#METABOLOMICS WORKBENCH SinaiMetabolomics_20230409_004239 DATATRACK_ID:3852 STUDY_ID:ST002576 ANALYSIS_ID:AN005613 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 ZHN CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters XBridge Amide (50 x 3.0mm, 3.5um) CH:SOLVENT_A 97.5% acetonitrile/2.5% water CH:SOLVENT_B 100% water; 10mM ammonium acetate (adjusted to pH ~9.8) CH:FLOW_GRADIENT 10% of B until 1.00min; then from 10% to 55% of B until 7.00 min; ending with CH:FLOW_GRADIENT 55% of B at 7.50 min. CH:FLOW_RATE 0.300 to 0.350 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 (9S,10S)-9,10-dihydroxyoctadecanoic acid 236920.755 3113506.598 31164566.43 29015539.44 1709708.249 2104205.372 2597038.685 4318758.917 1378051.427 1794003.503 1347970.619 2334732.654 2506612.812 1130297.374 2095506.255 1571064.485 2425753.065 2159502.064 1342976.398 2000947.261 1746018.29 2252911.31 1899666.447 2988451.212 3440636.786 32342536.47 32275453.64 2098311.499 2064323.091 1901828.718 1254028.108 1455879.53 960628.6009 2643783.324 2300995.187 1057874.761 1833433.867 3411390.072 3126690.659 2212439.242 2745049.416 1848805.342 2646768.849 2555579.023 1726606.027 917403.0126 1895321.157 1677591.95 36454834.3 32099248.98 1458289.21 1959871.355 2113268.054 3414540.061 977913.4906 2938832.39 2852750.356 1024317.24 1651102.494 1527852.944 1988930.635 3259468.061 3757318.976 2587305.084 2031597.221 2103787.868 2038948.312 2066825.295 1522376.831 2599977.205 2815540.466 32844355.86 36498125.22 1429176.592 2876153.15 964389.0096 1976270.868 2355265.926 2065217.577 3627502.79 2781697.001 2258312.869 2833171.561 3698078.814 1963271.591 1818325.569 2254050.956 2298288.534 2237456.95 1524819.713 3852858.618 1920095.298 974028.268 43377940.95 33321333.23 554237.6432 227500.4486 37735368.68 32595956.15 1430170.347 2248764.86 2475020.092 2122290.881 856289.4019 1719235.043 2801013.125 2994738.747 2177108.78 5123005.05 3389044.253 1395671.792 2599042.011 1918030.877 3166071.504 15454162.96 45925979.35 37851494.64 4154734.653 3217275.515 2229629.241 2185831.255 1416845.03 3977905.186 2030293.417 1448638.191 2239540.582 6042821.754 3353032.142 2711075.67 1531136.092 1594102.203 3172874.492 47365518.39 39052597.87 1444801.15 2542460.113 1327030.435 2335736.7 2672557.317 2087538.506 2910447.797 2051243.634 3450596.67 2347082.357 2087743.404 1065207.711 1769611.091 2386669.192 3622009.813 49902607.34 42893713.98 2000618.206 1928767.031 2755932.745 3971621.928 1605055.908 3711365.887 1951734.695 120803.2235 2394155.946 2925973.539 3029534.474 3701290.388 2833421.578 2283321.38 4633754.428 3200875.687 1492354.516 55879958.88 46257407.84 4147099.006 551437.844 318969.0635 962380.8142 575721.3944 156434.6584 Meso-2,2'-iminodipropanoic acid 104489.532 9247779.908 6498522.575 6889417.112 8942277.19 6472331.236 12050339.15 12703514.3 6941897.824 8321697.978 11804348.4 6911582.639 7517980.592 15656916.09 14698377.19 8283003.365 18277619.5 13989564.99 8671851.377 12895056.76 16341248.46 6515120.551 10035417.08 11940995.43 10609374.86 6625047.37 7447108.246 11527349.07 10041940.61 11321591.75 9198698.154 11795851.97 9429801.63 3652815.262 10153989.37 6587599.565 8586692.986 12133176.28 10949619.52 7912050.063 8933913.034 9320949.902 7086390.443 12187590.79 8989312.015 15890774.99 6746213.292 1682984.732 6706455.809 7575555.811 9166290.423 7277791.487 2557215.258 11840455.19 10389110.45 17768402 18475859.44 10292400.03 8008102.216 9480627.968 13459837.19 6729088.084 15735466.45 10723688.63 6081207.499 11709301.71 4674735.604 5873400.752 1714670.613 10914951.45 15552299.56 7321408.817 9121573.432 7766851.85 3420928.337 10365556.08 11863459.45 11142760.97 7031846.593 9950490.349 8473617.203 18845134.62 10576684.51 9342252.68 8539901.879 7409273.995 10827206.9 8897560.903 11076948.43 9740268.09 16225548.3 9069652.91 7168207.652 7855323.948 8412269.097 169531.6027 101786.2587 5028646.98 5444003.165 7580549.984 5319728.196 11286380.52 10140803.83 8541356.027 7085697.281 10574641.91 10728517.21 7089831.014 3263497.437 9164497.507 8074563.324 9428315.982 6704029.695 7999163.925 11438275.37 8200967.264 8234080.295 9417238.556 4002889.603 7878322.21 3055247.876 8573066.037 9532183.031 7618122.071 7985061.141 4969306.836 9298046.151 8208904.131 10264478.36 9738100.231 8546250.851 6302511.922 8598832.806 8881484.788 9326342.334 22147927.54 11232635.76 10083960.82 10571762.03 8220397.001 7024325.001 10074089.76 14650570.55 9862252.884 8767460.698 7495455.885 21440763.36 9760108.973 14716348.5 8299633.094 9593140.019 11442824.45 5562546.594 13053154.76 8516327.709 13651931.16 9666924.542 11992511.87 105774.6174 8923838.116 10137094.61 10919907.86 10133524.17 9783386.378 7999997.099 12723615.67 8268754.493 5898316.206 10000173.85 11238323.76 10570460.19 166527.8215 117471.8924 158187.0577 192848.6985 193104.1881 ?-Muricholic Acid 118044.2616 2606426.204 1438277.989 2839671.027 457856.3247 281835.997 401107.3698 118232825.6 4820197.959 162904.4889 9518529.23 372294.4451 204346.725 368268.1006 297177.7844 18765270.01 1784105.646 8649242.856 227081.0192 539162.9998 17262291.79 893208.7831 227072.9265 614056.7247 232974.4717 1631234.927 2969894.435 240696.8283 2380713.472 1037697.776 5506833.245 1979527.244 5547013.068 1454792.514 1117175.355 1404373.542 2707999.028 463511.1171 179344.9095 2031245.22 708402.1212 5645936.784 8922650.017 5697342.67 7144555.982 2079985.339 825048.1742 6003394.416 1422876.465 2467313.534 476139.1477 5307556.641 458454.0789 7554190.489 313135.5571 208126.3961 226284.7054 189230.8822 12685182.48 998739.4807 392676.3762 813406.1474 8430405.403 2553299.722 758414.9794 8655628.3 195586.4695 1698908.087 2960840.994 4440471.694 523735.2224 1231582.15 2283522.064 21208232.44 301829.5084 196989.3851 346994.3722 166190.6668 4768917.808 699992.5907 7020468.267 1339971.504 1911820.396 244723.6825 6143106.335 330462.393 311290.7293 234953.6006 101206322.4 7777431.919 21644176.06 2588624.744 1056625.819 1366445.944 2297711.651 165765.4843 128692.8007 1400208.278 2427268.903 224353.4562 217201.3131 418516.7937 596571.4369 219178.4463 257291.3606 10304134.95 260118.0877 231398.4853 163910.2781 723308.4485 12645285.83 12633426.25 2987006.403 510388.1522 219774.7426 1621038.636 2694955.378 23476090 266078.6872 277712.5062 1115683.379 187853.9064 260272.4616 626710.6506 186484.5614 292310.232 309286.6241 524577.5663 263223.6701 186457.3004 237641.1357 265704.1455 1365679.533 1736184.271 257302.1009 1814513.369 7070874.918 2879439.118 200528.41 516852.7047 1170855.581 4831417.158 196952.6752 16279984.11 10556209.78 33539696.56 241534.7522 279853.5952 296195.5839 1120098.796 2196923.159 435535.2132 235521.2457 197531.4809 1098073.901 463649.1455 326519.5893 278120.6614 188300.0553 748283.4815 7091464.605 837383.9682 2457997.061 271573.6441 1412637.896 213152.316 191596.2797 520042.7945 804409.3583 1742808.311 1584405.632 199763.1607 158174.8953 137315.6225 255857.9021 193239.6506 (-)-Menthylacetate 85332.62568 16438666.58 14591157.1 14034146.19 18658326.84 36215025.63 21175325.96 61360491.18 21422713.54 26515683.71 7654158.677 32391274.71 29231334.77 4258115.196 28667041.08 12709485.42 11460194.64 16078188.28 23022822.41 36592370.43 16940539.29 15948695.77 21683038.83 63666036.96 31732867.35 14538462.02 15238365.8 36367674.92 26326822.55 29380941.91 6360188.302 15678481.94 7991048.987 23862426.15 21579062.1 20196450.91 12555709.62 42720471.55 33872556.72 30293293.04 18931331.44 17324462.68 36790022.36 28765932.96 9964936.688 15352887.61 16320487.03 24418766.68 16363725.49 14225311.42 17203837.93 10731501.05 31665617.75 20963295.39 21645154.75 23559388.82 23505168.49 36514294.29 17980770.87 12057747.33 26143216.99 80706403.43 32732365.65 37469889.76 18137800.71 20196344.48 18913526.5 14594630.84 23334971.16 19108715.88 31745250.41 16128993.06 15851905.08 18499695.82 22030852.13 7392592.604 22389579 9430329.993 23219773.54 27802154.82 29044971.28 26699102.62 16496796.85 11921633.76 11849251.41 36274710.51 24292266.01 39980284.63 32892563.07 7166653.345 66467959.55 17524040.63 18005424.95 17809522.17 15316299.6 141673.514 80135.35343 16782166.76 14568122.69 15086457.53 55216592.23 32719846.84 25730757.92 8786951.525 16712885.29 25479445.06 17132210.3 19938331.08 47395558.82 45598560.47 26747481.57 16569130.58 20135047.46 42510272.62 27532544.86 19798487.03 17664353.23 38781015.66 40734716.29 52894644.14 21417392.67 25854465.21 70101416.1 34430257.12 13206774.54 38148231.31 53932968.63 115477425.7 33639913.45 19156786.45 28224208.75 27847562.76 18717402.83 17458423.39 18378966.65 10285325.74 11157830 31460070.66 40887398.91 23189951.11 98457165.38 13551114.56 32329012.66 29162292.81 18485303.51 12808371.28 18911681.76 32658669.89 31103936.87 17826036.27 18900062.03 20212774.59 32154959.63 16266517.98 28718419.96 14653086.18 28491436.62 30578062.32 67508.20835 54356695.44 38971381.31 23263111.35 41435795.82 42458785.67 19519876.65 45597957.06 61134407.23 25597270.48 20852384.78 18697847.51 23482474.33 206275.6053 145042.1941 326515.8456 104082.9541 158644.3973 (+)-Bornane-2_5-dione 56830.42579 38157120.04 54430505.5 48236848.06 18299937.53 83642506.24 99122604.46 36542659.98 49298957.7 85728994.47 31593989.36 57746411.1 44808608.59 35647082.78 95024417.12 144927648.7 65648848.75 25879851.88 66778063.01 110356655.7 79486366.99 53515598.13 30289253.08 57777112.78 38252688.14 58897768.63 52681810.77 98394837.26 79156107.51 43094727.15 98893196.23 121539319.4 128175490.3 61778676.93 59616327.8 88860397.08 78112763.39 67350245.31 145368111.1 68304600.33 77161165.49 206178247.4 102170912.9 101760028.4 64113770.42 42381993.94 108930579.6 54170718.11 61735707.06 53216498.22 76233317.14 99217408.48 103184930.9 18113941.68 59689194.96 46981580.07 69103902.75 73675507.54 72973738.25 59221689.05 88102165.67 91315532.05 66815918.41 232447594.6 75333988.62 76361767.13 71738829.93 124841851.9 60875557.73 66383669.64 44417496.38 62886513.98 62744944.41 86147647.35 82082460 41873498.78 61629615.24 88709461.48 94014091.08 34085219.81 77094326.39 69037729.61 59929267.52 24492052.04 62257953.84 161899233.2 113888674.2 61454542.41 101547586.9 49078599.31 230616973.6 30055785.17 84312685.79 69521863.93 57896426.87 67010.2903 53806.22737 62186453.5 54352277.56 62439194.11 66273035.75 171478729.8 73480432.76 66071038.19 67787997.66 150905622.3 91947687.3 40414307.87 113818607.3 72218718.62 48288232.41 92127180.31 95301640.2 94878574.05 22816854.53 83112184.9 62837790.7 64353462.68 255199557.8 53815362.27 63380802.74 65438190.69 138815360.5 90746617.4 38923615.06 80182085.02 62320698.29 