478.7846 1145459.146 1094884.085 81643.35258 83242.08931 32688.4662 151395.8137 38711.66858 71777.92141 36981.98851 38814.3346 93817.32248 31408.59557 34724.64979 43231.19912 88992.38279 34394.70471 42097.61352 1317095.26 1097136.359 52423.57648 72146.96244 40641.42088 35032.30987 93799.37952 44867.46961 60358.09503 246050.605 110762.0545 90199.32998 55705.04692 37851.70065 32511.31579 118781.6926 69434.41787 78628.23713 46950.84884 1148062.214 1080470.911 165246.8556 32987.71596 28705.89054 32676.3473 26105.30214 27613.96427 PFNA 36328.57999 810695.5842 304820.13 465861.4265 898914.9099 585816.5226 536475.3391 2216884.018 648121.9421 463066.3729 923004.7362 883266.9495 460181.4562 1246189.106 856488.0301 648622.3684 175082.0158 2016765.985 438229.2613 508486.2032 420658.6752 334904.8121 1263012.749 682060.4816 1284898.98 227733.38 443774.1648 466984.1663 265419.2964 560008.5295 833571.1079 187793.8109 746205.959 279788.8489 462007.0408 450171.2405 307088.2442 722218.6989 346061.3399 228493.5927 1091344.552 277705.9323 398342.9252 265493.4917 312682.0857 1543942.218 443247.7289 695288.5024 297019.7066 465750.1673 394850.7618 847364.7902 1416825.721 880277.5772 302070.3317 842643.7768 721652.1137 750941.527 1230477.003 1184685.697 1183451.78 461161.0452 857385.6238 684820.1696 407301.443 991318.4043 315179.8668 1108749.018 458446.7145 668971.4303 716203.1393 279684.8346 507551.2808 1545171.359 918525.9621 464804.0482 249596.3856 835978.2689 221290.0999 997347.4706 467697.5764 481894.0042 848775.1344 296632.9899 847818.2715 493726.1655 607434.0145 606273.1322 428089.2293 217877.9659 418653.7721 1182417.727 203487.52 254447.5323 570269.7767 83479.73839 118037.4544 320398.0998 468813.773 473561.569 1068225.388 947683.1382 193863.1223 285045.6282 656953.702 939996.2981 732478.0473 974828.2266 1136605.338 498101.5736 613566.8262 1130334.654 398306.7598 411518.2562 1384743.418 444615.1651 560378.6571 514757.2794 712824.3422 669378.704 2022869.044 278345.0304 1668246.295 449455.9726 989249.4246 1718316.449 1078198.984 673617.1672 338407.78 558028.0501 952933.1692 860346.1662 342637.5273 453794.7178 1114558.015 873680.9243 1501296.717 490989.8034 546375.7004 902910.1039 1038943.305 859223.4365 1009414.309 969277.5972 521893.3767 524466.5441 896278.2872 757571.0469 500513.6383 389736.2469 255880.485 755928.9483 693821.4657 942620.4617 514390.52 957147.5751 365061.5224 1195615.044 831205.0389 1232035.05 887660.0711 471234.3105 944234.5416 490748.0253 584593.1927 588747.2265 554087.1116 590237.1465 350963.7811 536156.393 890755.9168 42952.2341 37568.85858 45555.89476 31487.3924 40909.13866 PFOA 312422.8402 3795011.209 1247366.432 1502917.814 4610240.221 1773594.553 1941991.056 3453570.802 2502784.062 1762080.198 3380637.516 2210616.765 1392831.958 3597818.44 3096466.772 1504824.038 788604.1201 3604805.127 2127245.759 1238299.712 1022759.169 1260649.109 2348398.643 2000678.789 2205964.842 1109183.272 1775293.792 1646545.633 920953.0297 2533002.735 4357153.211 898337.8075 4033550.429 1285287.137 1207843.896 1650581.447 858027.2982 1721161.61 1184630.323 814659.1799 2880026.439 1519269.285 1570790.283 1367368.896 1594095.49 4614079.151 1432865.644 1613603.638 1347393.846 1684303.47 1908406.421 1822313.191 1623375.028 2728749.475 1768297.632 1191781.578 1022246.509 2223824.38 2902919.39 2835523.552 3774490.777 1873000.799 2668470.709 1511943.718 1358171.148 2747245.737 1023207.148 4213284.631 827717.1891 2470161.212 2005479.961 1360575.482 1822036.026 3146698.386 2091823.685 1389574.34 1103253.167 2015393.811 1684812.307 5141795.097 1297086.467 940848.4886 2144229.413 1278009.555 1719223.484 838870.2474 66476.00836 1688143.186 1750430.122 1222199.312 1888100.07 2857194.463 950818.9518 1253193.757 1636286.121 351776.6913 278638.0106 1092499.182 1620968.001 2234885.352 4954879.55 4229297.283 661108.8829 978312.1884 2932797.009 2090547.592 3255919.784 1867090.187 6028571.906 1778447.671 1119064.227 5713919.029 870078.5408 1502926.523 4118664.448 1386505.433 1889225.084 1627310.989 2773611.995 1757313.435 7401451.82 1118353.784 3743684.841 1022410.245 2744975.152 4578258.155 3097763.151 1071649.743 1346321.216 2026371.509 1821302.985 2026412.938 1243521.185 1674126.622 6316462.793 4910471.218 7064238.152 1983331.55 1178147.618 2677278.189 3366006.661 2418126.94 4006644.27 2686829.154 2372628.301 1306678.897 3370264.931 1873222.284 1744244.37 1345528.304 1626545.111 2245113.993 2078866.036 4068416.246 2435140.777 4138316.022 801658.3238 4725432.453 5891972.148 1368984.061 1676425.237 1501768.507 2088062.856 980258.5368 2260687.27 1753272.349 2805812.413 2054670.983 1251357.616 1830053.735 4100701.082 292550.4292 282609.4149 257636.5964 241124.5564 271314.033 PGB3 49755.83875 1057266.807 2023421.7 2217503.276 1111004.363 1239356.651 1028137.617 753451.5374 1303065.155 1114308.055 2614967.626 1728079.025 624680.6515 135079.6061 1285673.709 458776.2166 1160920.981 1424193.248 816730.6737 1180210.909 716166.7513 1251593.082 2280023.697 1166295.385 2027042.469 2032701.943 2303196.557 848484.2408 747480.504 774072.3254 1222236.206 2144626.958 1096937.683 623281.7246 971203.1944 2037155.195 825581.1325 1883820.356 1005247.222 278111.0607 2290344.823 1139144.005 856313.8359 1001957.79 721889.0555 2433102.237 979148.6971 937785.5172 2036629.733 2448941.263 452177.7434 2004620.198 2230014.411 841563.3932 2095428.039 2059715.276 2094499.489 75445.69648 1184358.963 2713512.339 1536676.911 836196.6065 1367528.023 988797.8773 874259.829 1190301.89 606471.0324 2327494.51 733966.5352 1671594.039 1355061.077 2004533.218 2813894.093 1300867.846 1460354.109 1136991.797 1320007.829 1244798.509 1349173.685 1288337.145 629826.6352 868023.8008 1144750.557 1071825.628 2273984.559 1030477.849 1340423.796 323341.569 1292603.527 1114553.01 1251363.607 2419322.269 1350912.627 2097378.374 2752063.027 70797.64412 64377.03202 1959045.59 2342009.484 1198499.438 655446.9584 1092423.831 849901.6072 1098201.626 4053613.231 1432119.036 907343.3848 1493578.374 2158372.956 1602218.033 2288913.283 2304476.427 773599.186 581428.0348 733691.7669 2626975.873 2323424.501 1847504.664 1307161.731 1073848.372 1285532.561 871948.1912 5809917.859 936105.9467 1036501.409 1047536.579 3523703.069 760961.5578 949857.6142 1105521.03 1264124.504 2251027.949 2084419.622 2683510.1 992597.1382 3027949.127 1598000.404 1210120.409 932374.3405 1396114.989 824249.8676 913973.9496 2454047.144 1446081.133 2126785.632 1649863.902 1707881.296 2349588.139 992022.8986 2378728.127 2448042.877 2264136.779 889254.5583 686375.7431 2235786.538 3320242.213 435660.4147 2783827.47 2073282.16 748931.25 996645.0185 1553803.713 1004184.534 737670.0629 1400273.134 960561.0405 1158142.458 1085176.359 2213637.058 2333994.893 1192186.018 39466.56764 49486.97773 58612.46186 40591.21264 36347.82028 Phenylalanine 270122.8024 165456087.6 205275776.6 214509896.8 217989681.7 216823486.5 114631591.1 200028539.3 156295648.4 131147105.5 238297450.2 177364442.3 203837174.3 261903085.2 148510157.4 205645317.9 180156159.4 253999485.7 108924534.1 178730316.4 179590923.4 187617113.6 199144287.9 231871315.6 165885429.2 197417263.6 209138939.6 156930512.6 144967111.7 207680290.1 305943466.7 176676362.8 14432594.27 210511827 231605358.4 228108825.2 170516441.7 171451004.8 220500708.6 185145255.5 189145579.1 148226655.2 147364204.5 232384242.5 183830721.5 250966622.8 202627993.8 188814344.6 207179313.4 228991132.9 232906015.4 138761335.3 175944767.8 196429217.6 173758609.3 216786010.3 222627947 199988017.8 208480448.6 270296528.9 218640645.6 229926434.6 307410766.4 154768120.5 209011994 137130198.1 12122006.89 2988347.599 238267702.9 189370719.8 192433379.8 15071511.16 224336831.1 278473994.2 164982947.9 149833443.1 257608036.9 216366822 225671949.4 194951072.5 120313607 6412663.96 207789646.1 313985607.4 209459209 115826380.3 175212348.4 189571805.3 194619278 202758378.5 133176224.1 233722797.4 128428356.6 