108909862.7 49460647.9 164043887.8 120421278.1 63982223.08 77271225.95 63236575.63 62087546.27 46918385.69 50613838.64 106414325.1 96872756.3 110589750.3 57375265.3 36080558.14 88365125.87 71378146.23 37170843.17 40612948.5 33899993.49 82558547.76 121722193.3 76660901.96 70254728.69 56686739.2 104014826.5 199929432.3 50981055.3 69192248.5 78300072.1 103982032 108494.9494 73245437.03 149906551.4 211637671.4 92420122.34 120031204.6 109827838.9 138185606.1 140653804 91920740.12 86081868.28 73504118.71 55905415.21 116531.5352 91411.19442 69541.83637 61160.00326 111468.479 (+)-exo-5-Hydroxycamphor 96188.49024 7274364.781 11557773.18 9483237.95 4709371.546 8884967.928 12704719.87 12115202.2 6782586.573 9834622.729 7124881.217 11625066.08 8315711.971 5520755.815 12812944 8313252.8 2580004.427 5201896.92 6076990.46 10666031.09 16170705.4 5616803.624 7782776.855 12970708.81 8456966.641 12215208.21 12502566.98 15651866.24 9883553.832 8100937.165 9746475.113 7659463.843 10305650.35 10117268.43 8458248.006 11570721 10628051.22 8775845.059 9669864.583 14544002.07 11784641.8 12767677.12 11399725.34 10955428.26 7261348.656 9817132.186 11049966.48 7656849.234 13986002.66 13063586.3 10784616.73 3685354.438 8740294.792 6190698.974 11483069.59 9968742.22 9610967.18 10375961.41 4749866.913 9822785.346 12441553.26 13789203.79 11756272.96 20512166.13 9239170.158 13400787.77 10381321.45 11874701.31 11682719.96 7918760.294 8627551.49 15177317.09 15003480.8 10206260.06 8169994.774 8973794.433 10260626.64 10266060.8 10905921.02 11294431.21 12962489.14 13970605.46 14284735.13 6450564.349 8190422.952 17784538.21 10757776.04 13059799.26 13625050.98 7044480.795 15437896.28 6803932.162 6780224.853 15323548.49 12247572.83 122195.8649 97492.93482 14158443.07 13893262.49 6317167.689 13485100.17 14758300.18 15382600.61 6786520.72 8448824.972 13213754.2 10400974.79 7643367.988 12507983.39 15432427.3 10600878.45 11376568.34 10391121.05 10627509.54 9819096.784 18822813.55 16489544.08 13039120.25 17469680.66 10233896.17 12930007.32 9336967.989 24043091.56 12321159.11 6417686.991 11449980.43 8856781.171 21490627.01 9655696.445 17026619.49 13968027.12 12252579.29 17651821.43 18054345.99 9133632.603 6878861.597 8565310.254 11380220.73 16321073.43 8146952.532 25524422.81 11125063.12 17737053.08 9210240.148 7951071.105 7252172.821 7972648.986 10321927.92 13505156.71 17646910.13 16745834.26 8418476.485 13655439.77 16818063.94 11237066.54 8943217.774 13308075.7 15911576.79 183499.6047 20970575.26 19404479.88 21758328.32 13907012.06 183677.3999 11325669.35 17192271.08 20796621.58 14145512.66 20621091.79 19967335.82 12298730.24 147016.9297 154605.5198 259710.0826 103441.0955 196497.6938 (+/-)9-HpODE 160277.9969 18711560.91 577906898.1 531976706.8 1550626.601 252188.8098 2847365.4 791907.4894 1140483.134 2192047.956 245008.6644 678947.1801 2403038.358 2624967.829 1078014.573 2035195.067 3341364.633 1498013.034 1232900.682 1850730.23 886449.8777 1786088.444 1088349.737 1801706.688 298625.7608 596944033.2 577779087.8 2272827.6 472815.4015 1437559.265 185755.1399 1593860.21 458263.5118 1005439.159 2038500.436 791377.8382 1458677.244 2904900.103 1468372.351 2770070.117 4307970.318 395763.3576 2635794.222 1453173.579 3707044.092 613635.4916 1572096.253 427394.1635 580404478.3 558254292.5 2736409.835 293441.7744 1320615.132 4458487.457 459039.6267 1205064.293 520831.0364 472840.3666 150912.7638 1125942.274 3092610.993 1294532.067 1701070.734 4707003.337 309694.9734 587761.9342 126570.7826 1835878.817 510458.8862 246498.9296 1188570.586 606821454.6 612690291.7 954166.4611 3363698.948 422747.6473 831858.2111 3586862.766 1045962.931 1467284.061 3263830.617 261187.7561 708264.5106 3199561.74 483369.2364 167922.8011 3420050.999 2064478.474 732621.0259 1667429.007 3214729.23 1500070.866 874341.8129 697279301.6 607305283.9 131609.348 130809.3307 645667861.2 588915822.3 898138.9191 2186766.537 1917881.682 440737.8411 340160.7424 1735221.166 608776.8832 1385830.985 2624864.693 1724497.708 2265637.534 556759.0072 1578080.966 529174.541 1738277.251 9763826.821 822129279 700606216.8 3284915.555 2489587.03 2235124.458 1632267.063 1857960.588 3374413.612 714793.6756 456492.3819 2568217.091 2886649.57 1487817.122 1813856.873 437637.8523 916546.7514 445995.5618 742775875.2 697965657 1962663.322 2389661.836 2059986.415 3080187.83 1168737.79 1739477.283 6402951.259 2068930.974 2356274.01 487022.0533 313725.4183 647571.82 742822.8494 1645057.284 8443860.995 775669084.9 766212130.2 1046429.722 509588.2062 698447.9349 408710.3427 1839980.124 1220104.451 1993188.381 117209.6247 2687392.911 176555.5563 2283755.958 1463331.716 2552996.931 2289119.6 2997716.074 2842444.403 3185029.49 847947541.2 787348380.7 33419072.17 353851.3873 159884.527 88083.1285 170192.5583 169062.8188 (±)-Abscisic acid 31195.48293 1959189.199 1525157.507 2168436.446 815333.5983 3320943.776 1070916.892 1110776.929 463556.9397 498738.9718 2766320.244 1979214.901 1927132.443 972380.7913 2169862.488 2473672.397 2148441.961 748629.4836 763053.0044 2977463.788 1511350.294 908841.7993 1023433.214 3573885.02 1432608.568 2199268.845 2393852.808 865159.4573 2386225.997 1447276.25 1202488.78 3064635.129 1484533.397 2059614.642 3819500.674 3340214.978 1698193.682 3789808.855 2777519.58 2773616.93 865656.1888 2998235.863 1229088.8 4339398.922 4064020.615 1628066.678 1035284.549 799728.1259 1268898.737 2408138.011 4876045.672 792733.202 1542593.87 1571939.58 774585.0215 3531527.084 2682046.423 3958160.609 5791512.11 2427261.133 1107661.662 1672614.028 2863532.543 2031782.646 645464.2347 197825.919 1779041.151 1389429.983 1919209.924 3306570.596 4208632.4 2567521.071 2504790.268 5319047.594 847219.7974 886672.0453 2391213.307 3100558.927 2471056.504 2535487.551 2096361.064 4280485.54 4814458.255 642631.5488 693496.9379 995829.9941 872723.2066 689515.6034 7256211.531 2186490.209 1363983.196 2780657.348 2226030.532 2767333.151 2716322.187 30913.96124 27157.84504 2291923.913 1870272.391 3698322.551 1426640.44 1783652.176 3839457.927 1513979.069 4394469.407 2540699.025 1447832.135 1993899.527 2016142.018 3173417.701 2076480.215 2056218.368 1337206.123 1163439.326 691754.7345 3614500.847 3044024.419 176153.1233 1336580.345 1047429.104 5069265.127 2085590.139 546546.399 1809172.608 2788040.166 559032.3015 1487162.267 2330153.747 1605088.241 1073243.387 3863434.884 994017.7393 4320965.384 3579785.449 2797051.809 1552806.944 3431426.835 1207785.174 4103521.915 3639390.837 1700825.144 675588.7318 3197166.257 3160451.388 1110567.34 1729865.939 6945496.623 2916454.14 1064058.031 4145241.986 4151007.94 3553621.32 3132222.385 2925204.671 881036.9289 6546265.318 2713107.956 4563342.914 83674.7803 3450286.543 2166053.334 5385925.31 5195558.115 6183551.524 2314973.371 2475308.408 2166985.731 3846836.123 4522403.785 4091661.283 2357639.744 38167.77884 30058.36663 36416.18231 29691.8034 33775.42357 (15Z)-9,12,13-Trihydroxy-15-octadecenoic acid 164448.8115 7559099.58 101731738.9 93891016.43 1693514.904 967154.9856 1833148.542 1151386.545 1329005.25 1550749.583 611563.2253 1047899.641 1066119.787 1251465.014 1450544.646 1705205.12 2479034.226 1318491.39 958943.3696 1560287.575 794363.8293 1042228.263 1445984.759 1430049.26 813967.5558 106469232.8 98345584.29 1144457.96 896277.7202 1008390.625 859079.064 1727969.471 1034545.019 1450849.034 2130818.104 1099720.838 1754771.828 2335088.767 1028820.352 2376181.959 1445283.362 1080856.816 1264063.288 1561314.483 2407191.023 587662.2254 1434230.848 645424.2191 102768732.9 96928909.37 1735378.057 788858.6611 1207905.431 2790404.72 632233.9766 1716638.818 1286585.213 712803.4388 383253.249 1550726.723 1583284.288 1352251.495 1955439.942 1563421.533 814788.8814 1149703.079 678720.0588 1710279.411 854204.3877 728642.2992 979509.1766 105243107.2 111825665.1 717407.4498 3360283.788 579775.0868 1259510.099 2161871.171 798396.2778 2033776.715 1396646.081 1010253.92 819622.4485 3799512.47 1595936.071 739474.2172 1980480.743 1479875.323 1093513.42 2426209.56 3633549.516 1721304.771 1135886.028 118694466 111759278.6 424267.6675 189930.8446 104886895.8 98390068.42 728147.1938 799380.9714 1082585.331 465515.8508 844180.1045 1329150.653 1763022.335 2102903.601 1224468.101 727237.151 1379336.973 964407.5956 1037743.308 1420096.575 2134121.511 732557.0861 138896061.6 117398034.2 1567960.076 889619.3929 2306444.2 1234464.71 1780158.148 2018254.307 1366564.441 1042927.85 952537.534 1401615.067 1566329.433 1919698.696 113211.594 1129513.952 614164.9934 140481624.4 114826689.7 568348.3103 980520.4872 1392936.246 2122308.746 2147223.948 736534.3499 1553068.221 565937.5712 1097004.412 264394.8641 921437.269 905405.5515 445604.8125 1947943.732 2536815.553 130471519.9 134889303.3 1856218.695 625317.03 920596.5141 773604.6605 666430.1225 972560.9116 705371.7207 75293.73756 2221612.673 444114.7441 2289774.945 1329253.676 2519681.513 1946090.114 3082451.27 839122.3392 1536962.666 133759242.2 123336485.5 10111451.89 288231.0838 335585.5514 660092.2154 317416.8755 491381.6623 (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid 65209.31605 139465.9136 398901.9739 1077947.32 262122.6255 400707.2802 311187.7661 241540.4585 423178.8399 174720.2703 697851.4863 148411.9953 194998.4892 996571.632 200323.472 239521.3279 248978.6001 902359.8436 197955.9561 235771.9999 323860.0602 354499.7197 752218.8032 158565.5538 774015.5982 508420.6149 231835.2928 412604.403 142352.2794 554076.888 123556.5117 233202.3919 462478.1506 270509.4323 640830.6222 1153275.952 146444.6316 498769.4442 823789.451 227556.5564 141865.7797 607888.4404 435113.9337 644574.2176 627355.6028 1563704.101 451633.5524 148134.9223 1231109.601 1275273.871 164325.587 150786.2331 659493.7462 320344.4408 1010879.688 1217588.673 1011171.814 735397.5399 586553.399 840525.5965 443573.4914 1024877.112 368252.2915 387500.1232 596306.1443 181063.249 697692.6446 1793424.226 177757.6563 174672.7994 1020584.726 227411.36 1355421.48 756605.6872 236769.4829 317848.7409 47688.0846 583494.9438 480238.1591 182906.0629 121823.2577 669942.5422 163068.1387 723418.9504 1243929.279 162272.267 260688.4898 238923.5609 157679.8751 451242.9238 541586.2186 243638.4722 155232.3999 219062.65 2132245.964 66907.85173 47855.73694 1972895.063 2018138.229 122601.6979 239680.8574 1087013.814 1004711.861 1090920.371 1771180.899 290406.961 183776.3587 147092.9764 371073.8715 1193317.474 1389947.814 934914.1534 1034833.783 523680.7091 219744.1015 568978.8695 198744.2825 37507.67627 826413.7091 534229.3336 243412.8695 1514130.565 271811.6856 1068892.73 276327.8766 880739.2355 99225.93633 705453.6356 1246677.188 1199588.037 2057291.707 343554.9823 96929.03794 387325.1356 237570.6289 274994.2946 1768810.955 151844.8131 97430.54689 875393.5298 1171448.884 2057428.25 938434.8409 286274.6256 515851.1338 1456342.82 1520435.988 301609.7781 413927.0122 1683330.169 261051.0113 259902.2873 2126930.342 1600515.237 250837.6492 217231.29 1767666.781 287922.8369 59247.66362 950427.7828 199517.5013 953865.7861 155119.1602 881963.5266 209896.5407 1430528.209 1942342.888 202050.5746 1820852.946 174110.2936 131251.675 67737.18933 77671.16436 60132.35351 74093.69469 66407.61457 (2E)-2-Methyl-3-phenyl-2-propen-1-yl hydrogen sulfate 80741.38522 2390133.566 3039553.103 2941588.583 137063.0015 223078.3989 301002.7835 772318.5987 1103005.969 2335840.709 201028.9537 2060143.006 260997.7353 1388604.401 129237.5281 575353.7808 195987.7735 3640244.442 1440684.391 1304698.429 741298.6316 1747768.678 150159.6773 750425.3477 174445.8138 2795208.127 2808680.596 215855.7372 226158.2465 1867408.643 7760176.129 164616.1663 400299.2344 2872571.359 547866.7513 3284166.823 28681274.43 124061.8947 391274.2824 22755717.44 191608.356 1236576.221 392543.9363 1674622.229 187815.2784 477063.2642 6551266.244 1115651.137 2882672.302 2704001.577 780514.492 610688.7453 2681185.871 319357.5225 313681.6722 251390.3986 4088488.767 229246.5658 115603.6301 18348024.44 10276257.19 133794.4077 832784.8151 84232.36885 374704.9366 827632.8446 1832450.768 7567398.603 475548.8236 927576.8309 291734.4389 2675315.538 3239726.351 412203.1299 2256300.2 640888.1951 608385.4103 4025154.033 1309990.581 800537.7774 171555.5473 607231.4364 182598.5095 484036.3217 13923613.23 505402.8516 1885026.82 155949.2884 1172894.125 950453.457 543405.3024 180305.0512 1399709.013 2792359.783 2578512.727 114192.0848 120975.2553 2659936.346 3130783.964 668084.4927 869763.0662 347001.6008 2530106.804 225860.458 3132695.896 3543390.382 3699260.076 320481.5839 327932.4613 738650.6242 478331.7404 922767.314 199720.4639 207489.7941 1158473.581 3997051.706 2933472.004 4814687.668 7047848.618 174964.0568 462563.3949 248863.5121 255326.1553 2786948.376 286514.8892 356737.328 143186.1725 3140761.589 780996.9599 2016671.818 207409.0612 1859252.3 2934298.975 3062932.473 187517.5115 671763.3543 876470.4989 537992.4925 1522743.37 7849518.131 318764.2642 2683489.195 243911.0257 184824.6878 7960488.431 752313.1342 2268432.437 90736.3701 1563255.775 3329885.696 3225129.97 167668.6476 579349.1531 1571890.682 346303.5062 148639.6669 1366485.515 3764173.98 105513.1564 202467.6664 5837507.299 338261.9001 868535.4806 357200.1013 307116.248 3779747.766 7945547.941 721812.7049 3673699.627 3290706.84 2899532.266 96717.45523 100008.4003 70905.94148 118407.3703 193266.3905 (2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid 78361.83757 7464537.909 6603773.625 7327346.211 8760191.533 6506848.64 6566230.572 11338554.61 9278145.206 6821883.809 13839652.78 8956115.526 9891104.511 12133362.54 8624634.851 10060634.85 10609066.5 13696585.77 8895861.976 8621457.488 12702477.3 12211598.84 10282926.41 10500341.3 9087819.302 6548546.896 7540921.8 8445704.82 8649751.416 13191407.86 13589098.71 14030544.57 12937738.97 10449519.95 10423820.09 9377833.071 9064062.713 9025669.686 9362085.537 10652235.83 15458253.66 8170115.662 11293319.98 11417409.71 10906892.21 12357856.93 11102306.46 7726027.902 7038646.696 7409548.382 8300813.674 10251148.78 8521823.046 12817941.13 8345061.93 17963691.41 17314463.21 12713047.84 10980277.66 11082087.89 11774969.17 6386707.413 11337480.61 6751265.53 8991216.867 12911584.99 8834772.369 10292498.33 13386654.55 14140919.56 12809079.41 7470516.15 8665265.664 9681540.531 8315604.173 10017737.68 11334940.65 10106599.58 10647299.22 8778348.516 8452062.652 8669056.047 10347302.73 21390829.97 7134990.266 12327554.87 8433105.039 10291710.97 8331742.079 7820469.158 3241586.749 12550795.89 7324773.553 7988532.012 7986996.527 48004.35903 51214.28805 6785764.93 7596084.814 8632271.171 9026638.333 14584775.29 13730737.82 10211236.57 8329118.811 8739967.535 10715704.88 10427557.17 5573751.626 11419257.42 11776498.69 8656625.586 8126108.062 9594165.801 10307716.82 8715455.307 8263651.192 9048973.768 8321312.202 10785718.66 13811964.79 10893301.78 8142126.436 9300046.807 12148735.54 15828421.71 7705339.624 10280324.57 13623086.73 7099998.798 12641191.62 9739291.289 8288303.968 8825920.616 12713182.84 12945991.97 11533901.43 10952209.41 11273580.8 8391916.275 10849363.58 14068483.33 11602529.18 10173425.95 13835106.43 12593662.84 12151298.59 10854305.1 10718106.85 8317457.066 9603824.082 15877449.34 7117523.688 13717495.58 14277976.12 8915834.649 9697809.997 9615968.16 67442.56388 15087210.66 14501007.03 8032743.636 11541300.25 10232467.12 11812563.13 9432220.183 10645774.68 7671833.808 9244898.16 9729277.681 13224431.01 72486.72847 111261.1402 92483.65645 97200.24174 69121.0958 (2R,3S)-2,3-dimethylmalic acid 14113187.49 148588758.3 78507324.96 117394195.6 229867836.6 364057383 171648716.9 170003554.2 202898832 311955974.5 199626853.5 354100644.5 295477052.7 187939614.6 289077183.5 232221523.6 278361276.4 252753269.7 403822912.9 271090589.9 318115035.7 272455673.7 293397124.9 231935261.7 308199775.5 103008704.2 194692970.5 210195910.3 217138300.7 282634771.9 336147871.6 318638891 303570300.6 228947859.8 365315110.4 266875229.4 267266466.7 215755405.3 227583244.6 260176799.8 376956157.8 253515367.3 222283475.9 214389079 241372957.3 908878840.4 358929590.2 333228971.4 123886089.6 196825561.2 290579626.4 170169342.3 837899226.1 252022506.2 233916705.4 242875296.3 271539054.3 956541182.3 410465625.7 368779319.4 269371295.3 310548363.9 337304405.6 347601124.8 260194981.6 223479672 215163897.3 256092795.4 258045456.6 327032621.8 227127203.8 116752225.5 151253252.5 324143603.7 217649419.2 342931825.1 230725270.2 369472642.7 306024305.4 305630222.3 260550931.2 277330203 374588082.8 291088904 361159104.8 258864845.4 310432118.2 333338483 226731563.5 274819733.4 196519006.8 319943935.3 166874607.5 87005346.07 260091777.4 40284538.89 25195592.3 93918508.15 136906907.1 256071757.7 272468134.3 308737330.6 373093792.3 303012185.5 327821613.9 176600516.1 261849701.6 290510876.8 367832222.6 443215540.5 767916373.1 396007526.7 353678882.5 224678944.7 463672400.2 131090754 243624193.3 1221445529 461416134.5 343029084.7 374541022.4 344714061.6 271562195 340306275.4 507275952.2 274434445.5 364138081.4 313011695.5 337017199.3 408839637.6 355686031.2 370987572.8 210608545.3 238214856.6 367487882.6 250589268.6 422217140.3 287427628.6 316657511.1 389213601.4 407609647.8 361879603.5 307828584.7 474972289.8 466399287.7 348817664.7 342268110.9 340790092.9 424031522.5 217834428.7 283721169.3 351720636 803531203.8 364025508.8 472465133.8 416057179.5 308299458.6 387811401.2 94972041.02 434793049.8 327706074.8 411806408.4 478795402.8 396420889.8 386703032.8 398275871.1 377735914.2 637342035.9 248932886.1 302111274.6 433196683.7 69712120.75 43407763.53 35583515.83 26872980.45 15570455.31 (9Z)-Tetradecenoicacid 83637.93936 253483.9475 326110.7813 191537.9467 1239363.826 1540469.258 718761.0582 3670922.136 1314741.387 516796.1934 255419.3914 1618755.251 1563959.929 461768.6454 1414614.681 800399.7193 517225.7825 772154.6339 627260.1507 1910193.966 687329.5702 921852.2473 999237.7971 4668266.011 1200583.484 168893.9399 163712.8967 2033344.73 1445677.883 1896961.731 244928.9184 665980.0724 705187.5158 635079.7464 1821800.104 1376915.937 730583.9682 3395312.715 2553198.47 1365664.701 1150504.9 1448271.347 2751682.145 2214913.886 476307.9364 641616.1227 1170236.828 1167369.605 396620.8255 1207542.447 497888.9041 733421.5315 992290.7844 1437042.899 1305908.976 1577032.773 2056591.231 597247.0657 765699.2385 163924.4426 1363662.401 3921950.77 2867102.73 1226270.812 214301.4104 1128505.111 1072658.216 306293.3736 1040509.431 1296971.445 2589487.352 185284.6774 290236.2276 1164112.801 1881561.167 599415.5209 1401382.792 567856.4326 734577.2097 1573232.652 1486842.572 1422354.058 794840.8215 840328.9397 338980.8617 1587324.51 954229.032 1640494.366 1349668.133 216467.2888 3796739.353 722773.8887 1026177.657 501646.0806 508698.8314 36830.06414 30421.44312 215601.3602 184601.3661 1144123.619 686715.6487 1764502.852 1056658.085 508743.1707 406690.29 2125275.91 535491.8767 689033.9305 3076216.961 2101621.582 883431.4965 923053.4736 870545.3662 1808772.434 1535659.403 269503.4203 1052958.494 2366919.474 2157327.371 2484442.959 1114520.802 1584969.288 3515646.567 1903500.607 774865.024 2123139.211 5539883.627 4220091.945 904978.5119 697061.1214 1302553.39 2379429.16 475342.1211 1198919.211 1089021.751 211328.6331 289541.2942 1497469.976 2677671.746 357446.167 2349932.122 824535.8877 2213173.968 1457170.927 1056699.935 208414.0522 476909.4461 2841784.465 2457271.687 289090.838 316990.2696 285430.5646 1878951.411 1692326.663 1557811.782 524814.9996 1908366.112 698293.7435 93730.10138 2032299.744 1400844.46 1402268.061 3681718.454 2875519.289 655672.1001 2528877.825 2727265.945 1309871.779 587079.9923 1247365.203 1289226.742 42754.45681 33670.52464 40792.36835 33259.91097 37834.26576 (E)-3-[4-(Sulfooxy)phenyl]acrylic acid 76361.44568 2016963.691 1188787.597 2493211.216 2642910.403 139317.2071 164803.8184 643294.0148 160080.9586 120403.9899 133957.6661 79858.47558 686322.468 164471.9936 122226.8414 793485.9537 185356.1179 253441.3315 166152.6014 2084040.334 104353.5186 2228214.151 3310498.665 2223304.465 2329681.933 990718.3535 2372479.928 101591.6348 213889.9476 152253.2264 1434475.667 710289.4703 4000941.783 1284277.624 4106678.941 89220.84491 1355062.532 326092.7576 110829.2522 1451080.492 316963.2447 202764.3675 123055.8775 160189.9742 177626.9523 149799.7321 125141.6854 160912.8989 1047156.938 1838286.219 820477.63 194391.7715 119842.257 1160499.687 117846.6897 273258.7587 221927.3043 163035.4145 579334.7641 77664.42942 785532.9216 97364.93036 1376135.277 87909.91966 4163307.134 363024.8763 142879.2942 1245277.568 396831.8978 129233.6768 439546.1505 867462.5926 2339382.338 189672.4735 136898.2406 2901579.288 99128.32797 4444383.429 321166.6453 803080.9964 1999312.756 131466.0724 187631.253 457779.0335 800126.1173 558207.9524 116029.7504 2254947.27 1668055.022 93167.79341 118322.8792 229139.7774 82237.62195 895953.9552 2132800.642 107997.5611 114412.7681 828788.4582 2018746.88 854685.5167 85455.37785 105274.6977 184576.3621 213608.3131 211250.5289 207255.7768 582957.2948 836802.369 864374.575 865200.6962 871643.6523 1368503.482 188886.3229 196234.1939 3754205.109 1222212.757 1994533.533 4679484.579 2192318.746 165472.8647 168041.8414 154170.6656 