191280318.5 220161159.6 385553.3289 382647.7437 190630199.2 210615912.2 207241143.4 171671288.5 181861871.1 210151920.4 192795410.9 13836866.09 168242515.1 162571094.5 185105508.4 144013722.3 178865418.1 280167334.7 195332155 187916946.6 132470204.3 190764297.2 205680228.5 229874169.7 164851751.1 183315179.5 155923316.5 185352911.8 220264842.7 223139133.2 170426104.6 229437723.3 175983152.5 148939265.2 172814107 201451066.4 190010431.9 204265088.3 218694678.1 198925407.3 220090795.8 6457513.296 221371864.5 222715657 155638464.8 174664504.2 206762748 175779889.7 15089407.45 191487728.6 4946208.588 253084147.9 196092823.9 168398257.8 196489777.9 189409755.2 225600944.7 201285878.2 213197071.2 270928268 209486641.6 232793248.3 163056738.6 205108816.5 238941005.4 229396873.6 185875941.9 4709060.289 204527013.2 187361864 206044906.1 195471639.9 190416640 180807386.2 205312482.9 213295021.5 216535185.1 198363679.4 379811.4464 376213.2128 316750.198 340477.8426 348989.2355 Pseudomonic acid A 39704.60409 496602.9914 495617.6803 464645.641 127084.6481 177885.7319 93449.75026 1172147.49 235111.6691 464661.2695 1048163.794 408993.0897 300540.0517 379347.4548 487855.7235 319194.0339 320774.3037 1728030.222 165166.1911 113782.7475 506114.9084 1845455.382 90859.83627 244742.538 42704.96367 425850.1827 535007.0028 150416.7264 64619.14877 540855.9966 1525633.137 369266.8293 934544.7417 207147.1251 228076.3147 530327.7233 130246.2582 43976.26375 106028.7383 319489.6246 590916.6859 97079.63414 294066.294 177456.3766 127764.6109 539736.7173 878581.1241 386398.9349 464164.7395 564547.1474 604355.0195 927454.4658 294596.4629 421943.5569 583179.8253 144371.6042 214626.9505 663619.9093 228069.1308 799223.4366 247366.3081 397677.0705 454956.1833 292906.56 1190253.781 222599.2702 158302.798 1378708.648 88747.08693 406199.4499 98967.24734 516252.0955 581604.6374 353309.3463 115460.9792 569326.7496 125698.3123 220947.6996 405068.9205 253841.1124 238971.221 298296.8798 224978.6962 132548.4521 422302.2882 237681.0457 121384.3392 951259.8285 226031.8598 165063.978 79712.47942 448304.8274 59292.4213 479227.3406 498373.6516 56495.72997 51372.15317 385292.2217 486726.6091 170077.335 157065.1437 432772.1086 366451.5484 304309.8827 553798.6296 442288.0644 140654.1576 315158.4551 342277.0732 278095.3152 203543.2692 390647.7491 283548.2612 44380.6801 159416.168 530661.6347 574944.0855 177525.9381 298653.9827 57101.94101 574194.0735 472726.3549 733622.1297 988767.7704 334347.4069 912248.868 469842.9434 372674.9113 473172.538 355157.3592 553831.8818 325993.3136 485736.6397 534072.0176 209708.1036 1269516.757 414172.1615 340164.0137 280797.0469 383001.8997 361916.4428 186691.7016 400063.4288 249701.2039 378933.4497 239216.3677 864736.7225 68751.56722 395345.3742 501948.8978 384934.5635 377074.213 357448.3056 180478.49 212947.7973 168137.012 737347.2824 310863.301 479102.0045 307366.5127 247249.9007 475872.8993 497083.4785 259766.5899 716346.5036 243350.171 214205.1242 232292.089 460815.1086 501029.1751 499344.8764 31493.88057 39490.056 33448.14651 26843.16863 30827.38023 Pyroglutamate 761706.5605 12841365.81 43590974.32 39362642.93 11945166.34 13071166.12 12515529.99 19202821.04 10974787.14 12694712.44 10094119.29 10714031.44 10017365.55 11747377.95 10468946.45 12610016.8 12433178.51 11265704.7 12382872.38 15885633.39 8909283.707 5949421.046 12830134.77 10292037.08 15019092.3 41707747.35 39427315.03 14550324.5 12201160.82 10618465.67 14248882.4 11457542.64 6780137.848 7506649.748 15047257.53 10921454.48 15478350.22 11455374.49 8848823.023 11919789.38 9407138.468 9678354.519 7172950.723 8378984.922 8427045.401 9257028.361 7140880.75 8872132.484 44411800.83 37737499.98 12851102.28 17976083.31 8645770.182 10496775.84 9700987.626 11511050.67 11073563 13876170.28 8033448.122 7542163.877 6697198.841 13631854.41 12600452.49 5690342.636 7805274.807 21069718.22 9986682.385 13040421.74 9673645.779 11061426.73 10218106.14 42692353.79 41423005.25 12268614.88 12017858.99 11429259.97 11549790.26 9899083.675 8876561.311 15628798.85 9074363.397 6861010.465 10048004.34 12416714.86 11046896.45 8637549.987 11764479.27 8188673.949 9303952.519 12622008.9 11299616.46 12487217.67 15313782.6 37338605.93 41117251.43 2165897.939 767286.2757 42310875.35 40153182.1 11899287.6 15149802.45 13939159.28 12846050.93 8984482.846 9054689.722 17566381.72 11663355 9833279.254 9492110.895 7852896.334 12938415.71 13878349.73 12226404.17 11804320.6 11867223.47 40012381.01 37062499.5 15205895.95 5849305.308 10385471.36 7266557.831 10919880.37 7426136.5 9172112.284 13459175.82 10011172.31 9000653.886 9439421.327 22935812.58 8407942.796 11433706 7605617.237 43761666.78 35917509.5 7466531.529 11932643.22 9532843.582 16130195.07 8897263.84 6307009.667 6395025.886 7725636.44 9839094.39 10893878.23 12082145.35 9255162.826 14872224.6 12157494.72 5889161.478 43577994.5 38477217.94 19997953.32 9166493.947 12458475.15 9910147.202 8666660.636 9422167.455 11175322.64 6998810.566 11113579.34 16117488.45 13606436.37 6127526.069 11108297.18 13587298.39 10099164.12 12344937.21 11173890.12 35907708.99 33572508.3 11026607.22 665692.477 468817.8713 895629.1084 648148.6629 1255727.271 Pyruvic acid 2867865.677 45147525.69 48231038.15 16163082.81 15270260.95 22969255.37 5655560.868 32237622.86 36969369.79 31681458.84 19787932.58 39281950.33 34382964.76 20261854.84 17001530.29 27454262.36 45554377.27 32939463.94 15983843.56 27998186.96 29952528.46 34552871.93 6642844.215 32808951.86 7774608.882 48758210.86 36996228.78 10306136.35 19298702.32 7618913.881 9449372.535 21129356.72 21046913.64 31945499.31 12691592.93 30255629.81 29622870.33 26727669.71 19818565.48 22447876.95 23574610.44 22546891.95 13059117.02 25158242.53 26423687.64 23473779.63 14761472.64 30647922.81 50407736.78 22205910.83 15612313.32 20936982.22 45787401.13 25924753.34 29323765.43 19489366.08 20403003.72 103124521.2 10078456.87 15928173.34 33295407.45 22709495.03 28043645.48 40946933.72 29866315.3 26529180.7 14436844.41 25153215.64 3882295.655 16177686.3 18651364.43 48361040.09 34899477.78 27298647.15 23562290.66 16812710.15 23697302.47 62703031.72 25781935.32 11438435.28 17736837.23 21645371.11 26904441.49 49566332.82 36171956.13 14623498.26 25892770.38 21261022.12 14750751.21 17084987.62 6792351.528 16841434.95 23143337.21 44154423.64 35780346.11 1582211.383 929056.4949 41029613.87 34527040.84 23995992.7 23210881.76 13910695.31 15650264.39 26125217.28 20382674 22923227.22 22609820.04 8580336.866 7106307.1 8379201.924 31916116.81 15405145.92 28205029.29 18168795.73 7260054.921 45190716.36 42616377.66 24603432.37 11754096.59 21347446.93 6084584.152 23453577.79 20293301.35 12305153.87 21458797.22 23980999.58 15054687.6 18797225.64 19888001.21 16418976.32 23584837.89 12957303.96 47830294.7 41028403.82 8622726.552 9819015.244 12075634.84 13445715.36 14572515.99 18542814.98 20291884.15 10386760.76 8463450.731 9301171.093 24107141.16 13394996.13 13490339.61 18392474.98 10313369.84 44166765.68 36866816.86 29460330.12 36778192.93 14528040.47 10942711.56 12058195.61 34706220.55 12277411.47 10971198.88 19069692.96 22884543.33 18708031.42 17627174.93 21655896.59 12179893.38 22579053.96 14990302.81 14041960.45 46222794.72 32940325.74 34405951 1481119.845 559417.2948 628837.8028 1336917.569 677167.5389 Rishitin 39651.03329 1225136.036 2526616.112 2003800.169 955000.4683 2589540.334 1619779.615 1736456.619 865694.2155 1454092.558 545168.2991 2800948.461 2393039.762 328141.1254 1789945.535 1458677.688 1183348.071 623524.6195 831439.4839 1913696.587 2479397.537 1923539.869 1523774.383 3641692.262 1674427.347 2216176.809 2034380.847 2481073.709 2068759.018 1801257.811 935461.7809 1237017.712 1314437.168 2147399.473 912194.6348 3235026.879 1348492.343 1558783.682 2822877.693 2364037.575 1643745.638 1230818.606 2923732.77 1323284.735 645420.6917 1632996.133 1638398.795 1287497.445 2310058.91 2365321.759 1459248.286 424707.1808 1826459.802 674419.6875 