255511.1035 515722.3167 3035574.627 168911.249 123655.8406 258962.4596 2628555.268 135277.7778 1255551.358 1068073.268 1011790.124 2297068.193 98927.52081 88673.97851 180550.9927 162426.3358 2323644.358 156787.5634 127372.8614 128614.5002 712489.8869 1655761.655 143538.2903 298812.8498 625948.9304 85814.23737 810140.5091 816261.7617 2177905.646 126511.365 346644.7953 146646.3681 1398330.845 140576.4815 190443.407 324507.0167 99789.43437 527439.4957 209978.3479 658029.2786 146357.2623 1013392.376 442558.5589 394770.3232 157056.5922 210895.3195 819790.7945 1599868.576 1678484.58 91470.86941 94583.29211 67059.54058 111984.1819 182782.3605 (R)-2-Hydroxyglutarate 5635304.193 16322739.6 13736820.74 13249367.25 11916739.1 10598738.59 8552470.161 32163364.61 10246353.83 10374967.59 19093382.14 11397706.46 11336016.9 9229676.381 17613773.74 9724817.365 21565171.14 23319730.96 8153574.555 18458296.13 15805211.58 14515111.86 12251176.83 11955453.06 16398770.59 10922051.92 11265708.17 17667926.36 15358980.13 10909670.82 15525952.1 15953820.7 21099727.42 15485831.97 10934399.25 10299253.38 13990726.6 13963730.73 9975725.104 10526769.41 15595006.42 10081575.89 16507711.8 9782229.812 9293547.542 13082028.78 16175014.33 20653492.01 12120269.78 11626253.1 10021610.34 30639130.79 10631685.18 19130619.57 17979765.78 20767795.23 24315457.74 27867686.27 8255620.254 12799866.81 23280032.55 10569689.55 16250154.39 11037968.4 13105899.35 20334937.51 10891667.55 27398517.62 10243628.1 14822643.41 18598121.61 14808010.14 16583241.41 8630275.708 11567872.38 17242317.05 11229185.86 12775053.33 14934821.39 15108933.61 13659367.67 13991230.16 12108597.93 30751038.05 15264486.39 17115057.4 13700635.66 19655346.05 13115977.92 12333247.21 20054799.27 14021300.41 14599320.3 14950159.86 21242179.75 7762831.344 2543338.517 11675340.09 18341691.09 14641174.24 11477759.46 17034078.1 12997863.66 10986137.44 13145329.79 10306726.88 13515876.11 20164944.66 8879203.973 15329788.31 14837355.87 15293965.55 21466201.48 19720287.42 17205334.05 19096802.17 18884121.69 20807959.15 14905032.1 13195253.67 13492644.79 18954579.53 24886121.07 11112858.09 18801751.6 15808545.69 11476669.65 15449468.64 17097719.38 15659930.34 16093053.87 8956073.427 15191178.1 21269435.5 15444089.89 28562172.51 15075239.01 22006234.15 14182787.18 13333735.76 14503454.12 10600999.15 24521059.25 20219081.93 16254484.53 10993648.3 27144918.4 15135899.03 15127781.04 20057077.89 16119942.65 25440258.87 19510911.18 17837609.05 19176885.38 11692517.26 17348659.32 15841124.85 10015215.35 28407888.15 72679661.64 17175008.61 17746022.06 17647008.79 14800796.41 14585855.32 15658484.22 16483388.02 25352295.95 23845111.46 24014441.75 3994145.557 3886727.686 7756764.104 6641164.387 9485893.393 (R)-3-(4-Hydroxyphenyl)lactate 167488.9398 19073868.27 17565785.8 18233469.56 29188594.15 41539576.77 8886084.561 32822992.38 11669441.33 9775635.584 26115848.93 24350418.91 28645399.68 20985268.01 27310062.35 21316299.74 19262754.4 59926310.36 13692161.09 21476908.65 24721460.02 17255827.12 21266354.74 25884000.19 20849517.53 18794556.13 23368107.11 15038822.23 14008756.92 30484390.53 57135662.69 13538252.02 28597389.66 38033216.3 31710037.39 23348691.12 18731014.65 42036288.81 17457870.85 20589479.51 20418998.17 17827459.92 14237965.77 27192098.96 14383057.57 39611991.13 18533702.99 32693209.37 20300220.02 21618895.85 16475398 48543942.03 11144760.43 16401070.83 9404515.931 35904911.94 38268456.33 39610213.99 12704790.13 48060774.76 34729238.2 20803700.47 38804781.45 17074375.21 20177868.3 11344440.49 7838025.996 55530892.02 15593451.74 16822232.66 12364679.1 19110947.68 19530448.46 25736561.04 16826946.27 15336315.01 33206992.28 17194188.3 15206627.67 18476197.65 15432732.32 16343932.18 19403096.18 31636611.7 36153715.88 12827173.77 16849111.96 38238316.91 14182835.72 17200376.73 22747876.64 13529038.73 4614312.663 16803317.9 17014499.38 155770.0581 134916.3961 16592273.32 23206088.59 14368419.24 12876229.66 13732916.81 24317183.64 15512684.76 11155103.42 10087877.67 16003341.54 19671734.61 14527852.63 17993909.25 23918840.81 33090302.4 11949544.01 14379634.31 15477654.62 24983196.3 17298599.09 20770873.91 9304362.974 15131672.05 11434378.13 14316155.82 23319417.39 19156145.12 33769426.8 25220274.65 10117852 22783029.13 12604595.44 15801171.74 24538318.76 14895932.42 13157067.51 23450142.67 9436334.429 31494920.72 16400628.93 8423945.505 18411398.3 13354244.35 13130290.8 14746299.23 17022179.52 18990429.21 18885337.53 11063463.04 21536135.27 11906193.37 13314323.8 13344244.94 16434861.99 18627577.71 12907327.03 12569430.18 10969809.91 17301844.44 11501833.49 53587852.34 179422.6173 30282529.86 18329367.03 39149773.4 10097264.46 12212662.67 21522886.03 6259421.621 21310419.88 10351359.21 26290168.04 16235163.65 13049320.12 138697.4806 200000.3013 163055.7869 248263.3465 143893.9497 (R)-3-Hydroxybutanoate 1105606.748 157334838.3 121592627 146670242.5 320320440.2 349940105 139420597.2 281123533.1 144219855.2 177650246.1 123643021.3 286736438.5 177330434.9 195733063.7 198126664.7 215214903.1 158775542 141494616.7 253659985.4 112992005.4 173438917.6 159268604.7 219711438.4 349109137.9 248636988.7 110682037.4 140180584.4 157850854.9 105810925.2 275337396.4 233502556.1 158444429.4 136348874.9 151973608 285720512.2 113619414 110992824 427074131.5 310758449.5 144609476.8 246981500.1 134636622.6 138627295.5 260593622.2 147803018.6 346972909.6 156638979.7 226511865.4 112368672.7 137677541.1 147017592.4 256909454.1 712805316.3 148721332.1 148151302.3 201833036.9 410704172.6 1202671965 137336250.4 175003431.8 228879959.5 364446361.5 131611606.5 222094627.2 145638369.1 165559482 274317342.3 235997344.7 155120564.2 414417605.7 118972018.3 113802915.3 144408739.7 212619914.7 266583084.5 84597056.63 188120766.4 148957768.6 218176525.5 142358098 170774646.1 224067229.1 153023467 286078285.6 214298102.3 156718205.9 188990135.7 149436510.5 126089760.3 81051185.22 373536675.5 115816495.6 145405565.4 128189959.2 127602065.4 1039801.023 963877.2024 104258994.8 124859958.3 124659612 187945780.1 272454404.6 109133081.8 134377941.6 130509758.4 135352844.9 150496933.3 138504645.6 316085568.3 182099600.3 338614921.4 123964194.2 128733681.7 182246328.7 289084041.2 136267520.6 141372342.5 780720404.3 172673241.8 219328459.4 141017868.7 190373652 394813152.3 190226255.2 199904214.6 339725326.5 133490849.4 189128189.3 147362034.4 229660590.8 120083551 197170688.9 135519738.9 152029780.3 135956098.2 224020872.7 120126998 305103933.4 104135852.4 130960707.2 217775312.2 150387409.8 269328183.1 212429232.2 141942056.2 140946795.1 500299667.9 591438612.3 564573675.6 137799350.1 147756683 248589912.5 420130422.6 149457851.5 211452415.1 125927425.9 136107099.1 245633668.7 996356.6178 252652086.1 129461716.5 183734956 162663026.3 135969869.1 135752959 190150491.5 198641704.6 301630343.5 137581737.1 155471006.1 178430036 1202687.215 1113234.122 2042568.313 956899.3451 1059496.877 (R)-Lactate 46345152.42 12178049158 22563450323 20612282180 10126509580 11970364346 9559161605 16519712137 9603401816 9958613867 7303669070 10511366942 9512406615 8728565743 12035805185 10051163446 17208626408 9633380174 6966859888 9587762563 7282202680 9360837970 11223463242 11523201080 9973277989 22953269400 20655197312 11975425311 8634946309 7031429053 13722593792 9988706041 9130897711 10209988201 9975534793 13582995042 13460464407 8910869881 7387798435 8399284342 9222443186 7868403895 9080286601 8590526042 7850215283 14068574716 6568169330 14876875879 24195844253 20772076409 7977663830 14880957750 7895001578 6835922045 6929927510 13650283961 11279041916 25232350890 8796345782 11645798964 15226960716 9407787342 11783574547 12073769686 10797604376 16322027210 7157567746 11809184664 7105226954 10250387834 7656787077 24549684846 23101655361 10784187943 9800806380 8593432109 12151145369 13395348717 9552437971 16990515807 8061326051 10781016134 9716453768 28031839199 11768184893 6123614776 9124743942 10183740643 8881775345 13838166592 11158644261 12109403706 19564784216 26169306741 21092237190 85655333.11 56967902.35 22877063597 20656975490 13016890238 9594150081 10355330640 10585040452 10336230306 10962331607 18980439148 10949872346 10467150609 7292526697 10587194151 11289467995 8713405147 10701328317 11123706481 10690172462 27535577512 21819484011 11119300495 8992140353 13027377439 6807873827 13099908985 12530422623 11471491578 10627037727 7162247136 8038804024 9136753240 13772598855 9372655674 10627591742 7203023856 27023187866 22870529681 9506141179 12159562015 12800514502 12217971020 11592462763 14107076878 7397330461 8021727166 9540258308 9392633482 12083755605 9590020598 12570580814 12179498579 9817523174 27724708546 24732585772 30191020829 15033213167 7852542948 9902729963 10424062153 9452055753 10164508058 17692258.52 9115153478 9803288956 14646684196 7773574903 12768808171 11066526541 16025138008 9045059133 13602076508 29300784767 25460111364 16512138689 62569932.2 56791674.57 207150795.7 62435958.37 71008420.35 (R)-Malate 16657813.71 52518648.84 225463863.7 206870085.8 71578572.44 82999809.24 65888859.34 234900627.2 65608125.03 76768941.11 47224904.75 68694598.43 60206027.3 43940544.91 130431060.9 59330427.33 141507649.5 128342300 55660380.37 98005781.87 55320373.3 64630479.95 78186299.88 61239345.61 98956689.01 203908519.3 200718455.6 139211949.2 98498026.92 59928456.2 85260019.14 76239769.08 75761836.87 71076432.54 47953162.57 50264145.1 77446312.55 75421815.86 60450847.41 51032366.58 79283025.79 94574635.53 83382349.31 67483286.55 56585628.4 77773495.77 59290019.41 90470203.58 208639982.5 193168027 65337835.49 350490336.5 43894451.19 94097484.75 121727920 147486483.8 127984878.6 150983422.5 50563191.71 61117331.01 82825639.29 35401871.74 72938044.18 76068890.46 51153759.2 148070756.4 40991742.7 93877748.54 49004718.83 67288721.48 108286826.3 258979048.8 277655546.5 37830782.32 107086348.8 98420356.94 77984413.35 91288933.1 75875224.42 119008747.9 69764495.5 97944443.46 65068374.57 139941135.4 81043647.84 70106667.67 125037217.8 91058651.9 101754502.4 74892802.21 116820305.3 76267138.74 101261293.3 257312871.9 231201243.3 7638172.977 9611542.276 217447611.7 198136982.2 89026859.48 60508866.16 95149272.02 92502469.89 65388652.46 51579859.05 89687917.29 121216000.5 83800791.53 59458312.95 64737199.43 70629732.8 85982447.41 83536834.87 98749155.78 98903685.74 250913870.9 202657615.6 87003770.44 116042930.7 150548369.5 63993022.24 72648831.99 109519361.7 80325108.92 63581116.63 88365422.6 68920024.34 75218386.69 85266810.02 74594761.09 61121496.06 63357614.53 