420957.0575 1685726.983 744750.9002 1808008.481 1003084.754 2118629.545 2501558.458 5187359.899 2127924.448 4199881.248 1497454.238 1335284.346 1556744.055 1035530.494 854329.1659 1205782.502 1188053.001 2427943.644 2364086.426 1343738.615 350621.5211 890119.6126 1681546.554 867900.6161 2512983.352 1451378.538 2199921.97 2210351.897 1792660.605 984505.4136 1139493.991 2395866.566 1046854.021 2535491.568 2167029.037 756830.3138 1232183.639 1830770.251 717183.2372 2203830.527 2142672.097 40134.24065 43696.75098 2179631.963 2071752.233 971227.7912 3693594.919 2461819.537 1782645.237 406042.1803 1282021.259 1809938.225 1091674.673 1534982.287 2948912.275 2825605.693 1798833.199 1352142.015 1802945.975 1872936.035 1734210.46 2655858.973 2233747.016 1359995.314 2461476.784 1457284.23 1883842.121 2028100.762 6447164.147 2556044.619 765560.6697 1148918.964 2051829.373 9345063.915 1989516.49 1972613.131 2066553.01 2627703.25 2142339.458 2186437.028 1112574.951 947925.6489 735114.3825 1022454.191 3204401.024 1078502.971 5508674.558 1479483.677 1952302.581 1188596.131 1169481.485 683729.7047 1162120.189 1602445.348 1843419.953 2876395.361 1863394.175 1424195.754 2299467.003 824771.8829 1423808.586 1212402.083 2356668.285 2724208.183 1243395.695 3590305.114 2196040.255 1924021.842 1684570.528 3247186.518 1439970.187 2463494.789 3100015.986 1654093.686 2456186.094 2171519.013 1189244.468 40497.21192 46673.20697 39113.53194 36759.88953 37272.37673 Stearic acid 564110292.4 3795937685 5344336115 5849283702 3180580796 4616491067 3922395117 4176901124 3005040718 4174772666 2311584285 4672213933 4006947400 1875404470 3520673019 2544428359 2943750672 2449040047 3118689313 2108227791 2336610988 3065593466 3047256902 3884715253 2518428523 4871156795 4823670255 3159893608 2857856615 3175081352 2083782714 2822728610 2197869880 3004990875 2044883054 2529769989 2528030288 2721722814 3353405153 2966265240 3427013123 2204512233 3908490344 2492041925 2187355110 4478204602 2999674422 2681234935 5562695067 6084191735 1930798184 2648590947 6660709200 2903945711 1993998278 2758923221 2873544880 6012874550 2921192542 3362940714 5007200006 4879753476 3091468086 4891663457 2541437423 2732461238 2889470584 3426019233 2391625910 2553367333 2429776307 5642286111 5539725883 2889257220 3014886706 1941937939 1958145856 2589931968 2959606630 2880990707 4879824224 2599209875 2437586522 5607613709 2314499606 2556111664 3043564903 2177286367 2422367156 1768631337 3294426370 3047963839 2209658924 4290787577 5748214143 705044081.1 417733943.6 4382001316 5128481026 2977525174 3530045479 3952809144 3323298501 2441687385 3389812166 2789625286 2682352478 2804253741 5927707628 3456307779 3266736420 2069746437 2998719030 3720648549 5098264274 4921399397 5601664226 4625414179 3482454879 2356436625 2671556171 2757300768 3815591874 2622893080 2914591344 2884401272 4385035481 3388872456 2969498150 2795074103 3554720256 3630860024 4978660540 5671299657 1861088987 2015990814 1602656898 2782304987 3378310685 2439444868 3779835049 2247079142 4400156887 3248352827 2503492713 3362496462 2539362796 2172122286 3522783969 5596555139 5188623268 2247083023 4142601172 2296096125 2433808091 1785954685 2948657659 3321675414 2920095177 2270140897 4033710379 2694097882 2315304778 2450929068 2507763493 4030535842 5032539726 2809369758 5456561636 5283301267 2769765488 376678409.8 380462941.3 372948280.6 385391381.8 376853402.8 Succinic acid 5454560.069 9499828.041 35960440.27 38729275.81 8003956.578 9143109.429 6222101.93 12017857.34 7033447.196 7814561.845 11383058.83 9891209.461 6915320.583 8924815.894 10949705.66 6511208.75 9290213.513 9940724.097 9339018.989 11704132.52 10828607.75 9812217.611 9153565.152 9060795.722 11692084.16 28691864.13 31431440.96 6091136.469 9926976.718 12005870.15 7818641.448 9461914.458 7091002.537 7005597.371 7952731.316 7569700.114 6602750.54 8583380.645 8006347.787 7640537.029 6038158.114 9144809.531 7491739.672 8108944.765 7472002.642 10478059.57 7945682.203 10005129.56 32095687.7 34118561.1 8891319.181 8385854.604 7934564.252 7507104.509 10262914.12 12571012.88 8591602.549 7000515.725 6358515.052 8459954.548 8429323.889 8808599.336 7849130.177 11399159.4 9086501.951 9372511.898 6515724.237 10368087.37 7542334.045 4614733.082 11589601.63 29061028.32 25636674.91 8809789.497 8682693.199 7762872.416 8954835.561 5738636.009 5582833.862 8394489.808 7443560.71 12932605.67 6548707.9 6293770.033 9152787.962 6767002.999 11262798.3 8960977.209 9929133.418 11512261.11 7764889.212 7173823.856 7123414.713 26086382.22 30988728.33 3185190.54 1631465.774 29862629.94 33630526.91 7165983.817 5021351.424 7401832.393 7585820.157 5703994.138 4680444.879 6750676.902 9184232.154 7375326.595 6626214.008 8257001.483 7201150.507 7403821.767 9823340.052 9275846.027 8448445.416 23781800.09 31080273.18 5581406.201 8344081.343 10394207.31 8675312.322 5575741.652 11730581.49 8207894.021 6049145.663 7634913.741 6624297.765 8127223.108 6126053.23 5898027.697 8866411.968 6459263.228 25957344.52 32607596.23 8112942.972 8860535.788 8686278.962 9304937.279 7102844.98 8238445.315 5851686.918 8148541.435 7987482.496 9958512.819 8329484.132 7904094.342 6932342.045 5468171.57 6902172.703 31219083.89 34830592.48 10168808.09 5754155.89 8809685.929 9190219.797 8074192.395 8682300.264 7215829.542 7403312.373 5869613.823 15221550.2 8905303.347 6121207.896 7664500.363 7733159.486 6469054.454 9859982.123 7713499.586 26238510.19 28936620.61 9748016.661 2694856.119 2915837.742 5089486.022 4402401.416 3296613.131 Sulfoglycolithocholate 35197.06671 9952571.742 8108946.963 9676106.283 13765638.36 6071892.444 64418402.6 41615115.43 3035591.617 19032284.59 7667380.407 6551558.383 5424436.365 36213635.41 11038807.16 6657204.615 32466091.89 24474011.97 4630354.1 30756152.65 9861580.143 21718189.29 12221687.02 11874036.18 9536622.189 7533388.597 10622619.99 3417264.198 16786480.44 5941882.179 4837170.889 13848013.65 9556322.076 5482894.885 15890877.88 345923.8885 10608199.24 8692139.287 17776099.59 7149763.153 5389357.565 31210602.56 2075465.762 17204169.76 10407961.38 10417659.28 2352042.594 5713736.537 8167210.366 11392352.38 10412194.41 7589427.074 6183272.129 16309085.22 11122732.67 106515002 37340184.7 29040736.75 10462561.05 10148505.13 3433477.953 4528222.339 16806352.22 174047.2027 19753162.36 9032720.585 4432898.923 157309.6937 4988190.58 4824047.339 63267356.43 8092218.083 11420553.34 15409180.27 12097692.86 26176108.12 24158282.72 4413725.035 836561.9888 3618428.461 5411635.012 23493322.81 1100932.192 3696897.3 407701.9866 18177609.17 8756473.719 4491846.745 4252784.98 6827294.604 6471338.197 11862844.43 14323488.49 7326002.837 10409772.63 42893.31041 42753.05131 7057246.642 10158905.91 2947498.427 1476632.872 2639573.775 4878893.829 71183128.74 2782081.058 5510529.252 4861760.519 7382536.094 4795212.601 5886998.386 156384.5263 4606768.399 18728495.84 25903375.18 5240215.601 7840458.409 10816635 1823958.255 9852901.8 3762747.015 5017545.943 28754495.46 8886255.219 20192494.49 1536914.133 5142118.729 2078318.418 6404976.18 4184885.142 7402966.62 5565162.189 2656849.61 7447893.689 10305409.47 3339921.247 5177300.337 2944091.373 11728319.79 11942900.82 5656745.026 4360993.967 4557364.02 8721353.348 6358542.693 3967006.245 2084082.592 4330935.06 287738.2142 2539524.866 8501456.246 9264852.581 4125051.724 3491288.131 13053026.83 4204775.831 17048091.67 19281803.9 3665177.962 15028407.61 348801.8989 5277999.577 22547724.99 419125.4329 10520784.89 4505454.517 18642340.71 4188592.105 11109314.48 8221383.8 10862854.33 10646475.15 55372.90321 39352.9314 39431.21481 29665.88721 42125.0022 Suspensolide 45138.89853 3770329.784 3990920.062 3211182.509 2320499.109 7237638.807 10073985.33 4686945.264 6106958.377 3868542.165 3143658.492 7951297.186 4849783.397 3352803.39 9125607.231 6944573.424 3211131.746 5778058.971 5022672.973 8003245.328 9985701.329 6121910.18 4178485.433 6428935.319 3590228.356 