241072524.6 243427013.1 78539259.96 154053217.3 93901495.47 159507150.9 96193036.26 111775406.6 87634744.62 62859784.87 124693204.1 92557347.4 83127172.51 94047199.67 179006132.5 96613754.65 81372070.77 236940692.9 247724035 255885730 97802606.32 85631200.2 91782171.89 73321298.2 79859411.28 93869077.41 1553519.546 73698169.72 220634875 135214102 68158346.6 91517001.5 58661114.23 95546982.18 78645874.47 61057933.42 262597561.8 278557860.3 137480996.2 7543986.858 9054656.087 7155214.452 8655855.623 9073682.019 (R)-Pantolactone 3013711.581 1397771610 1389999136 1375001414 1854383342 2171385199 1506439839 1835329605 1326520357 1264090735 1485951537 1976347663 1925663658 1862051722 1728763095 2132802054 1551497096 1515231358 1657197692 1783066219 1460578889 1623459135 1589981630 2191864497 2110783898 1406396695 1474449227 1497383722 1541675915 2052924795 1951344316 1476095676 1658319995 1789676993 1701479950 1940923306 1682092007 1990230957 2069812921 1782473359 1913831051 1404384997 2002086502 1827953044 2000804942 2713440311 1667624695 2449044343 1478255926 1439500047 1867737908 2845003098 3185271232 1538073230 1946580922 1687999790 2460055120 4256361027 2245859188 2292049602 1689947774 2266009692 1342215562 1646396992 1407380092 1806132641 1965303169 1796145988 1709413150 2655830719 1459816540 1541692055 1629665929 2530827018 1973238415 1401440394 2068491974 1786549752 2765601780 1786704916 1333946756 1869808410 2305425920 2288549528 1886825382 1594025485 2318406089 1850512204 2116619906 1591365093 1995561645 2109939077 1362240924 1629747199 1595409491 2436389.025 2206706.592 1459591710 1531224141 1792332718 1800161221 2215009118 1970687109 2028846951 2267081794 1451708578 1821693063 1656162119 2211040730 1693360083 2785708841 1874719610 1647991815 1563621811 1563788041 1897066089 1657253620 3431244967 2668600070 2207193839 1430843206 2076842834 2135347001 1735767219 2372037927 2340675202 1704477878 2132650451 1934939280 2049541597 1723683082 2043557165 1756794495 1746019997 2761202155 2457567493 2973373883 2969312423 2089823647 2444734382 2239370534 1955887323 2318004693 2208697349 2126121713 1963845305 3271545649 2794723223 2648057764 1780691881 1862629189 4346546152 3538676664 1578219183 2290709672 2152574477 1890117087 2604003109 1428275.879 2070894728 1550023108 2046655857 1549503710 2026362236 1942271209 1632372420 2415756782 2988501953 1924778025 1916614140 1894181805 3312269.727 2769257.877 11697180.92 1253811.554 2098235.118 (S)-2-Acetolactate 959395.7661 25787818.26 17595722.44 24557624.35 34775000.92 64970864.93 34173084.38 36533598.25 33141632.96 61042486.3 37765244.82 60171519.58 41518900.31 37407638.74 41355838.49 42807282.04 49523812.41 46889182.49 57153392.95 39713438.27 41729073.52 35624764.55 38490117.56 42608584.03 43086045.76 19122443.74 23209634.71 33469269.93 32130694.67 62608114.26 46837910.66 40044267.5 40994511.43 39843683.6 62171251.08 36434853.57 35771350.91 40061874.66 40577821.52 37741843.84 49224508.19 43352432.15 38860146.75 39750934.93 44747279.45 121488138.8 50248934.44 43952290.52 19945625.86 24430107.58 37800479.43 32453267.09 124525737 21627680.93 42022446.38 47145505.09 45540618.66 153951227.5 59420538.7 45418885.22 45167785.71 35724103.72 41630470.34 46465804.39 52619510.54 38593667.51 37248980.66 32607654.74 47863132.45 43407774.47 41261643.97 18119545.09 30274301.32 44031450.99 41552868.66 46008222.53 40251208.19 48634972.74 50743375.28 38422549.57 40902436.61 47111223.87 52285217.34 51966374.64 46030143.46 44953584.32 35224261.49 42295302.95 41166100.25 35305436.23 37906901.45 42528344.27 29611074.28 20268665.65 30663262.77 863818.9133 917285.5273 16382727.52 25395573.87 45351765.04 35819742.8 45699573.2 47600755.89 38191189.95 50378857.79 31842607.73 43394430.12 39260425.48 46720687.23 59068193.94 111175045.5 43640674.93 40693545.17 39376682.64 70019905.69 25081716.42 30957246.12 196314257.5 54804513.44 49054495.44 43598830.15 41710105.97 47028979.6 42026329.33 65197911.91 45891978.96 46394897.88 43464329.87 43758116.78 47678432.62 47183801.72 50156882.72 24252665.79 30594903.9 48258719.21 40894565.2 63256996.79 44647637.92 39813096.75 58641841.87 46594515.63 43478354.39 54988438.06 59436059.98 28265045.99 42424032.89 41093702.58 50940311.79 46739757.73 24154862.63 34711164.74 45306114.66 125056455.5 63270477.71 56553098.23 58060622.38 48126810.29 49054907.02 7381714.778 52941585.27 52128564.42 48903826.74 54002033.89 43774290.35 55802889.8 44746891.33 43118859.75 80728872.75 28001481.5 35834042.39 52732137 912029.0542 3159869.753 1603885.282 871917.6311 2338893.105 (S)-Methylmalonatesemialdehyde 1098030.173 28991863.47 3164488.958 3336979.273 181651181.8 80997604.47 166902103.3 50703688.87 111382550.6 65485017.38 32981992.53 166086087.2 42136027.29 47738474.48 173749776.9 69000566.15 88905626.41 30960137.7 353332094.2 72066462.59 32683375.2 39313034.86 92443160.6 267975659.2 79889053.99 4794297.52 4943426.843 98327289.31 122221468.7 82084272.36 33450096.01 47490662 46281248.8 28222337.31 95332517.03 25684155.53 22063688.24 322910879.2 239003853.4 47248279.84 44969996.16 64672314.45 241681478.2 71877028.71 39296272.89 49348117.31 53100443.44 25816968.17 5092474.815 4828355.401 39351119.87 72799072.84 851572269.1 130305664.2 230666892.5 89590776.54 241190969.5 575432052.2 41951909.74 39775968.41 70250864.46 157873808.3 84953689.52 68693818.8 52546229.4 137802956.7 134093628 73258870.11 35639749.1 210693737.8 200501107.6 4805744.434 5633142.136 23425651.19 355775649.5 22893373.46 71798615.8 48749120.42 74011168.07 89626729.45 174864149.4 40836047.37 23926596.07 14477549.44 36973739.47 111387567.2 238011595.7 37572306.04 69532915.99 27252993.64 2011476781 24814178.63 68571514.2 4962949.677 5421091.361 1832063.928 2719634.332 4467509.497 5240575.523 37768820.32 25651814.55 300537871.9 33918731.36 28926539.23 46286844.21 55172054.26 47935618.04 41276224.6 318528452.2 44761741.01 62425698.78 36884180.67 53265325.43 280002657.5 47790079.22 5563111.366 6247406.378 1003370605 135790014.7 56923054.21 48480776.87 47312354.78 159076228.2 34796590.69 69099018.76 136368920.8 70259736.54 84465420.87 33859624.91 92925097.29 27288421.44 215299272.5 5900389.332 6141124.235 19837999.01 43329137.32 20293112.69 278005304 40316322.59 25981543.74 73406254.39 31469649.54 299813801.5 208726341.3 39479149.53 36039069.01 112686189.8 222009265.6 701237793.5 5372510.278 6105278.197 32463256.42 124964755.2 61238019.31 67715088.55 17266470.12 44332729.48 46414259.37 3944867.593 38184524.38 59260449.68 87770289.03 91527714.63 27195234.6 28183561.81 194625617.8 82749900.73 66166782.43 6199802.122 6231451.008 32788735.48 2716017.067 1733605.705 1370008.68 1163855.087 3817550.893 [FAmethyl(14:0)]12-methyl-tetradecanoicacid 8494111.48 19670445.12 31670255.33 38082389.48 34702809.88 44476021.29 25648816.47 52585106.52 38587296.86 20837348.45 13091230.25 30853986.58 54949511.29 14816832.54 32138130.96 20155073.29 20774164.41 26739258.39 20071439.84 31659266.18 15728144.01 20519384.69 41330139.53 56314237.99 56533343.95 35031430.73 45615382.22 40918683.33 16483493.57 38091425.1 17459866.15 22313037.48 17015811.41 31284354.41 21339053.73 20812176.48 18456623.7 41869232.07 32160583.82 23139279.53 50906467.42 16346048.52 36068526.54 29627739.79 14832615.57 52500821.44 19397664.41 25692452.98 39188880.29 40825460.77 21293537.98 22634842.4 43518856.37 29357345.4 23755105.96 33960248.35 43818691.68 27304495.04 19734880.91 13853339.41 46094362.05 45725225.74 45280568.33 39025288.82 22481521.83 19240234.31 20588226.22 36940110 25365653.09 31789770.59 48513259.38 37461005.8 51967629.13 32323624.14 48712316.56 18265760.99 29764557.9 23105764.51 37939624.35 40949113.82 57467372.58 25461383.72 27943742.69 51290143.13 25539028.71 41010931.98 20248646.32 24318313.31 26551462.89 16593939.89 32010473.58 12781601.02 15650388.33 40872890.29 46234868.14 1368857.579 866470.2959 36635871.78 38836950.02 31911476 33619702.75 54917138.9 19444602.89 17839336.3 42031672.2 31733131.29 15713241.73 23834772.5 73562906.12 42512780.91 20311857.98 27798354.11 22878648.61 39672906.01 53079807.55 35732211.32 48432177.26 65157636.57 60502996.5 29301903.31 31633808.86 24688268.5 34790885.2 27449355.06 38280461.59 30707332.35 84273471.09 56525797.41 44824565.03 18363795.89 20730241.37 39144699.28 40436518.65 48744569.67 26316280.78 30710953.69 19637209.44 28133121.56 48823732.84 27995364.49 38071388.09 17453583.45 48882668.16 59546587.46 30659605.13 16734352.77 14871104.65 33362264.03 43077822.32 41847324.19 50739066.41 16826064.72 32561401.33 21348324.24 31908197.46 19872115.96 41067199.73 35897186.76 460345.1045 23504287.71 31492246.52 37275962.57 35455947.85 48552332.79 26206575.99 62007491.78 46932923.28 22466780.02 42815505.51 52013218.91 27744989.57 6023777.028 932169.4614 1215281.987 680432.3474 2707624.799 [FAoxo(12:0)]12-oxo-10E-dodecenoicacid 154438.1522 3502635.637 5207301.066 2771075.284 5422029.057 2164924.11 4941912.936 6765751.628 2406449.879 3312845 3706390.89 4357609.055 3176780.653 2298053.949 2609584.439 4578574.519 3054270.359 2799920.54 1579709.795 1083742.987 2632168.126 4619789.764 1972901.184 4560069.026 1976332.538 2851394.257 3834651.561 1879638.142 5156039.35 922748.2802 6861097.52 2544896.164 6311683.38 1532189.956 1982710.283 5090841.198 3739328.365 1485718.29 2877356.675 5141740.107 5026776.879 2420350.786 1671459.097 4079780.36 4594019.308 2738964.194 3091340.593 2649562.477 6457756.147 2177507.614 3698475.248 1477916.528 4180192.151 916584.0701 2863709.94 2732857.464 1763903.73 7905451.741 4625834.426 7811544.408 6370416.607 5592677.851 2245287.006 5251257.892 5118042.872 2680109.023 2035944.468 7541280.62 1263412.28 2412409.179 3967472.46 6393848.714 7553337.717 2738581.342 3334825.764 8115935.793 2017316.861 4190012.558 2761222.689 6423205.958 5695461.04 1677988.61 8318968.321 878630.0574 4722707.4 4202648.281 1903266.842 8070119.47 6309289.089 3363307.925 6141279.284 3879076.812 1108572.629 6977597.725 7399343.066 143709.4499 92392.53935 3950118.801 6839570.441 2981338.424 2335154.969 3070253.598 3143748.07 2449320.85 4833578.844 1545455.23 25235814.23 8005954.327 3958540.445 6308493.555 2482205.424 6428305.971 3220452.209 4439053.647 4813130.11 8813307.193 8037045.324 7265424.419 4981573.941 6045060.136 6267585.34 1925558.845 6547988.969 4534622.222 2268461.762 4609702.347 5221038.619 2602367.718 1036603.203 2190864.432 17189836.77 5006318.047 9328841.674 5187045.955 1765954.545 6331104.903 1617384.943 4965920.203 4419171.845 8937060.21 6073442.356 4759692.399 2896407.269 2837940.225 2076912.283 