3884643.922 3418869.357 6552446.62 8879569.46 3616966.842 5314791.372 9808719.594 9381900.013 6905774.712 5335044.49 7871933.685 6872576.473 4055797.136 11240397.62 7678750.113 7046086.387 8274512.1 8980446.528 8308832.06 5854599.308 3473321.55 5074406.904 4228985.514 4327840.846 4091062.543 5359436.749 5872711.058 9413770.255 2747796.722 6873831.744 7127057.332 8631253.487 6026330.347 3923264.947 4268408.515 8935716.253 9166793.483 5484779.509 11322937.41 3756775.923 8753678.402 11159688.73 7410027.056 6768232.408 6607145.206 3938164.754 4509026.807 4986049.048 4666076.13 3414806.828 4673853.443 6508834.655 5029608.942 6561125.298 2781764.189 5258590.463 6375326.772 5606655.893 3322429.766 4465034.471 11890907.91 6685888.093 3822009.087 6141023.121 2037526.073 9240636.131 2846340.47 4882811.834 4011220.351 3733929.505 39645.42104 37208.84574 4007104.7 3678353.499 4485192.509 5306684.735 10525840.07 6395712.993 5235115.717 4274926.569 12374603.55 6188250.242 5254885.325 6271038.194 7668124.243 6341879.688 5727360.481 5607532.037 8600075.902 2321473.751 4762224.198 4764114.796 4770393.126 10027748.53 5188055.519 5667249.989 6268737.253 11900793.13 7893233.669 3617631.142 7655342.559 2279927.901 9386736.957 3949402.416 6345725.362 10841132.94 7827350.566 4513093.405 4148727.718 6834894.709 2497316.672 2797842.54 4912127.713 11637183.32 8277014.242 9184832.345 3786987.735 7495114.552 6991143.873 2103924.381 4853074.418 2769584.427 8216656.693 13335326.79 5039051.212 3634513.921 5352996.048 7655145.827 11793790.99 4928568.114 5078577.083 4389189.669 6671735.536 2798601.285 6699521.153 15341626.23 8637717.991 8625370.981 10585119.89 7374188.268 11722582.43 7322278.418 7252275.367 4633515.403 4123549.259 3780526.966 46727.39547 39578.94602 43527.06953 40594.39719 36774.18312 Taurolithocholicacid3-sulfate 33886.13843 1959346.067 2026410.136 2387177.86 4121122.876 854016.9813 9541092.841 3792200.432 264758.2498 3343425.123 1331089.223 888414.8083 745365.2039 5549630.854 2953162.485 1056659.835 2010909.441 2307240.75 2461509.643 4149325.219 1718190.739 4430223.884 3711995.805 1677086.537 1004436.671 1925508.593 2623035.589 668642.9971 294258.2083 2016378.503 1242367.032 2538962.071 4452846.701 997578.6373 1705218.456 51057.28688 3372278.872 2075200.802 3812116.353 1952035.793 2277671.54 9976514.572 262442.304 4829355.704 1135673.518 1489561.21 669359.3376 387103.0897 2094627.619 2960358.134 2048181.429 1579660.545 914895.3747 6181055.677 2861647.757 13691345.32 8465379.36 5395497.471 277308.5477 2672043.598 473725.8844 970789.8129 4856559.436 44908.60061 5853975.584 752021.1582 718047.6924 44107.56867 5445699.355 1256913.597 17559144.29 2138239.56 2987644.332 1385160.396 3753938.136 2327324.349 3931107.161 2053322.569 93332.28043 1017725.506 941058.8362 2666319.276 110043.1265 511848.5754 49854.3441 5211580.575 1820325.928 228592.2514 169654.238 249206.0608 843781.2421 870593.8596 3220509.539 1779417.51 2806610.443 46862.94637 43162.38934 1811103.275 2540605.512 513607.5888 399312.6696 544730.9211 272102.9527 9431839.817 3687365.196 1317890.919 1375037.547 1310929.065 3645609.628 1335589.172 51375.57642 1245546.506 3387646.989 5785022.522 1397918.305 2164312.011 2853567.738 700053.8948 2643013.348 528665.2246 620342.6277 3120886.333 4099800.914 3941765.015 638335.211 2180361.355 1903872.993 1676159.454 1707762.056 3591966.321 1105866.014 1794960.893 1975626.044 2745251.861 1086543.821 711666.5097 647517.1202 1918461.735 4348600.183 1456126.186 963332.3691 2675012.215 3951536.864 3704470.231 2109302.252 95607.70044 401585.0372 60151.01948 786215.9134 2151861.827 2441895.001 1193397.401 254155.7402 1382125.568 2025152.557 5337752.49 4188064.602 2599296.907 4193899.313 54467.97807 682449.4607 5009153.952 60430.40429 1255196.113 495050.7126 2678304.514 492120.9216 1544555.848 2030469.489 2812956.964 1889179.016 40254.7653 28506.10877 32205.15979 28150.59867 35785.26546 Tauroursodeoxycholic acid 31675.88459 1352508.436 3714724.335 4107175.452 545836.3265 1074809.683 67211.18841 227922.6425 31033.93403 222568.926 829830.1181 344805.4477 364469.3536 359353.8096 330981.7233 813385.5011 1077692.181 331428.3564 2548954.178 663404.622 643739.2667 3989865.609 1702458.584 680910.4949 353923.4141 3287428.059 4016685.863 746694.2185 43784.5956 400510.4936 712486.0054 30690.99406 1337987.081 17394555.54 326327.9225 614879.2247 1925939.849 506018.3282 240386.4923 461168.3832 571582.0331 4538462.741 129850.2716 1421020.089 560964.0474 595995.5636 411380.4792 135561.5334 3520154.539 4298825.704 1117784.422 2233141.926 297827.5263 802824.2153 2068328.566 505342.7888 982380.1638 313171.4324 392553.0451 533138.5411 178652.8127 555283.5208 1030547.97 175161.0658 6611309.096 308643.7155 161134.5967 2212362.808 995325.9943 937913.4233 1922814.391 3626137.06 4897266.965 470101.676 373510.2067 4082948.263 516689.365 2525134.151 1304383.406 8161352.981 4820944.126 279307.7955 43739.63088 1107299.284 1333042.307 913055.0011 101378.0684 829823.4688 246471.3307 788499.9448 303016.9676 2764530.814 444716.9131 3419341.429 4094064.923 27820.87783 26111.02933 3233527.664 4087525.522 198665.9469 318135.9849 91589.85434 77185.06017 724095.1273 1141080.937 2955747.337 76919.65856 131347.7924 812788.0273 718858.0657 615279.594 651780.8945 10606131.25 3493821.856 389432.06 3844230.596 4625891.874 3924472.906 327132.8475 183079.9265 99207.5777 191015.2202 1418233.493 5258084.712 427092.8636 181655.9799 2462764.903 976975.935 319600.1456 371398.1749 323643.9003 179276.0955 3482768.119 3913969.399 275427.0995 1216242.992 263352.3839 172493.894 1243502.938 917655.6487 1097447.33 562561.8626 436666.0122 8099850.264 2834180.925 91817.84678 343375.5386 1016049.206 44937.41622 3808617.838 3738371.086 3203828.223 105583.7107 62241.74328 5279362.472 5625747.515 1707631.753 682901.0267 1407849.661 1437945.137 114719.6517 653481.0484 31067.54455 324147.5628 682095.5578 82338.33356 208762.0344 338038.7458 3557809.235 3946189.93 1398829.182 28396.10429 30401.00257 30544.79564 24317.19725 28768.00023 Testosterone sulfate 35342.0394 88581772.64 135546634.1 53276074.53 57562666.72 35418226.06 41431233.53 10884024.19 56376859.23 24657163.53 48644653.07 66416500.68 127020875.8 32451906.86 121582599.7 123273643.9 23278908.92 6436743.656 42246699.1 45693648.15 56197521.71 40071461.52 46334747.96 132754637.6 54880923.95 127419089.2 58865420.26 82693215.62 58126727.57 51152956.69 42549603.92 31832275.72 25357016.7 30609921.86 71794596.08 154228548.3 41862252.87 129625878.3 86960514.72 44327919.86 40851803.83 63365629.14 180878942.3 98345656.11 135057707.2 120461886.8 101972473.9 107191602.4 130070511.2 61858249.15 152324004.9 148145077.1 297176551.5 20672598.6 58225741.77 101673600.6 128877738.8 15544897.16 90667542.63 28901753 199565754.4 180919418.7 31476438.51 64603001.09 41871430.51 43311369.99 67727092.27 64505706.89 46822122.52 30754661.18 27727959.19 141351794 65898349.65 136315494.6 89422005.66 30155742.93 51618779.9 90811011.38 243263104.1 51078436.98 31291008.11 63231700.92 81857927.84 29147599.46 61257634.93 53868767.76 71773329.45 29756201.8 130687461.5 54643776.71 139241009 40825240.38 31505012.87 126977034.4 62533737.55 33138.60781 37828.07277 125486089.2 57845258.31 25410131.4 110299726.8 233367083.5 79944312.81 110137077 81304059.75 124731725.8 36210886.37 36849423.17 136194422.6 37142414.97 160961721.9 132727593.7 44159144.43 109347455.7 44370760.72 151223359.2 64658175.34 51846526.02 96373465.51 84546763.53 117096462.5 105691898.4 5872106.324 102942038.1 53641664.37 59912195.88 50922280.55 94026352.46 111620828.4 78543980.14 62835738.29 132573419.1 129263081.4 58585681.71 217906269 183873555.4 188929175.9 17472733.22 162355580.2 101684425.2 108638258.6 70710835.44 62257561.72 55608086.87 50477736.61 158918642.7 117925822.8 115994310.9 135461994.4 143315315.2 52910732.91 130213754.4 89013821.64 38137264.75 45561460.72 55899295.45 66197441.86 152621013.3 