3454292.698 24133026.14 3831221.087 14234726.15 8648585.884 6278983.449 4917199.266 6118247.991 17931494.92 2596589.884 4626542.113 4469641.896 8150392.316 170992.5674 2254926.558 58205909.11 6750169.786 5024545.695 2079620.58 3610930.186 23858831.06 3447369.242 3882534.659 9238986.249 8926189.103 5281437.992 223163.5095 170477.3925 348339.5804 220937.1471 376759.4715 [ST(2:0)]22S_25S-furospirost-5-en-3beta_26-diol 49979.85658 7238736.499 5443365.724 4903101.832 11879048.39 9734137.973 6945871.376 14704609.75 3893308.22 7155033.104 8617491.392 8577092.273 13280473.98 7389157.942 9700755.504 8070538.804 13691103.23 13455242.02 5684074.868 8886619.744 13075121.64 8040763.83 6553694.15 16602618.5 9005452.813 5523357.26 5413635.729 7241706.272 9363432.246 8335464.709 9276621.211 10646963.48 8371071.318 9628273.656 6907791.315 11292255.43 8272152.419 10483329.54 8892806.354 7056254.314 6101733.776 7961483.467 8051522.135 9122085.147 8957738.984 6474557.571 7623874.54 11141394.48 5268165.048 5515166.871 9215253.968 6812630.493 8323108.598 7532798.635 7753637.779 19301720.95 17328082.79 3617280.45 7246229.791 17626214.91 11819674.11 7483923.369 8098000.97 27408124.88 10572690.23 8893901.659 7261714.303 12368607.97 7794129.182 8043035.904 10755427.21 6059449.243 6370574.28 8446805.51 7202750.412 11960273.61 18513619.9 6680950.926 12197107.15 16053119.01 8473888.327 17920639.91 9184709.441 6712622.564 14404771.01 11215852.9 7401435.506 13404117.33 11387352.9 18864394.25 7474340.327 8088152.339 6566355.047 6549220.342 5666446.013 64385.48985 50335.78973 5611833.056 5059044.751 8701124.249 11081248.37 11169105.35 26312652.3 10338543.42 5389305.541 11182441.27 10190391.58 7342539.361 6427833.015 8134438.141 17302786.46 10211032.67 12366926.55 11127338.43 6688770.393 7462590.247 5949528.371 8719001.025 12327799.65 12695130.09 10072276.47 7822274.382 12673312.4 10211152.77 8318198.614 7846334.715 7281987.52 13834347.3 7189555.301 9828640.981 6804189.863 7664627.668 7307464.938 6303927.083 11013299.25 13777276.38 10400746.47 10141599.85 11182026.62 12297702.5 8297247.242 8437182.54 8003580.205 12051721.31 6082458.609 6654776.664 7838802.938 7784109.67 5854336.708 7018455.614 6620766.616 12814629.47 17272579.9 13406420.29 9606595.482 9258535.796 15242743.69 11941502.88 95416.52971 26732211.82 8695412.494 10937964.3 15289215.8 8893082.065 11323320.32 8592561.678 9877259.564 7519774.795 7389037.484 6853913.074 10249486.1 101077.715 80392.1196 52559.20206 65621.57135 76379.22776 1_3-Dimethyluricacid(Oxytheophylline) 129400.011 2849988.549 690124.0086 1902179.42 352545.4483 6890436.696 368517.1808 12798093.67 349745.1441 341731.6393 14726855.61 1204643.349 748066.7035 309758.1754 417957.9814 10062212.92 3139742.601 4865333.528 236018.7243 12446142.46 269741.9271 5959482.291 10772269.45 829988.3251 5060107.066 694775.9467 2127330.596 446478.4809 1178298.487 857167.7228 1172433.072 312619.3208 18229438.68 4600566.333 17635120.99 383077.2483 1858963.169 4286876.404 394457.8139 5027926.994 304791.2974 1343574.097 287512.156 2128458.734 217203.9022 398716.8956 186825.2458 584506.6546 685531.3324 1276302.898 2048301.945 2248145.16 469635.2054 1665942.072 201888.9573 1302969.724 393479.7657 2180653.712 228328.8115 298669.7054 702880.3682 310785.0608 1894088.431 361796.0008 274155.6263 479001.2041 214063.1905 15619192.79 5215679.671 309129.398 3871534.183 719505.1431 1546486.237 290447.5702 284176.5006 8318512.147 1038522.347 321763.0267 1621381.454 550670.14 2595351.479 324381.7384 982719.5059 1081953.737 1177689.934 655269.0906 285969.3674 6044438.546 4346829.366 355843.3115 725398.7177 324817.3134 622134.9785 700934.8401 1189013.146 60606.03891 78916.07603 674609.5199 1129741.774 6088649.334 261580.0229 323376.1836 1133082.198 257428.0283 1128667.797 543666.4591 5900272.613 225196.6658 232880.7929 5486396.251 2470063.639 23459144.78 281896.1192 343416.0919 326690.1798 677372.6812 1649480.698 30280381.14 523020.9327 387688.6306 202638.9423 1124398.354 1735462.426 328438.813 5260821.913 2081237.685 1347776.408 33658.09042 7001043.67 287663.9985 887748.926 1372827.277 623821.9322 1716330.177 223380.3101 380209.5609 828153.7513 632796.9781 1462161.235 3752818.251 220777.7025 219148.0154 4419373.624 8960986.047 609753.8263 2694620.576 370309.4795 67966652.04 376855.4551 639705.2319 603382.6986 692915.4651 1821665.418 1266837.729 16140593.6 219144.6526 244826.5274 668363.9654 66311.06208 255500.7257 282794.209 8278905.969 3484465.947 318418.1988 4385717.657 515203.868 266757.4429 364157.1518 572188.7564 876020.386 1445032.731 132450.9819 85141.24481 89726.11118 94170.39424 183837.9802 1_5-Anhydro-D-mannitol 463086.5692 85936419.13 82161550.19 66922386.21 60598782.9 9765332.393 38995583.27 46099992.98 54546701.06 8858495.659 91867701.75 116045508 102259893.2 56775585.62 110654349.5 104774671.5 84752075.83 60018861.9 50101210.07 78754879.9 118154875.5 100691001.4 81545716.51 98350943.86 88552058.62 86371355.9 72195954.03 103010339.6 65782971.25 98316571.64 145681132 75839178.85 112553253.9 73253363.33 103313569.3 135874066.2 97527958.53 54762144.78 133103951.5 110480988.7 97804983.48 57294699.05 57139633.05 76610649.24 110374201.7 35571900.11 106175229.5 116074422.7 88295931.46 74289747.55 129550195.4 42378515.64 1728617.099 87525664 62534869.52 83430459.81 81604604.76 1126456.471 71536586.18 83692684.73 171199718.6 164783182.3 117677267.7 79901781.68 145889188.3 79078281.76 81485315.49 116209126.1 74572162.46 144644745.4 112381735.9 97933636.35 85942061.91 131674048.9 74017913.47 81315258.44 120117011.6 102953380.1 138028465.3 44178052.03 77080140.16 107394931.8 87420691.1 80555903.76 169653667.2 51911772.2 82302528.18 124243669 111225960.8 81880378.41 88586332.18 72801286.44 76542741.83 104751387.4 86045966.46 468371.5543 373123.6602 100598204.7 83151892.1 135675450.6 127049719.4 149125968.6 132371200.6 45952508.79 128051340.2 58518072.24 95397824.03 80137354.82 121377018.8 143414203.6 5152582.337 155704726.7 78044929.58 37916910.31 95118125.12 118193184.4 91159118.51 3080596.751 118539156.9 99231845.05 167498453.9 104024739.1 92577128.07 90723224.6 21183799.26 121435877.2 174209268.6 130229421 94289096.99 85561830.53 137097030.2 118511157.9 118067361.1 95723893.99 108510829.9 188686564.9 160515351.3 111707953.8 124921898.4 159430138.5 117201525 217065906.4 104525405 16506843.23 152293775.1 104297365.3 145393683.2 149580369 119197112.8 122166732.2 103634396.7 147344500.3 3748949.464 147834982.7 91336847.75 135880173.7 119444878.9 136587121.9 579494.1813 159582634 89071837.08 126860723 154784892.3 161813880.2 143007316.1 101840254.8 114683185.7 8475215.433 138103378.6 105554067.5 146283556.7 568680.4588 568147.5367 924518.5167 629444.452 514220.8638 1-deoxynojirimycin 87779.23818 7019485.443 5005705.293 5160438.643 4587205.063 4901114.321 6334639.246 5504336.644 6382693.98 3793563.929 5196939.222 4785153.786 4532307.81 7790719.781 5720514.888 8055366.086 5321815.647 5490272.56 4371783.597 6944768.21 6512979.738 6549631.971 2853463.479 7920361.856 7568474.36 5115355.474 5312284.228 3303408.035 4355775.931 6267616.685 9688289.67 5756205.939 10975482.26 6060778.463 7996564.425 5337434.072 5390396.372 5270005.185 8721689.011 7877111.681 6670355.376 7442907.567 6391817.561 8176568.667 5959696.996 7031321.624 10213515.97 6821396.633 4801367.897 5126050.457 7877941.61 6628070.767 4371303.133 4509128.446 8346411.492 11008218.93 12202206.39 8226065.146 11488726.93 9604157.468 8461936.505 6125886.62 4730973.364 6045853.223 9293055.509 5063864.626 8246074.574 4630261.951 10453325.85 6967726.648 5743175.297 5294871.478 5870832.27 10981608.02 6004159.529 5448051.175 11224721.5 7608063.051 2419074.66 6635171.435 7936874.373 5257245.839 5983125.045 5215384.043 6595292.914 9297779.313 5223908.072 5858979.263 7121854.336 13674649.63 8079519.497 10779594.43 3181057.856 5760073.627 5340051.591 93341.34088 88183.77441 5160498.49 5257641.006 8266910.949 8357627.051 9193524.792 8467286.644 8168648.46 2010139.274 11506160.9 7258235.734 5305036.029 5610244.291 4496465.346 4944247.628 4572556.745 4089422.938 7981370.328 4301887.893 6139126.584 5445182.121 4051663.794 9141912.216 4630947.938 4791185.569 6979751.945 3068235.398 5495415.649 8381278.688 9445267.96 2590072.937 5695828.109 8020067.521 6249259.685 5026812.622 6112972.671 6056344.062 5695988.134 10635065.74 3174337.14 10301519.45 5233640.337 7442533.985 6663782.674 6433247.134 9408858.071 7155741.731 9023165.966 4059806.114 8037765.322 7698591.284 5189347.16 6599951.577 6132706.656 6104261.02 17149065.31 4020727.379 10411518.11 4476973.909 3443026.888 5113977.608 77857.82194 117860.2752 9506784.507 4513527.641 7706724.672 11114994.74 7821500.984 5017613.894 4664260.219 22501617.87 4478172.048 6121628.144 6049046.938 9591302.561 120420.8495 91349.74399 209251.6392 123258.6109 112814.1392 1-Methoxy-dec-2-ene-4,6,8-triyne 714382.134 1171737.125 1217284.953 1324104.039 1586038.221 1226898.892 1067632.996 905630.5026 1383890.832 927169.2661 1051782.919 1275788.215 1271644.028 1251949.693 1412481.137 1064497.955 61447006.61 1119469.116 1118236.628 960290.4837 1132460.618 1009872.68 961760.2675 1208553.454 1384379.786 1232066.667 1611782.991 986177.8362 1054850.132 948507.3891 1331940.937 1400864.367 1033566.599 1170252.408 1188657.734 1068733.676 1079849.422 1040789.331 1205326.469 935411.6975 960397.8301 1105463.708 964406.0114 976262.1201 1357868.419 1108774.292 1086048.311 1862243.99 1229026.023 1288438.245 995131.5021 1021652.308 1139567.803 1321455.582 1676420.603 1210065.37 1044172.357 1042236.339 1358335.781 1126711.723 999875.4541 972048.0487 1589725.908 931432.7303 1231316.561 971952.3543 1562267.771 1499542.574 1167205.425 996481.0411 1042783.276 1178673.555 1054868.071 1144599.686 1068454.983 995281.9257 1090453.448 1593190.006 1069576.944 1342580.001 987005.0831 1491753.806 1034305.092 1023937.812 1246948.676 1093731.533 1013188.795 1141414.286 1208087.11 1003997.058 1240537.684 1142687.439 1022769.347 1142921.207 1076429.691 1017796.045 937807.0806 1246532.134 1097542.46 1215964.869 1082991.307 1503147.837 1404409.517 1589533.916 1182214.105 1016754.863 1162780.222 1596591.259 1143969.863 1164394.694 1019720.703 1495956.87 1097337.572 1059889.773 1078061.537 1709688.086 1140700.538 1242327.761 1228022.224 1639559.665 1109148.047 1455840.725 1061388.474 1496298.182 1481289.26 1253900.87 1448517.966 1432066.456 2138684.419 1220905.25 1561215.984 1757491.178 1494832.427 1511054.579 1093907.47 1239798.327 1234923.155 1481474.963 1676407.468 1119536.158 1442013.643 1213229.216 2442943.238 2044468.936 