204409043.8 50307352.02 49527330.44 148757425.4 103200255 178958054.3 34414860.66 122249746 132854211.5 88223099.93 147525887.9 60007470.23 91484687.12 31145.9289 26903.21253 54851.95018 34188.39686 40490.69563 thymol sulfate 39788.67473 4355924.361 12116094.53 12110710.79 96509.69242 449105.5422 5038236.23 5339083.416 24545060.23 25236443.89 448142.5451 3322543.025 4492267.211 339387.108 1104812.049 8312120.848 697641.3514 37802861.57 6840363.045 473048.0577 19492888.95 1096225.033 557938.8988 2150064.446 6130519.995 11931813.23 13895401.45 1120572.256 2548304.511 19140731.13 45633791.8 287940.1322 3744821.422 1604606.361 1270356.218 6040191.79 29167869.98 42055.58627 2290935.33 59438832.98 153437.2061 26634905.89 3745857.162 33430489.43 429188.3244 2364834.206 34804658.85 766767.2891 12856361.38 15350465 539192.1229 26109691.13 450517.4412 1187817.93 1441145.873 6384876.955 2869852.217 250015.9588 248885.8809 24829970.94 6292935.534 55055.48531 1369285.136 735366.3542 3451586.633 570382.5831 2846410.323 4062424.036 973805.7298 237871.2075 1496724.244 14571109.06 15371996.98 7481086.79 4698449.903 5849895.896 67880798.94 10011628.2 11442411.3 3099857.277 3101950.844 18868972.13 553343.9006 1892685.508 14599239.34 638471.8787 2116871.414 1452386.204 313806.1952 1005667.459 458341.3145 1136778.322 653333.9912 12133493.2 15276813.23 51643.54248 55586.11807 11343110.79 17229000.2 3419878.988 7895516.424 861770.2937 2453025.911 1853756.745 6907051.343 5555043.708 1838957.037 9818920.146 101162.9348 8023340.773 7134878.141 637390.6905 661291.122 49087.46906 9251374.746 15742984.11 19445665.29 54911728.51 1895180.199 139667.2033 352232.5292 938969.8607 5818420.826 194802338.7 737718.2564 3458664.709 3341417.623 146545523.7 3587646.349 4472588.395 268083.0322 2142065.523 14427025.84 14161386.3 355235.431 4656880.738 7461813.356 31722750.19 2750566.115 8117588.759 2128046.116 27440032.12 12278682.58 920768.1521 6299802.57 28641852.54 1393527.662 73953.04601 20309813.66 16488787.94 13594364.2 471551.3723 1944059.108 3425984.652 796989.6647 604525.9234 5738183.824 5200447.346 34918669.14 1130240.306 1582769.396 421356.5854 2434118.353 28882869.28 39184022.25 1168117.962 36489920.88 3621566.473 19593712.99 23396390.44 5729268.12 61697.84977 42731.21436 43935.22872 31756.8482 40044.37757 Trans-Cinnamate 236127.1799 3783459.879 4363138.558 4788353.325 4572853.98 4333134.954 2426836.515 4036456.783 3027215.428 2544771.027 4722640.302 3850661.849 4390779.747 5803261.957 2661031.503 1870838.472 3594929.35 5454649.13 1224060.559 3465845.93 3838291.483 3860672.81 4144812.237 3076068.744 3619902.974 4119164.116 4322858.708 3422450.331 3053332.382 4591658.843 6611936.722 3422122.651 3902637.903 4146946.252 4974084.647 4869362.889 3678854.923 2497983.303 4154698.45 3941977.187 3978561.754 3182935.278 2907561.737 4581519.297 3791931.076 4997330.689 4117528.094 3718549.358 4267530.611 4741815.893 5150661.445 2810687.599 3365684.01 4209479.5 3437587.951 4751088.458 4991700.416 4093032.194 4287284.827 6083226.875 4728049.899 5118411.721 6745017.748 3286578.976 4517862.617 2828454.844 4344288.379 4985986.67 5215109.387 4045884.434 3994547.384 3987971.541 4549384.005 5842049.607 3174868.224 3271575.451 5490814.476 4665960.741 4277895.14 4473093.879 2508909.534 3945358.296 4298327.794 6403143.98 4701871.041 2253144.858 3611850.532 3785051.693 4298613.111 3934643.404 2722233.872 5044516.183 2758821.309 4387472.522 4695768.495 337030.4893 334490.5792 4002001.913 4384494.895 4294410.296 3700175.788 3911167.032 4273229.165 3912322.7 3782073.648 3604875.212 3493986.062 3960154.435 3043750.742 3347994.519 5386237.293 3944518.551 3577797.337 2613333.599 3973622.697 4419647.21 5071707.739 3721775.979 4209689.518 3022984.496 4053123.789 4697212.806 4734184.19 3597906.873 4814895.587 3860949.295 3174728.026 3689927.425 3767255.044 3868490.141 4384511.84 4620746.221 4430370.703 4599882.204 4164191.632 4738421.424 4753150.342 3065233.563 4148769.075 4631914.268 3583055.613 3804141.902 4131343.505 3277094.402 5392934.523 3804047.872 3485424.174 3817944.062 3794190.941 4651918.195 3968823.911 4608532.848 5450285.655 4147366.28 4991268.579 3541936.745 4067368.129 5050025.193 4661740.388 3505700.674 3732581.533 4170498.114 4018082.463 4527485.484 4261093.184 3990436.083 3945492.221 4584123.268 4528498.027 4567494.966 3986012.977 241790.7594 328865.8499 276886.4025 297627.8644 305068.0775 Trifluoroacetic acid 41656510.79 293999497.6 298241127 291197029.5 288973848.2 533205811.7 324241904 304597417.6 301750103.2 307767433.3 283455693.4 292546802.7 297835312.2 270230999.3 286497076.5 208529196.1 284347754.3 283958824.1 298924980.2 285127437.7 275942361.4 287235277.7 277165373.6 288244773.7 282105582.4 266122197.6 272034347.8 291014464.7 285118668.9 278314231.1 265215188.9 271917128.8 273132380.8 279680433.1 273137545.3 277074268 292792656.2 283181962.9 275513880.7 274078888.1 280727831.6 283513289.6 275428610.5 271040817.3 281397349.7 240994767.5 282442073.6 277461181.1 270381059.6 269243311.4 286146049.5 267524618.4 261582027.2 268349651.6 271957184.4 262198076.4 263316634.8 253704644.4 277268529.9 259144984.2 285377985.9 269116361 273100041.3 284019555.6 274146995.4 282570116.3 273992770.2 271471475.6 277163159.4 270383291.9 272890221.8 273838687.2 272962568.1 273726379.5 282228653.3 278509707.6 272918769.6 268396315.7 272489138.1 287740449.5 292619735.5 268068087.6 287755117.7 287198499.1 273026021 278125682.7 279122699.8 275155296.5 281614195.2 271172450 264861048.9 275268349.5 289965063.6 276034647.6 276469588.3 5744869.874 32823515.63 272266094.7 277425276.8 279878750.1 273672089.7 273420594.2 275593771.8 277555217.9 273601669 271688106.5 278755612 272714918.5 268666317.6 271300515.6 262212468.7 273419174.8 281263226.4 277278677 276353815.3 270034426.6 263680925.5 253972929.2 278159919.1 273888300.6 268496904.8 276486358.8 278842613.1 280798258.7 270132252.9 274487698.2 269344952.9 271757963.3 274805654.8 279961651.8 276455276.4 278717823.7 268754212.9 266229341.2 289936547.3 283680473.4 269188772.6 275166299.9 269941469.3 282002182.4 276507399.4 285327290.7 290494905 277901215.4 282038909.3 286853395.3 276888739.1 278127411.3 273754634.4 267292768.4 266621397.3 272651858.4 264173843.4 257536379.1 275296007.9 267985571.9 276552343.2 265550821.7 268184201.1 267425481.2 272831288.7 279240197 276725272.3 279612034.4 275103628.6 270132993.3 278177556.4 261821738 262893570.1 268467976.3 283565409.8 7415288.94 2012544.688 4873151.468 1741083.992 2740565.067 Tryptophan 347799.3513 171542382.2 187781506.5 170911208.4 253217452.6 224676371.8 133953088.8 156007361.1 185517118.4 147075739 224785962.9 207681807.4 247789759.2 374729972.2 177904694.9 226378248.5 100755796.6 201532044.8 110381963.4 213174153.7 241246132.8 228235599.6 264486453.3 224924999.8 227363057.1 181518285.4 186765888.5 184505376.6 117421456.2 199424453.7 318192321.5 211281832.7 227847158.4 234789758 268564634.5 316161292.8 181320946.7 187075258.6 192803637.7 218812751.3 242742719.3 176245584 210817900.5 258315807.4 214980806.6 336832225.7 237326514.9 262592573.6 191851287.8 198822858.9 253241051 194459500.8 249907176.1 204068789.6 182071056.6 254197365 249046891.9 161815889.8 273617063.1 502371147.9 266969683.8 262271459.1 202946416.4 218595554.7 228509528.1 184450822 230877023.4 232595839.6 260418575 282779406.3 188297804 196319250.8 199490082 317162780.7 155213867.2 246338918 326978229.1 192073175.3 288599812.8 228111682.3 161863950.6 256963424 201277741.7 265930506.7 265884249.3 161219615.5 187465147.2 210689576.1 222158703.2 261541661.6 137019505.8 332313771.9 161283974 180343017.5 190547835.5 391596.2919 338687.128 170522890.4 177266769.2 213218231.7 218718486.2 246345127.7 196956068.9 219030687.3 259351448.5 151813447.2 233922746.3 258252580.7 172953677.4 133137121.7 260882285.1 239598328.8 198364978.5 107435610.1 196566552.3 201162642.1 201295262.7 199350646.5 219909315 