1971282.071 1020910.024 1703879.167 1288560.379 1221935.792 1557003.914 1800521.186 1602189.748 1514395.089 1277356.103 1178310.159 1248590.53 1116848.913 1409056.03 1069416.531 1099513.338 1333091.956 1305700.214 1241112.784 1160841.381 1334367.913 1812624.278 1241451.017 1433567.771 1085120.761 1531333.75 1216840.846 1191731.692 1267426.524 1234825.458 1058905.14 1107478.768 1-methylpropyl-tridecanolide 4090842.866 25146823.62 22574843.36 29351680.1 28359639.24 37118927.03 28695812.72 62963371.87 35754291.25 21831676.34 13682137.89 40103861.57 37360717.14 10576070.51 29284325.58 23232010.76 25491103.52 29993086.23 26757770.75 55224294.7 16945320.76 20871908.22 31168444.98 78900365.8 39104614.19 22531881.88 30094599.51 30849347.11 23243078.2 42141089.05 10452325.96 22926943.6 13749663.84 22135171.28 33570439.61 17516860.46 15924441.57 60048233.63 41137772.08 21218783.98 35573529.7 19695441.31 33540596.33 39948824 14291171.75 42766072.6 23014539.71 26104226.73 23469618.55 30232671.75 18197996.32 30591107.81 48297711.09 36274911.86 36619741.58 32906240.43 39826495.91 31786328.35 18256534.7 15634183.8 40517798.24 68784844.72 54368597.71 36451505.63 19471269.96 22858967.02 33384434.84 30194620.7 24529879.8 29247505.18 58526717.44 28848619.63 32043743.74 25280762.73 55080933.4 15170682.03 27821925.9 23065087.54 35212847.57 29326017.69 39456689.72 22024092.03 31739159.44 40040844.3 17910905.27 36998009.75 21352388.21 37007121.45 25952290.6 12557690.98 55732392.15 14645253.02 24413094.43 31409319.59 31491756.15 1541837.596 1007207.588 10654713.19 32891012.12 28876706.41 33450787.19 47968511.82 17822880.61 15205539.11 28596757.45 43818063.73 16219410.17 26114644.03 65760010.9 44833726.36 15967454.42 16519819 22399620.1 46282436.17 47579353.44 27349465.94 34584886.71 43043620.28 40529556.97 35943436.04 24031340.28 22780082.9 52951414.52 28898044.19 32156303.48 30422290.42 74548563.8 43419940.22 29897533.05 23027447.43 17202541.79 31050032.64 25866350.25 31970656.31 17064589.87 24523710.12 15280063.47 33495977.91 44187816.69 22070979.93 36630797.88 11226779.55 42238003.38 39410006.55 32060436.29 11634041.49 24427343.22 43138032.44 49238378.2 13297641.14 34476863.82 18993706.49 38582319.35 24445312.44 38563017.02 13110936.38 31589852.96 27642139.41 83421.90252 26022458.92 28377235.03 22616157.14 47145420.55 37761224.4 29979106.63 69610848.73 32835737.19 26078802.36 27350611.28 31687205.52 35114931.33 1488353.529 1095709.554 1074832.961 1091240.857 1174205.874 1-Methyluricacid 66238.45986 8828096.209 4386121.103 11317897.21 1873260.084 11671876.12 970839.9258 8800373.457 977334.8251 2398045.835 26604718.59 3288238.249 3673460.328 1251214.524 2174090.874 8420089.823 19162830.57 6688895.109 899194.3636 17291431.15 488979.9503 10154348.62 21282878.4 6521268.337 9809200.706 3599685.439 10951443.04 613441.5075 1868250.745 3776232.267 7179293.459 4475764.391 38971686.54 15145686.35 12230471.99 3439846.677 4802697.378 23251727.81 6059705.048 8127060.981 3349243.459 8388182.633 5704376.636 9008433.245 1304087.542 1080057.482 708717.5462 7330655.07 4406381.6 11112356.48 4209880.243 4189199.562 3346249.886 15066432.64 2277553.785 15771086.37 5338827.937 8040349.069 2237903.497 4826857.713 10528139.84 772776.058 15641652.63 1277561.967 2677824.345 1048288.563 1070879.398 25795002.8 13504039.18 8476134.817 11052147.78 4537518.359 12758703.02 1084515.923 992560.7864 14036357.72 7447769.016 11310631.72 5529877.071 5614794.892 7784506.571 1041878.974 6055024.44 6978580.547 8310000.749 3463662.305 3815984.727 7525420.613 12556365.38 3902546.088 12386598.85 11919258.76 732218.7539 5242548.931 12324775.98 65841.31137 124687.4169 3999182.222 11042993.51 17347416.29 263401.767 749560.5612 12946373.38 6063306.916 4299356.786 481295.1753 13240113.74 6100354.94 1079949.152 14525382.26 5111943.609 21936429.26 1901910.51 8310181.613 8889787.059 5627481.781 12636925.55 71052923.7 5824765.049 6545878.215 6755543.419 3943185.224 9261312.569 3130132.812 27642861.02 3823015.061 5698252.786 5807123.555 17372732.39 410129.1428 4174870.799 4490409.536 3298450.493 13212993 378666.8637 789858.3407 1451321.89 7405695.674 13083593 8396128.227 1788123.61 479280.0807 26880440.14 9947319.11 4664137.727 6577794.786 322178.6585 103187424.9 4057137.805 2013472.155 8154047.975 3994079.292 5767387.178 1687363.087 32243060.37 12679737.55 2272079.149 20993436.28 81353.43391 275244.0517 3855242.594 7313521.308 16308642.49 9819464.257 14133898.06 2971678.331 482878.512 887426.2807 1979732.197 8971240.408 13197743.23 102947.0854 97696.73819 82071.12944 93722.89357 62743.72904 1-Phenyl-1,2-propanedione 116038.5537 12398051.28 13794081.37 13801339.75 14514013.68 14361495.65 8815618.154 16813889.57 10480249.47 10745085.87 16243493.65 13313713.81 14106874.29 18990122.97 11255859.04 17467347.08 13820883.26 18888068.55 7227699.874 13814192.52 15028861.54 13567569.02 15043674.11 18018925.61 13549643.48 14455953.52 15065167.31 11318718.97 11115728.35 13835781.23 23127929.87 13562159.96 14862506.47 15027881.19 16715251.84 15081179.45 13338194.31 14421223.13 13940434.07 13777866.25 13251598.39 10653310.85 12035108.67 17566535.11 13305679.81 18061674.61 14972621.56 15889077.6 14053426.38 14459395.67 16759234.93 10918672.36 12317353.96 14404682.12 10863460.66 18119146.48 19343159.53 17178605.9 13647617.27 17121406.58 16209814.62 13918873.2 19679143.33 11980092.82 16352392.51 10334589.04 13549775.71 15816044.66 15378395.18 14975946.12 12394997.54 14782987.92 16229742.81 16466469.94 12999855.06 11242113.87 18943993.89 15581198.68 15219997.64 13568604.1 7981321.726 14464229.41 15683751.07 24662466.77 16516844.58 8452710.269 12587911.64 13104791.65 15088081.08 13601134.63 10561653.05 15891088.37 11361619.82 15445400.75 13367471.37 127893.6533 130289.8886 14255419.86 14290559.38 18665933.52 13592414.92 13679219.1 16780894.87 15323965.48 16243887.35 13215150.49 13151307.02 12626794.97 12850830.47 17149130.25 19402532.05 17281360.44 12901135.39 10087369.25 14757848.25 19070235.07 15030275.6 17032015.74 15756418.03 14052903.08 13857502.74 16239602.26 18510560.95 12531597.81 15935755.91 14543246.75 14088271.81 14611772.94 14810343.58 16340659.91 14503989.69 18364880.32 16329939.02 15476512.34 14650458.04 19051835.11 16444126.09 13816709.49 15221093.94 16898326.23 13301796.65 17366813.45 16176760.43 11882962.57 22153625.08 14741531.53 13825874.11 15684012.51 15143315.23 16773209.19 16962031.57 19934982.21 14780068.98 14988347.87 17086431.2 14114833.26 14813557.84 18475478.04 179461.2821 13045928.64 13627179.09 16722713.57 15400161.91 15887392.35 13246308.97 14541450.55 14371181.41 11841482.76 17831552.03 16973526.14 15020000.78 176284.5166 135704.6146 168739.3832 248224.8572 148848.2077 1-Pyrroline-4-hydroxy-2-carboxylate 1343617.909 156726206.4 609566575.1 513392269.6 184813433.2 89956375.41 164998866.3 272510324.3 155366974.9 150712800.5 140905914.3 64571652.57 123542817.2 152877586.8 187410233.7 184820192.8 174050242.4 186801380.7 124980272.3 230530640.1 201528041.1 91409593.36 216798170.3 118220179.4 208949042.7 576152782.7 495595660.1 181201756.4 159462701.8 76063753.55 207649411.4 169316184.2 132385377.7 133688949.3 196288654.8 130082309.3 211669715 146145038.2 148156229.1 91724039.34 189661785.4 93997990.59 126724030.9 95503974.62 65307801.56 141490159.6 87181314.11 90750187.04 385991174.8 329844154.4 107913423.4 191575748.8 61300976.06 99133968.12 115700805.9 166800499.1 139702048.4 115997640.7 81198989.54 82993058.27 97719875.29 108468295.5 115680407.6 69846916.85 76364094.26 335768871.2 91349780.68 120344864.7 108071658.3 117166879.3 86376806.73 411025950.9 375785233.5 94607024.24 124397607.8 103593940.4 127514661.9 99372148.07 65025368.64 198709558.3 90211626.11 88280211.48 84244294.78 164211321.5 97192714.7 99532949.53 99103429.34 91867819.32 111642325 129800607.4 160363312.5 120793267 163141145.9 423137159.1 303354548.4 16311999.16 874460.2147 353292648.4 306639890.6 133289803.4 132547035.5 119930664.1 142874199.7 101611823.7 83855439.78 183135992.3 208441635.9 86552943.28 82433276.45 134593441.3 99478011.97 131892688.1 113713554.5 108733048.8 120704070.2 490398379.6 335356133.3 136341551.7 83592439.14 101114011.1 78708884.44 101247388.8 88885164.74 94090157.11 121487455.7 93376088.34 85411997.32 87612567.91 244565938.2 108951382.6 84366106.32 73831193.03 430740469.4 345712098.3 110224676.3 124317048.6 112131828 201700710.4 111366842.4 70025184.74 69915261.07 93414463.55 126835877.5 115308584 129798033.4 93150022.16 171424102.8 121030849.3 96997402.34 436256682.6 385226804.3 267938447.9 69381077.81 120591739.4 121604529.4 89944683.87 86166487.79 124323540.8 1079804.465 111001917.7 193935416 176270609 71621228.19 120426175.7 115239617.1 134348648.7 120970455.5 86688690.53 407508360.1 353490434.8 138706343.3 688537.3277 603409.9133 749627.2551 750008.48 981939.9758 1-Thio-beta-D-glucopyranose 51894.64216 399830.9031 907324.4035 256573.9588 499193.3102 357932.2842 390103.7528 11977538.07 447328.7207 614134.0702 717244.9414 102099.6122 88300.40809 382557.554 1120538.919 521503.1693 3735913.345 362136.7449 731186.7644 611834.0809 364795.1353 449299.759 430543.6794 429471.2715 222541.7116 384902.901 1262252.784 1117197.78 1595724.437 347408.2903 649441.2146 396547.944 909504.1246 386526.8525 486747.0629 444073.201 627573.6838 941925.7717 119283.7612 813054.1206 100169.4588 2221481.178 2209192.631 432096.5209 587571.2721 864821.2435 197886.1014 748234.5224 317793.6581 1053711.862 560018.2972 3564139.775 147569.7107 1495581.342 776492.6799 1189899.335 1893807.194 783348.4427 551279.6594 876641.9786 1230189.881 106845.1084 1344019.492 1130503.128 332645.9393 1058602.099 171827.5405 1363118.148 98146.13772 413497.7691 1658742.229 289288.3714 1082756.225 441154.9989 134966.0841 564867.3556 1172217.749 925099.913 319599.3485 892839.416 2937597.067 150561.1005 1063002.234 989423.6616 297686.4443 199972.4028 158965.3064 298433.8473 483556.9098 6569950.285 210140.3255 1998865.845 378208.9956 573316.8698 605963.1767 57539.81257 57718.95188 168225.7046 823331.8962 195960.8361 95478.66792 214929.3218 678227.1945 482580.7951 590765.2625 556767.0432 370481.937 214678.5916 160926.169 148223.266 227603.3817 369577.3235 325635.4589 1407778.638 308457.5985 934054.2008 739101.5713 3005770.941 128851.6993 207213.2873 620988.4487 179786.4298 382241.4996 713801.5795 101101.6099 467965.6026 316660.8476 155160.3153 108819.5511 141778.058 547971.1377 385926.8116 730508.1067 538098.0158 312403.5915 1126498.791 543469.3142 662071.8875 104376.9286 261125.3214 112857.463 222220.9081 479925.7956 229756.3054 