207303462.5 212019448.4 259738404.2 224410445.4 214242869.4 308161284.1 211082914.3 202580173.4 196596501.1 238311174.9 292256456.5 264035486 205251357.3 186851290 192457179.2 283732263.4 367595082.8 253283260 188418472.8 219869503.2 268309811.6 216551939 264328129.7 210218418 224269683.8 246776094.9 205832477.8 216740829.7 257986123.2 196929566.8 199362596.9 178731103.6 279221088.4 316633131.2 220695220.7 247380156.6 268800066.4 194615820.7 301700521 289253652.1 286423726.6 234920031.4 246616335.6 187174668.6 233853518.1 248815646.6 184092114.1 232737074.8 286298057.2 200208793.3 196082711.8 186787070.8 460137.9568 300701.2438 228246.4153 314157.6504 418019.8102 Uricacid 373675.1147 198711163.3 167817273 167479393.5 205133915.3 224373991 225208654.5 202892711.6 164256365 222213840.5 269457300.4 305564667.4 212101175.9 319120362.6 220600793.3 308784530.5 348180497.8 371921196.8 336710112.6 265565108.6 157782530.8 225619922 176517448 382606788.7 174893838.8 159139921.5 166557256.6 169871022.9 202332883.6 418071451 342144895.6 267112448 267761990.5 284265930.7 282355816.1 344066616.2 230558717.6 402672912.1 272884457.1 283728012.4 260767105.9 294181478.5 276639237.9 315227565.5 270331668.6 318237381.7 225492946.5 235814477.4 163569232.7 176667559.1 220826127.4 323394892.4 212185040.7 247715442.3 228937853.9 349790610.2 384353980.2 190020761 137813887.3 291691919.4 234760453.8 312544113 287359177.8 223507681.4 216124441 230318635.5 241422148.7 293828818.9 238591031.8 263549202.9 269187777.5 161898259.9 180773708.7 219106661.5 199796529.4 276952435.7 323978844.9 240556390.3 301405753.6 184545407.4 166957884.3 144188343.5 309685347 212726616.2 99371689.46 193967392.1 231719856.7 294212636.6 178524848.2 292964714.7 473382034.3 272319213.7 187947752.8 159349673.4 175644363 766686.7704 409700.1024 153859779.9 168727997.3 204734349 164890496.9 270944779.4 250173682.2 152107459.4 222116691.1 304875554.9 193148033.2 177426530 234167582.3 284465050.5 198171896.3 201018634.1 218051419.5 190627640.2 180789520.1 153443679.6 171225924.3 145341029.7 169333401.6 181780399.9 216973033.4 276535831.2 241128201.6 227953462.3 244885282.7 199428008.8 184507507.4 238393105.5 229701933 236646167.7 260757012.2 226389656.3 156009817.7 168041397.7 234073238.9 194693671.4 229612954.4 265053508.4 209233934.5 194612934.6 126052697.4 223389073.2 202211514.1 225745348.2 265647253.2 195479943.2 364227716.3 271825468.6 364349133.3 163933383 165305064.7 305296396.2 266373986.2 163275208.1 238114413.4 202421447.1 275863094.6 321320654 315526632.1 209453234.9 232509108.6 270184381.6 266941689.9 247981728.8 276874954.3 265482953.9 142731282.2 239677200.3 159376763.3 173885372.5 201711407 1735023.072 409494.7434 1066877.018 423028.7251 487022.228 Valine 1222298.312 29723067.39 50374685.37 79218524.69 95326504.41 133966073.7 36190767.21 67475300.58 65807065.49 74463424.52 103920720.5 94244675.05 103475433.5 127095790.6 74981269.55 90599392.52 101057737 91351276.76 67998333.74 88408171.81 100780980.7 65829739.98 73484269.46 123850724.4 55661158.43 94229092.21 100949602.7 18693703.53 64119799.6 119456576.7 90308583.39 75651856.4 93079252.89 86494868.13 125878316.3 103087556.9 93282148.78 101794345.1 98504419.72 110289765.6 65421924.78 45689221.8 73160640.5 100166389.8 76510279.76 117493198.8 92015836.95 81134962.39 96256122.59 110185873.1 93895869.21 73137356.08 148260585.4 87791904.68 71826820.17 102531498.2 135478014.6 106160091.1 93001439.39 106701377.4 95175827.43 145072749.7 102320092.1 70824052.04 74331999.43 70900880.81 108928558.8 106657994.6 105416085.6 124359740.2 74427282.96 88962257.38 103359699.6 129827011.1 64077737.54 85374015.1 104335377.9 71756444.7 101762686.4 69433360.2 57126661.12 55472102.9 82829054.19 84033512.99 119067893.6 62455972.03 105003000.7 98094226.09 62312079.28 74631494.39 100291659.8 82344443.5 63220360.68 91117845.27 104110928.9 1151775.05 1283037.087 80235452.23 87628574.2 78937541.81 81133653.9 105524023.2 84389984.33 91620805.85 78287961.99 64677666.49 66585193.22 67925298.42 84800015.85 61995722.47 118605474.4 71763297.12 68550496.59 71199407.62 103204410 84084097.57 99248167.78 128162548.1 60779762.9 68600997.41 81573737.26 102568608.7 60755410.56 53048660.79 117111949.9 43243287.76 61741922.54 62214861.5 77352397.08 78000263.21 72615064.06 66642329.54 78454570.69 95847553.46 90615741.68 86060227.59 95582161.94 80729052.65 79078609.62 66613080.18 91013770.46 70421297.65 83639958.61 81880879.66 105045420.4 64794053.9 71133437.24 105391847.6 98714951.39 92737411.2 91488220.28 82495846.67 135418714.2 73773635.86 101110144.8 53259340.41 75392339.85 129895224.8 119521961 91807209.43 70822380.21 67722068.84 58303711.4 94169467.65 96630000.66 48276518.62 46831740.61 82186687.19 94155089.57 131646504.7 78697401.91 1268310.639 1344066.325 1252674.748 1244670.311 1307293.389 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet InChiKey_14 Formula Mass Neutral mass mz RT_sec Adduct MSI_level MS1_AM_std MS1_AM_db MS1_RT_std MS2_std MS2_db_exp MS2_db_theo (+)-Bornane-2_5-dione Bornane-2,5-dione UDIUFGIXIGLRSM C10 H14 O2 166.09926 165.09198 179.94 [M-H]-1 2b 0 1 0 0 0 1 (2E)-2-Methyl-3-phenyl-2-propen-1-yl hydrogen sulfate - OYNBXMWIXBFNAJ C10 H12 O4 S 228.04558 227.03831 202.2 [M-H]-1 2b 0 1 0 0 0 1 (9S_10S)-9_10-Dihydroxyoctadecanoate 9,10-Dihydroxystearic acid VACHUYIREGFMSP C18 H36 O4 316.26092 315.25364 249.96 [M-H]-1 2b 0 1 0 0 0 1 (9Z)-(7S,8S)-Dihydroxyoctadecenoic acid (9Z)-(7S,8S)-Dihydroxyoctadecenoic acid WBZXABQRBWTVNN C18 H34 O4 314.24558 313.23831 297.84 [M-H]-1 2b 0 1 0 0 0 1 (R_R)-Tartaricacid Tartaric acid FEWJPZIEWOKRBE C4 H6 O6 150.01673 149.00945 315.36 [M-H]-1 2b 0 1 0 0 0 1 (R)-3-Hydroxybutanoate 3R-Hydroxybutyric acid WHBMMWSBFZVSSR C4 H8 O3 104.04742 103.04015 19.14 [M-H]-1 2b 0 1 0 0 0 1 (R)-Lactate Lactic acid JVTAAEKCZFNVCJ C3 H6 O3 90.03177 89.0245 18.84 [M-H]-1 3 0 1 1 0 0 1 (S)-2-Acetolactate (S)-2-Acetolactate NMDWGEGFJUBKLB C5 H8 O4 132.04227 131.03498 22.14 [M-H]-1 2b 0 1 0 0 0 1 [14-Me-15.0]-Isopalmitic acid Isopalmitic acid ZONJATNKKGGVSU C16 H32 O2 256.23997 255.23269 373.74 [M-H]-1 3 0 1 1 0 0 1 [14-Me-16.0]-14-Methylpalmitic acid - FXUKWLSZZHVEJD C17 H34 O2 270.2558 269.24852 402.06 [M-H]-1 3 0 1 1 0 0 1 [2-OH-14.0]-2-Hydroxymyristic acid 2-Hydroxymyristic acid JYZJYKOZGGEXSX C14 H28 O3 244.20365 243.19637 255 [M-H]-1 3 0 1 1 0 0 1 [C-22.5]-Docosapentaenoic acid Docosapentaenoic acid YUFFSWGQGVEMMI C22 H34 O2 330.25562 329.24834 349.08 [M-H]-1 2a 0 1 0 0 1 0 [C10.1]-9-Decenoic acid Caproleic acid KHAVLLBUVKBTBG C10 H18 O2 170.13059 169.12332 221.76 [M-H]-1 3 0 1 1 0 0 1 [C12.1]-5-Dodecenoic acid 5-Dodecenoic acid IJBFSOLHRKELLR C12 H22 O2 198.16183 197.15455 262.32 [M-H]-1 2b 0 1 0 0 0 1 [C14.1]-Myristoleic acid Myristoleic acid YWWVWXASSLXJHU C14 H26 O2 226.19318 225.1859 298.2 [M-H]-1 1 1 0 1 0 0 1 [C15.0]-Pentadecanoic acid Pentadecylic acid WQEPLUUGTLDZJY C15 H30 O2 242.22451 241.21724 351.24 [M-H]-1 3 0 1 1 0 0 1 [C18.1]-11-Octadecenoic acid trans-Vaccenic acid UWHZIFQPPBDJPM C18 H34 O2 282.25551 281.24821 379.5 [M-H]-1 2a 0 1 0 0 1 0 [C18.1]-12-hydroxy-9-cis-octadecenoic acid Ricinoleic acid WBHHMMIMDMUBKC C18 H34 O3 298.25054 297.24326 296.82 [M-H]-1 2a 0 1 0 0 1 0 [C18.2]-11-Octadecen-9-ynoic acid; Gamma-Linolenate Ximenynic acid VENIIVIRETXKSV C18 H30 O2 278.22424 277.21696 325.56 [M-H]-1 2a 0 1 0 0 1 0 [C18.2]-9Z,11E-Octadecadienoic acid; Linoleate Rumenic acid JBYXPOFIGCOSSB C18 H32 O2 280.23983 279.23254 348.6 [M-H]-1 2a 0 1 0 0 1 0 [C19.1]-10Z-Nonadecenoic acid Nonadeca-10Z-enoic acid BBOWBNGUEWHNQZ C19 H36 O2 296.27128 295.264 405.96 [M-H]-1 1 1 0 1 0 0 1 [C20.1]-Eicosenoic acid cis-Gondoic acid BITHHVVYSMSWAG C20 H38 O2 310.28697 309.2797 437.7 [M-H]-1 2a 0 1 0 0 1 0 [C20.4]-Arachidonic acid Arachidonic acid YZXBAPSDXZZRGB C20 H32 O2 304.23989 303.2326 341.46 [M-H]-1 2a 0 1 0 0 1 0 [C8.0]-3-Hydroxyoctanoic acid 3-Hydroxyoctanoic acid NDPLAKGOSZHTPH C8 H16 O3 160.10983 159.10256 46.38 [M-H]-1 1 1 0 1 0 0 1 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid 2-Methylacetophenone HNSDLXPSAYFUHK C20 H38 O7 S 422.23374 421.22646 282.78 [M-H]-1 4 0 1 0 0 0 0 10-Heptadecenoic acid - GDTXICBNEOEPAZ C17 H32 O2 268.24013 267.23285 358.68 [M-H]-1 2a 0 1 0 0 1 0 10-hydroxydecanoicacid 10-Hydroxydecanoic acid YJCJVMMDTBEITC C10 H20 O3 188.14113 187.13386 191.94 [M-H]-1 3 0 1 1 0 0 1 10Z,13Z-nonadecadienoic acid - FLYBGKXSHCVONZ C19 H34 O2 294.25584 293.24856 368.4 [M-H]-1 2b 0 1 0 0 0 1 11(Z),14(Z)-Eicosadienoic acid 11Z,14Z-Eicosadienoic acid XSXIVVZCUAHUJO C20 H36 O2 308.27133 307.26406 389.64 [M-H]-1 2a 0 1 0 0 1 0 11(Z),14(Z),17(Z)-Eicosatrienoic acid ETrE(11Z,14Z,17Z) AHANXAKGNAKFSK C20 H34 O2 306.25569 305.24842 351.84 [M-H]-1 2a 0 1 0 0 1 0 14-hydroxy-12-tetradecenoic acid 14-Hydroxy-12-tetradecenoic acid ICTIYYVVZNILKD C14 H26 O3 242.18812 241.18085 243.3 [M-H]-1 2b 0 1 0 0 0 1 2-(3-Hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-1,4-benzoquinone alpha-Tocoquinone LTVDFSLWFKLJDQ C29 H50 O3 446.37589 445.36862 416.16 [M-H]-1 2b 0 1 0 0 0 1 2-Chloro-1-ethoxy-1,1,2-trifluoroethane - WOKICPFFJCXEDW C4 H6 Cl F3 O 162.00594 160.99867 19.26 [M-H]-1 2b 0 1 0 0 0 1 2-Chloro-1,1,1-Trifluoroethane - CYXIKYKBLDZZNW C2 H2 Cl F3 117.97983 116.97255 20.04 [M-H]-1 2b 0 1 0 0 0 1 2-Ethyl-5-methylhexyl benzoate - INYPVYFDXIKGBI C16 H24 O2 248.17746 247.17019 274.74 [M-H]-1 2b 0 1 0 0 0 1 2-hendecenoic acid - IGBBVTAVILYDIO C11 H20 O2 184.14617 183.13889 239.16 [M-H]-1 2b 0 1 0 0 0 1 2-methyl-2-dodecenoic acid - JVAKNQLSBYBCSZ C13 H24 O2 212.17753 211.17026 279.42 [M-H]-1 2b 0 1 0 0 0 1 2,3-Dihydroxybenzoate 2-Pyrocatechuic acid GLDQAMYCGOIJDV C7 H6 O4 154.02651 153.01924 53.52 [M-H]-1 3 0 1 1 0 0 1 2,6-Dimethyl-6-O-beta-D-quinovopyranosyl-7-octadecenoic acid - RMLMMXWVQHEIFK C16 H28 O7 332.18341 331.17613 182.16 [M-H]-1 2b 0 1 0 0 0 1 2'_4'-Dihydroxyacetophenone 2',4'-Dihydroxyacetophenone SULYEHHGGXARJS C8 H8 O3 152.04722 151.03994 30.12 [M-H]-1 3 0 1 1 0 0 1 2R-amino-4S-hydroxy-5-hexynoic acid - HHGQBMHJPJMZRN C6 H9 N O3 143.05814 142.05086 27 [M-H]-1 2b 0 1 0 0 0 1 3-(4-hydroxyphenyl)propanoic acid Desaminotyrosine NMHMNPHRMNGLLB C9 H10 O3 166.06284 165.05557 29.52 [M-H]-1 3 0 1 1 0 0 1 3-(4-Methoxyphenyl)propyl hydrogen sulfate - LZRUJECSWOAXOK C10 H14 O5 S 246.056 245.04872 181.32 [M-H]-1 2b 0 1 0 0 0 1 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid WMCQWXZMVIETAO C12 H16 O5 240.09963 239.09235 50.52 [M-H]-1 2b 0 1 0 0 0 1 3-Indoleacetic Acid Indoleacetic acid SEOVTRFCIGRIMH C10 H9 N O2 175.06319 174.05591 32.1 [M-H]-1 2b 0 1 0 0 0 1 3-Indolepropionicacid 3-Indolepropionic acid GOLXRNDWAUTYKT C11 H11 N O2 189.07885 188.07157 49.98 [M-H]-1 3 0 1 1 0 0 1 3-Methyl-2-Oxovalerate; Ketoleucine 3-Methyl-2-oxovaleric acid/Ketoisoleucine JVQYSWDUAOAHFM C6 H10 O3 130.06293 129.05566 28.08 [M-H]-1 3 0 1 1 0 0 1 3-Methylcrotonylglycine 3-Methylcrotonylglycine PFWQSHXPNKRLIV C7 H11 N O3 157.07385 156.06657 35.28 [M-H]-1 3 0 1 1 0 0 1 3-Methylindole 3-Methylindole ZFRKQXVRDFCRJG C9 H9 N 131.07343 130.06615 50.46 [M-H]-1 2b 0 1 0 0 0 1 3-Oxododecanoicacid 3-Oxododecanoic acid DZHSPYMHDVROSM C12 H22 O3 214.15683 213.14955 214.98 [M-H]-1 2b 0 1 0 0 0 1 3,5-dichloro-4-hydroxy-benzoic acid - AULKDLUOQCUNOK C7 H4 Cl2 O3 205.95358 204.94631 198.6 [M-H]-1 2b 0 1 0 0 0 1 4-Formyl-2-methoxyphenyl hydrogen sulfate - OUIKMDRGUNIXSP C8 H8 O6 S 232.00394 230.99666 66.66 [M-H]-1 2b 0 1 0 0 0 1 4-phenolsulfonic acid 4-Hydroxybenzenesulfonic acid FEPBITJSIHRMRT C6 H6 O4 S 173.99851 172.99123 40.98 [M-H]-1 2b 0 1 0 0 0 1 4-Pyridoxate 4-Pyridoxic acid HXACOUQIXZGNBF C8 H9 N O4 183.05312 182.0458 26.82 [M-H]-1 1 1 0 1 0 0 1 4-vinylphenol sulfate 4-Hydroxystyrene IETVQHUKTKKBFF C8 H8 O4 S 200.01422 199.00694 124.56 [M-H]-1 2b 0 1 0 0 0 1 5-((5Z,8Z,11Z,14Z)-heptadeca-5,8,11,14-tetraen-1-yl)resorcinol - NFGWJVSRVVXHIT C23 H32 O2 340.23994 339.23266 350.04 [M-H]-1 2b 0 1 0 0 0 1 5-oxo-6E,8Z-tetradecadienoic acid - CUBKHJDNGLGYAG C14 H22 O3 238.15679 237.14952 253.02 [M-H]-1 2b 0 1 0 0 0 1 5-sulfooxymethylfurfural - WVMJEBICTINBRO C6 H6 O6 S 205.98834 204.98106 39.96 [M-H]-1 2b 0 1 0 0 0 1 5alpha-androstane-3alpha-ol-17-one sulfate 5alpha-Androstane-3alpha-ol-17-one sulfate ZMITXKRGXGRMKS C19 H30 O5 S 370.18103 369.17376 222.72 [M-H]-1 2b 0 1 0 0 0 1 5alpha-Dihydrotestosterone sulfate 5alpha-Dihydrotestosterone sulfate KYVPWJSGFKNNLD C19 H30 O5 S 370.18109 369.17382 204.6 [M-H]-1 2b 0 1 0 0 0 1 7-heptadecynoic acid - YHRWLGMHYITRRJ C17 H30 O2 266.22444 265.21716 330.84 [M-H]-1 2b 0 1 0 0 0 1 7-oxo-11E-Tetradecenoic acid - WPGZVCKWXQHYGF C14 H24 O3 240.17245 239.16518 230.7 [M-H]-1 2b 0 1 0 0 0 1 8Z,11Z,14Z-Eicosatrienoic acid Bishomo-gamma-linolenic acid HOBAELRKJCKHQD C20 H34 O2 306.25564 305.24836 360.48 [M-H]-1 2a 0 1 0 0 1 0 9-oxo-7E-hexadecenoic acid - HPFYZBFCKCJWJR C16 H28 O3 268.20372 267.19645 251.82 [M-H]-1 2b 0 1 0 0 0 1 9,12-hexadecadienoic acid 9,12-Hexadecadienoic acid RVEKLXYYCHAMDF C16 H28 O2 252.20879 251.20151 313.08 [M-H]-1 2b 0 1 0 0 0 1 Aconitic acid cis-Aconitic acid GTZCVFVGUGFEME C6 H6 O6 174.01627 173.009 17.34 [M-H]-1 3 0 1 1 0 0 1 Adrenic acid Adrenic acid TWSWSIQAPQLDBP C22 H36 O2 332.27133 331.26405 371.34 [M-H]-1 2a 0 1 0 0 1 0 Aleprestic acid - LKYXRLKMAYFZDK C10 H16 O2 168.11491 167.10763 195.06 [M-H]-1 2b 0 1 0 0 0 1 Alepric acid - DTHSUAKYTFUSQU C14 H24 O2 224.17751 223.17023 278.34 [M-H]-1 2b 0 1 0 0 0 1 alpha-Ketoglutaric acid Oxoglutaric acid KPGXRSRHYNQIFN C5 H6 O5 146.02142 145.0142 17.28 [M-H]-1 3 0 1 1 0 0 1 Alpha-ketoisovaleric acid Ketoisovaleric acid QHKABHOOEWYVLI C5 H8 O3 116.04735 115.04007 26.88 [M-H]-1 3 0 1 1 0 0 1 Androsterone 3-glucuronide Androsterone 3-glucuronide VFUIRAVTUVCQTF C25 H38 O8 466.25642 465.24914 205.2 [M-H]-1 2b 0 1 0 0 0 1 Anisole Anisole RDOXTESZEPMUJZ C7 H8 O 108.05756 107.05029 70.8 [M-H]-1 2b 0 1 0 0 0 1 Arachidic acid Arachidic acid VKOBVWXKNCXXDE C20 H40 O2 312.30268 311.2954 445.14 [M-H]-1 2b 0 1 0 0 0 1 Beta-Alanine beta-Alanine UCMIRNVEIXFBKS C3 H7 N O2 89.04779 88.04051 20.94 [M-H]-1 3 0 1 1 0 0 1 Cholate Cholic acid BHQCQFFYRZLCQQ C24 H40 O5 408.28735 407.28005 214.62 [M-H]-1 2a 0 1 0 0 1 0 Creatinine Creatinine DDRJAANPRJIHGJ C4 H7 N3 O 113.05897 112.0517 22.26 [M-H]-1 1 1 0 1 0 0 1 D-Arabinonate Arabinonic acid QXKAIJAYHKCRRA C5 H10 O6 166.04796 165.04068 315.36 [M-H]-1 2b 0 1 0 0 0 1 D-erythro-Sphingosine1-phosphate Sphingosine 1-phosphate DUYSYHSSBDVJSM C18 H38 N O5 P 379.24859 378.24131 254.7 [M-H]-1 2b 0 1 0 0 0 1 Decanoicacid Capric acid GYSCBCSGKXNZRH C10 H20 O2 172.14627 171.13899 243.6 [M-H]-1 2b 0 1 0 0 0 1 Deoxycholic Acid1 Deoxycholic acid KXGVEGMKQFWNSR C24 H40 O4 392.29256 391.28528 214.74 [M-H]-1 2a 0 1 0 0 1 0 Deoxycholic Acid2 Deoxycholic acid KXGVEGMKQFWNSR C24 H40 O4 392.29257 391.28529 226.92 [M-H]-1 2a 0 1 0 0 1 0 Docosahexaenoic acid Docosahexaenoic acid MBMBGCFOFBJSGT C22 H32 O2 328.23992 327.23264 332.58 [M-H]-1 2a 0 1 0 0 1 0 Dodecyl acrylate - PBOSTUDLECTMNL C15 H28 O2 240.20885 239.20157 318.96 [M-H]-1 2b 0 1 0 0 0 1 Dodecyl sulfate MOTZDAYCYVMXPC C12 H26 O4 S 266.15503 265.14776 260.58 [M-H]-1 2a 0 1 0 0 1 0 Eicosapentaenoate Eicosapentaenoic acid JAZBEHYOTPTENJ C20 H30 O2 302.22428 301.21701 320.64 [M-H]-1 1 1 0 1 0 0 1 Erinacine C - DMPGFSQMXITJPT C25 H38 O6 434.26661 433.25933 299.64 [M-H]-1 2b 0 1 0 0 0 1 Eugenol;4-Allylguaiacol - RRAFCDWBNXTKKO C10 H12 O2 164.08367 163.0764 192.84 [M-H]-1 2b 0 1 0 0 0 1 Furmecyclox Furmecyclox QTDRLOKFLJJHTG C14 H21 N O3 251.15199 250.14472 315.42 [M-H]-1 2b 0 1 0 0 0 1 Glutamic Acid Glutamic acid WHUUTDBJXJRKMK C5 H9 N O4 147.0531 146.04582 17.64 [M-H]-1 3 0 1 1 0 0 1 Glutamine Glutamine ZDXPYRJPNDTMRX C5 H10 N2 O3 146.0691 145.06182 18.36 [M-H]-1 1 1 0 1 0 0 1 glycochenodeoxycholic acid 7-sulfate glycochenodeoxycholic acid 7-sulfate GLYPHOJMMLQNJQ C26 H43 N O8 S 529.2708 263.62809 183.84 [M-2H]-2 2b 0 1 0 0 0 1 Glycochenodeoxycholicacid3-glucuronide Glycochenodeoxycholic acid 3-glucuronide ABFZMYIIUREPLL C32 H51 N O11 625.34633 624.33963 194.46 [M-H]-1 2b 0 1 0 0 0 1 Glycohyodeoxcholic acid Glycohyodeoxycholic acid SPOIYSFQOFYOFZ C26 H43 N O5 449.31392 448.30664 219.3 [M-H]-1 2a 0 1 0 0 1 0 guaiacol sulfate Guaiacol sulfate AQTYXAPIHMXAAV C7 H8 O5 S 204.00918 203.0019 62.94 [M-H]-1 2b 0 1 0 0 0 1 Harzianoic acid A - UDZRBDXBUYNBCW C14 H20 O5 268.13095 267.12367 195.78 [M-H]-1 2b 0 1 0 0 0 1 hexadecandioic acid Hexadecanedioic acid QQHJDPROMQRDLA C16 H30 O4 286.21425 285.20698 216.84 [M-H]-1 2b 0 1 0 0 0 1 Hippuric Acid Hippuric acid QIAFMBKCNZACKA C9 H9 N O3 179.05812 178.05084 27.36 [M-H]-1 3 0 1 1 0 0 1 Indole Indole SIKJAQJRHWYJAI C8 H7 N 117.05788 116.0506 29.94 [M-H]-1 2b 0 1 0 0 0 1 Indolelactic acid Indolelactic acid XGILAAMKEQUXLS C11 H11 N O3 205.07369 204.06642 32.94 [M-H]-1 1 1 0 1 0 0 1 Indoxyl Sulfate Indoxyl sulfate BXFFHSIDQOFMLE C8 H7 N O4 S 213.0095 212.00222 55.86 [M-H]-1 1 1 0 1 0 0 1 Indoxylsulfate Indoxyl sulfate BXFFHSIDQOFMLE C8 H7 N O4 S 213.00951 212.00223 47.64 [M-H]-1 2b 0 1 0 0 0 1 Isoleucine Isoleucine AGPKZVBTJJNPAG C6 H13 N O2 131.09456 130.08728 22.8 [M-H]-1 1 1 0 1 0 0 1 Itaconate Itaconic acid LVHBHZANLOWSRM C5 H6 O4 130.02658 129.01932 17.82 [M-H]-1 3 0 1 1 0 0 1 L-Methionine Methionine FFEARJCKVFRZRR C5 H11 N O2 S 149.05105 148.04377 21.84 [M-H]-1 4 0 1 0 0 0 0 Laurate Lauric acid POULHZVOKOAJMA C12 H24 O2 200.17751 199.17024 285.3 [M-H]-1 1 1 0 1 0 0 1 Leptazoline B DQWZJXAZNNVHLN C16 H21 Cl N2 O7 388.10429 387.0971 315.36 [M-H]-1 2b 0 1 0 0 0 1 LMST04010283 PLLIKCPIJLUCPD C24 H34 O4 386.2456 385.23833 214.44 [M-H]-1 2b 0 1 0 0 0 1 LMST05030012 DKXXSIJHWWVNMO C26 H43 N O8 S 529.27079 263.62807 199.74 [M-2H]-2 2b 0 1 0 0 0 1 Maleic acid - VZCYOOQTPOCHFL C4 H4 O4 116.01087 115.0037 17.94 [M-H]-1 3 0 1 1 0 0 1 Malic acid Malic acid BJEPYKJPYRNKOW C4 H6 O5 134.02152 133.01425 17.34 [M-H]-1 3 0 1 1 0 0 1 Methylfarnesoate - NWKXNIPBVLQYAB C16 H26 O2 250.19312 249.18585 294 [M-H]-1 2b 0 1 0 0 0 1 MFCD12546417 3,4-Dihydroxybenzenesulfonic acid LTPDITOEDOAWRU C6 H6 O5 S 189.99346 188.98619 38.46 [M-H]-1 2b 0 1 0 0 0 1 Myristicacid Myristic acid TWJNQYPJQDRXPH C14 H28 O2 228.20876 227.20149 328.86 [M-H]-1 3 0 1 1 0 0 1 Myristyl sulfate - URLJMZWTXZTZRR C14 H30 O4 S 294.18641 293.17913 282.72 [M-H]-1 2a 0 1 0 0 1 0 N-(3beta,7beta,dihydroxycholest-5-en-24-oyl) glycine - BMRAURDLHOPSBE C26 H41 N O5 447.29839 446.29112 213.54 [M-H]-1 2b 0 1 0 0 0 1 n-Octyl-beta-D-thioglucopyranoside - CGVLVOOFCGWBCS C14 H28 O5 S 308.16561 307.15833 257.46 [M-H]-1 2b 0 1 0 0 0 1 N-oleoyl taurine N-Oleoyl taurine KOGRJTUIKPMZEJ C20 H39 N O4 S 389.25986 388.25258 286.74 [M-H]-1 4 0 1 0 0 0 0 N-palmitoyl serine N-Palmitoyl serine BFVRFWIQTACAPT C19 H37 N O4 343.27192 342.26464 272.04 [M-H]-1 4 0 1 0 0 0 0 N-Ribosylnicotinamide - JLEBZPBDRKPWTD C11 H14 N2 O5 254.09017 253.08289 226.74 [M-H]-1 2b 0 1 0 0 0 1 Naphthalen-2-amine 2-Aminonaphthalene JBIJLHTVPXGSAM C10 H9 N 143.07338 142.06611 29.94 [M-H]-1 2b 0 1 0 0 0 1 NSC 622050 - HOUSDILKOJMENG C16 H31 N O3 285.23024 284.22296 256.92 [M-H]-1 2b 0 1 0 0 0 1 Omega-Hydroxydodecanoate 12-Hydroxy lauric acid ZDHCZVWCTKTBRY C12 H24 O3 216.17237 215.16509 227.34 [M-H]-1 1 1 0 1 0 0 1 p-Cresolsulfate p-Cresol sulfate WGNAKZGUSRVWRH C7 H8 O4 S 188.01413 187.00686 70.8 [M-H]-1 2b 0 1 0 0 0 1 PA(16:0/0:0) LPA 16:0/0:0 YNDYKPRNFWPPFU C19 H39 O7 P 410.24319 409.23592 278.46 [M-H]-1 2b 0 1 0 0 0 1 PA(18:2(9Z,12Z)/0:0) PA 18:2(9Z,12Z)/0:0* ZQTAMPRZFOOEEP C21 H39 O7 P 434.24309 433.23581 270.6 [M-H]-1 2b 0 1 0 0 0 1 Palmitoleicacid Palmitoleic acid SECPZKHBENQXJG C16 H30 O2 254.22433 253.21705 338.16 [M-H]-1 3 0 1 1 0 0 1 Panosialin B - USQVRFZEIYYKND C21 H36 O8 S2 480.18493 239.08519 182.04 [M-2H]-2 2b 0 1 0 0 0 1 Panosialin wD - DTKXGPUQRVDFCG C21 H36 O5 S 400.22799 399.22071 223.14 [M-H]-1 2b 0 1 0 0 0 1 PE(0:0/18:3(9Z,12Z,15Z)) LPE 0:0/18:3(9Z,12Z,15Z)* JGWWMNVPHKMUCV C23 H42 N O7 P 475.26968 474.26241 270.06 [M-H]-1 2b 0 1 0 0 0 1 PE(16:0/0:0) LPE 16:0/0:0 YVYMBNSKXOXSKW C21 H44 N O7 P 453.28543 452.2782 269.28 [M-H]-1 2b 0 1 0 0 0 1 PE(18:0/0:0) LPE 18:0/0:0 BBYWOYAFBUOUFP C23 H48 N O7 P 481.31677 480.30937 295.92 [M-H]-1 2b 0 1 0 0 0 1 PE(18:1(11Z)/0:0) PE 18:1(11Z)/0:0* WAYKKNOEMJFLDI C23 H46 N O7 P 479.30102 478.29375 299.76 [M-H]-1 2b 0 1 0 0 0 1 PE(18:1(9Z)/0:0) PE 18:1(9Z)/0:0* PYVRVRFVLRNJLY C23 H46 N O7 P 479.30124 478.29381 276.48 [M-H]-1 2b 0 1 0 0 0 1 PE(18:2(9Z,12Z)/0:0) PE 18:2(9Z,12Z)/0:0* DBHKHNGBVGWQJE C23 H44 N O7 P 477.2853 476.27803 282.54 [M-H]-1 2b 0 1 0 0 0 1 PE(20:2(11Z,14Z)/0:0) PE 20:2(11Z,14Z)/0:0* QJHRNPQXCMXOOH C25 H48 N O7 P 505.31697 504.3096 285.06 [M-H]-1 2b 0 1 0 0 0 1 PE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) PE 22:5(7Z,10Z,13Z,16Z,19Z)/0:0* OSRWIBSZJTWIKA C27 H46 N O7 P 527.30157 526.29403 272.64 [M-H]-1 2b 0 1 0 0 0 1 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0* XEVRBOQZSXWGQO C27 H44 N O7 P 525.28544 524.27816 282.18 [M-H]-1 2b 0 1 0 0 0 1 PE(O-18:1(9Z)/0:0) PE O-18:1(9Z)/0:0* CDONWGCJDDHTLP C23 H48 N O6 P 465.32178 464.3144 306.78 [M-H]-1 2b 0 1 0 0 0 1 PE(P-16:0/0:0) PE P-16:0/0:0* QYTPGOPLNFESQC C21 H44 N O6 P 437.29039 436.28311 301.56 [M-H]-1 2b 0 1 0 0 0 1 Perfluoro-1-octanesulfonic acid (PFOS) Perfluorooctanesulfonic acid YFSUTJLHUFNCNZ C8 H F17 O3 S 499.93752 498.93025 267 [M-H]-1 2a 0 1 0 0 1 0 Perfluorohexanesulfonic acid Perfluorohexane-1-sulphonic acid QZHDEAJFRJCDMF C6 H F13 O3 S 399.94364 398.93636 245.76 [M-H]-1 2b 1 0 1 0 0 1 PFDA Perfluorodecanoic acid PCIUEQPBYFRTEM C10 H F19 O2 513.96726 512.95998 259.44 [M-H]-1 4 1 0 1 0 0 0 PFHpA Perfluoroheptanoic acid ZWBAMYVPMDSJGQ C7 H F13 O2 363.97682 362.96954 226.56 [M-H]-1 4 1 0 1 0 0 0 PFNA Perfluorononanoic acid UZUFPBIDKMEQEQ C9 H F17 O2 463.97063 462.96335 249.12 [M-H]-1 4 1 0 1 0 0 0 PFOA Perfluorooctanoic acid SNGREZUHAYWORS C8 H F15 O2 413.97355 412.96628 238.44 [M-H]-1 2b 1 0 1 0 0 1 PGB3 PGB3 DQRGQQAJYRBDRP C20 H28 O4 332.19859 331.19131 211.62 [M-H]-1 2b 0 1 0 0 0 1 Phenylalanine Phenylalanine COLNVLDHVKWLRT C9 H11 N O2 165.07891 164.07163 26.4 [M-H]-1 1 1 0 1 0 0 1 Pseudomonic acid A Mupirocin MINDHVHHQZYEEK C26 H44 O9 500.29864 499.29136 211.26 [M-H]-1 4 0 1 0 0 0 0 Pyroglutamate Pyroglutamic acid ODHCTXKNWHHXJC C5 H7 N O3 129.04257 128.0353 17.94 [M-H]-1 3 0 1 1 0 0 1 Pyruvic acid Pyruvic acid LCTONWCANYUPML C3 H4 O3 88.016 87.00886 18 [M-H]-1 2b 0 1 0 0 0 1 Rishitin Rishitin XSCYYIVXGBKTOC C14 H22 O2 222.16184 221.15457 259.08 [M-H]-1 2b 0 1 0 0 0 1 Stearic acid Stearic acid QIQXTHQIDYTFRH C18 H36 O2 284.27123 283.26394 435.42 [M-H]-1 2a 0 1 0 0 1 0 Succinic acid Succinic acid KDYFGRWQOYBRFD C4 H6 O4 118.02664 117.01936 17.22 [M-H]-1 3 0 1 1 0 0 1 Sulfoglycolithocholate Sulfoglycolithocholic acid FHXBAFXQVZOILS C26 H43 N O7 S 513.27586 255.63065 207.72 [M-2H]-2 2b 0 1 0 0 0 1 Suspensolide - RVKDTQISXMBQEU C12 H18 O2 194.1305 193.12322 223.74 [M-H]-1 2b 0 1 0 0 0 1 Taurolithocholicacid3-sulfate Taurolithocholic acis sulfate HSNPMXROZIQAQD C26 H45 N O8 S2 563.25835 280.62186 210.06 [M-2H]-2 2b 0 1 0 0 0 1 Tauroursodeoxycholic acid Tauroursodeoxycholic acid BHTRKEVKTKCXOH C26 H45 N O6 S 499.2968 498.28952 222.66 [M-H]-1 2a 0 1 0 0 1 0 Testosterone sulfate Testosterone sulfate WAQBISPOEAOCOG C19 H28 O5 S 368.16529 367.15801 217.08 [M-H]-1 2a 0 1 0 0 1 0 thymol sulfate Thymol NODSEPOUFZPJEQ C10 H14 O4 S 230.06106 229.05378 207.24 [M-H]-1 2b 0 1 0 0 0 1 Trans-Cinnamate trans-Cinnamic acid WBYWAXJHAXSJNI C9 H8 O2 148.05237 147.04509 26.58 [M-H]-1 1 1 0 1 0 0 1 Trifluoroacetic acid - DTQVDTLACAAQTR C2 H F3 O2 113.99297 112.98569 22.08 [M-H]-1 2b 0 1 0 0 0 1 Tryptophan Tryptophan QIVBCDIJIAJPQS C11 H12 N2 O2 204.08975 203.08248 29.94 [M-H]-1 1 1 0 1 0 0 1 Uricacid Uric acid LEHOTFFKMJEONL C5 H4 N4 O3 168.02828 167.021 18.3 [M-H]-1 2b 0 1 0 0 0 1 Valine Valine KZSNJWFQEVHDMF C5 H11 N O2 117.07903 116.07175 21.48 [M-H]-1 3 0 1 1 0 0 1 METABOLITES_END #END