788239.8745 295264.2226 322405.2847 184687.5457 145564.0253 754449.1577 599707.969 167260.8683 261524.7226 143714.464 155623.1203 635712.9279 115225.3759 999714.6495 86205.01159 135027.7703 305672.9659 161351.1791 570044.1693 126354.7586 761783.7892 195061.8943 244011.3405 191556.8504 314977.8674 350132.0934 431662.3939 112881.1 69047.08221 54564.71825 103124.9843 65646.46639 1,6-Dioxacyclododecane-7,12-dione 131844.1471 755515.5821 510486.0544 413827.4692 870545.258 821543.1447 1227418.446 2113539.192 320857.1108 428100.4564 85390.03131 1417016.246 207794.9053 423289.3365 932216.7849 392280.5584 743604.3724 1005810.762 1593254.923 2577059.638 329314.8934 44410.27991 351317.0032 1006013.376 135027.7973 217132.4039 137669.7174 1214982.476 2568143.153 1486193.743 264767.2569 374074.1229 424391.2133 601727.768 1620301.775 469788.8298 352788.9925 2370560.209 4355906.188 324889.0045 430622.7776 4519617.995 875957.4377 1756047.533 705072.9653 453762.7903 245571.9133 357955.168 470942.6872 543685.8786 598667.6046 421549.1721 1123930.222 680491.4602 1758923.468 1716810.764 2570111.384 1524958.503 421590.6816 392691.3986 618322.3292 1111504.955 1045296.4 507943.4196 109485.4036 2483536.244 1278340.184 718283.282 423008.1972 1559081.199 2929648.03 522199.3865 682795.1804 773986.7948 2574315.577 580954.8228 3675325.296 1256393.169 514449.1034 1145685.403 535406.5983 193382.8941 744681.4134 664862.9313 538064.9245 973601.5995 1140332.44 416419.1568 2347657.355 807342.0538 18117501.03 286952.4426 1256143.95 712482.8546 657032.7396 100817.202 158887.8686 522683.1573 719298.0831 854454.2815 401059.564 1457481.098 892174.5997 103612.5223 579460.9611 1419919.201 903462.4236 268669.9482 2622678.644 1248329.008 733241.7637 667690.6432 349121.4746 2493330.468 701690.2835 522290.3001 639065.0803 2136504.113 996337.4384 2324286.704 1382555.798 443151.1392 1247376.974 584335.6958 360866.8092 3238926.736 956250.9195 1022606.378 486925.4549 616734.3894 711374.5254 1476322.351 673502.2635 855235.3007 510547.7436 737126.4819 461238.5262 1459069.443 1156741.23 574512.5997 934782.0502 248087.0232 2800094.347 1132676.001 293131.3496 278920.0369 436357.7371 6072262.581 3861156.83 276137.2896 820504.0312 767828.0123 430596.2028 2808564.108 446247.5185 843133.6671 107181.5218 1405573.931 103667.8282 1096677.98 3414978.517 894215.205 820456.5372 743968.0441 611968.3857 1729531.083 698292.0013 608473.2676 924895.4551 1111730.594 2039355.605 131184.392 124493.9296 100805.474 120655.8713 105406.2494 10-hydroxy-2E-decenoic acid 180115.1607 7422975.571 13001109.46 12232801.05 3941386.976 7967176.117 10350678.52 20260829.65 8745420.205 3196855.868 5532274.332 6207393.446 3478298.621 4344880.583 4818054.715 6642905.921 7636258.006 6286833.416 4102480.542 5611562.066 4061806.952 7931424.241 4440958.038 9017391.809 6061161.607 12354779.78 13800376.19 5343105.044 12957011.18 4933759.785 10476074.16 3006768.347 6076645.693 5312419.646 6708247.442 6387940.306 4208287.201 8190322.302 6913600.349 7409011.687 7194649.104 8628563.971 9033893.243 6068859.677 4832721.989 5572829.166 5685429.116 7657898.335 11965850.27 13083066.94 8310872.176 6331867.875 5608249.006 5752007.66 7646483.591 8916290.875 15847161.83 8620181.587 12688751.36 2670174.529 5938034.754 6912372.228 6693815.047 5180503.905 6428870.553 8720949.89 5147913.334 8989706.529 3412232.75 12743033.96 7086630.454 11695515.29 13999429.51 7013589.946 6935135.674 6971283.024 5455532.043 8968522.603 12929052.69 9773314.286 13581924.97 5099714.852 11137088.99 3284364.755 13205581.31 8069709.777 4070151.959 4991631.8 19458059.21 19023908.2 10830812.91 4362209.467 4875181.791 14422351.11 12918952.62 99331.71147 136281.4437 13858901.6 13333254.44 7617002.86 11445081.43 9030759.611 25791530.58 3733930.009 9599488.064 9207403.304 6136105.843 4732158.468 10952089.95 10097590.02 4577373.643 11882525.36 6625449.355 6042258.19 15714942.74 17051850.22 14860403.96 26262672.06 9362323.094 8444984.086 9322849.26 4500371.463 8442671.197 4394126.539 7039412.4 5863480.692 12289899.69 6531669.814 7054253.452 7630045.078 4134723.612 8050691.748 16170434.59 16282657.43 9540959.217 14355664.61 8414748.464 6283986.768 6470679.585 10115331.19 6029921.814 4627354.473 9198513.052 14521576.4 11677437.97 4483332.069 4055806.873 9055968.692 6937499.041 15642976.13 17023411.39 7863765.636 9233432.538 7543196.276 12278411.61 8048945.79 6343423.909 20644463.88 122112.8247 5953249.321 13515980.24 13173171.98 5106870.789 9371977.641 8422256.356 7208040.865 8012022.988 11126101.6 18961426.42 17858540.89 12681525.96 154193.3707 166572.9352 223011.1408 247869.4368 1012220.993 10-hydroxydecanoicacid 139973.9335 5383819.586 8555884.761 8413269.084 6481215.2 5017668.53 10947705.37 24528886.64 10885070.18 4037878.144 5622069.666 4616800.3 3241976.369 4186857.622 8831679.141 4434387.933 4561128.218 5684585.635 11666004.87 8521991.608 3310171.25 5655978.548 5303221.718 6154180.718 9725253.885 8887314.04 8966277.441 9603888.496 21737666.76 6335502.896 5745068.932 2591073.268 4584357.809 6479648.522 6655586.352 2615288.873 5203979.122 5614035.36 3101323.523 4974320.438 5363348.817 27009158.13 16980776.79 3581368.25 19188586.31 3920852.239 3921241.241 15398760.4 8896353.972 8724603.129 5064860.199 6536125.541 2873959.31 12442740.01 11607657.43 8621745.016 16215341.15 3316657.385 17841078.69 1412963.598 7532655.946 5601226.558 6772764.428 2668879.641 6372273.179 10206431.27 2945114.8 7236148.01 4233315.548 6769286.981 15502251.91 7436889.544 9962815.432 4812719.36 8865511.689 15777933.49 2988341.54 8144789.846 8592377.621 41175321.3 12883104.83 8934504.201 5592559.524 9704729.401 10149671.36 33613393.53 4814474.854 7548639.119 16299244.87 17788783.95 7821241.966 8602692.208 2511761.219 10332599 9888446.802 358248.0793 131356.7518 9029322.609 9653681.916 13092801.84 6357473.512 4319244.09 21331907 7098297.219 9581446.615 18256457.21 20866298.72 11599470.31 10432982.55 8062832.399 3909636.209 11757337 5104705.316 28951529.86 10644079.93 11314177.11 11133042.85 29811581.09 11297651.32 22272295.37 8550973.948 4783252.475 8133358.553 5870015.392 7074859.452 7761388.543 9408307.783 6574530.393 7229428.023 10969579.78 4055520.916 7626753.045 11340781.67 11509181.34 6452022.4 5748758.045 6336633.456 8554447.072 6700784.741 7567009.318 9316934.05 7158858.992 6886320.693 20812295.68 8115888.12 7363677.29 4158302.273 4221665.391 5598006.434 11080195.04 11785075.54 7915543.139 6430417.12 14509507.31 37110354.22 4602100.239 6292607.536 10115134.85 117700.1327 4475545.316 32343900.11 8556321.944 4237972.107 7112700.034 7661841.664 6018982.253 9209907.186 10680995 13508265.25 13093533.3 9215568.417 148621.41 504352.622 79005.61195 459122.2567 102847.8662 10-Oxodecanoate 517541.3636 3091850.223 4804690.557 4623097.101 2676602.181 6768650.387 4681388.843 6682933.534 2427392.569 2884647.597 2685791.802 3625779.137 3092939.047 1385904.977 4118071.14 5741134.367 2524316.817 3655887.812 1796764.809 2880487.797 4289333.257 3786949.026 3076905.392 4623509.379 2967645.724 4673239.067 4894143.647 3464472.104 5112420.936 3087844.835 3299871.166 2997440.431 1829252.552 3296780.102 3825482.356 4363998.366 3364596.216 4352673.386 6656783.63 4785853.799 3824972.164 5884122.383 4098351.573 4725507.155 2355133.29 2699171.258 2891397.935 2291126.492 5169553.936 4889457.737 3432716.203 3805832.96 4265202.911 2305442.723 3059792.306 6023046.182 5527413.349 5497662.216 2567875.001 2020755.303 5533914.583 5317272.848 4866808.657 3681809.37 4112522.68 2913298.141 3878193.982 6517695.952 3591443.79 4124484.632 4569877.5 5479944.337 5822232.58 2148668.724 5111418.444 2878139.541 3939568.84 5511712.389 4297993.572 4419596.742 3893187.973 3249601.294 7294707.529 7014671.485 4201184.991 4427492.126 3590435.607 2887916.458 5969484.149 4414824.274 11133610.7 2988634.418 2551028.651 6080716.185 6666687.362 913743.2749 397917.2839 5225964.172 5905062.207 3148489.044 3808136.837 6259372.452 8355853.263 1950595.345 4507711.784 4008013.279 2201161.524 2320342.69 6730648.957 4743532.848 4683321.338 6886618.257 3856256.543 6322814.177 2951850.712 7498206.467 7237197.756 6109804.212 6203846.175 3925304.778 7377375.137 3582424.836 5961396.128 2252918.348 3778476.638 5514829.125 4499337.858 4474149.37 3665558.493 4138197.283 7447572.033 5953714.613 5401321.529 6516203.341 3679331.272 3057227.175 3761511.79 3528735.857 4607678.649 6277347.996 7712606.748 3397439.128 6701561.194 5048829.206 4433950.285 3556167.609 3636967.899 6313624.643 6470157.766 6905133.225 7855172.572 4819138.966 4090229.846 4395744.58 4063454.789 4020278.2 4568393.448 8410437.45 103778.5152 5315666.669 5951885.946 6987298.863 4197980.125 7439771.075 4757591.147 6229710.523 6550698.053 4350013.522 8083543.371 7352149.75 4894508.355 816412.6248 783815.4006 1603049.059 803102.6038 1012220.993 11(Z)-Eicosenoic acid 563516.8316 25712535.12 28435595.88 35704086.49 20358657.19 29327297.56 31140104.87 61266805.33 37961194.97 36743099.17 15064185.58 41419715.7 24418483.35 12358657.86 40958414.5 21438898.02 28447315.31 17953295.33 40190349.6 39200384.47 15197058.79 43731621.26 32229476.25 42884025.89 43486216.14 29119893.99 36986507.5 36505650.96 35414570.3 42940616.27 7583271.993 26163385.29 19584530.02 23627513.03 22744329.36 19390524.08 21194311.54 35709497.49 50383658.01 21624476.35 35093062.54 19253202.58 75238829.45 31261003.44 16126629.5 28854609.21 22445845.46 19059792.87 27554023.29 32655464.11 14681607.12 40895274.38 75141905.91 49952249.56 42641875.08 33263245.19 34322186.49 60416196.83 24235445.55 21361548.31 53141171.02 51848463.78 45881804.08 78756362.63 24899231.15 30162518.69 27393925.05 34676594.21 20177560.85 42716433.23 47229242.2 25693860.09 34793206.73 18043589.74 49930713.29 18794915 36019539.42 22970393.66 27142197.28 32028501.92 95807764.09 31493917.66 24127310.2 35075322.46 18178890.35 46455138.1 33297769.6 36647231.2 31904723.48 15182009.22 75710385.81 19660319.55 25470983.55 33672385.67 33904631.11 1102313.542 796972.824 33442909.37 37153723.54 24730120.49 31914345.65 59600033.94 22571547.65 29550523.43 30492430.78 40942074.26 21771737.08 27722056.06 101589881.4 46121293.13 18952224.62 20629258.84 35362987.17 59164542.19 53812076.69 40268429.34 47273916.82 35850545.21 71359088.44 43130939.34 18830928.93 42018485.36 78063795.44 31890228.75 31165410.78 34880273.1 101436881 37127567.34 33465061.13 52718205.12 21524095.72 43664459.22 32903368.32 47221933.43 25790349.09 16022026.3 13192496.24 41050813.75 65944970.93 25270122.78 45912009.69 12282750.56 81228208.71 37489100.12 22407567.03 19981637.27 30948733.39 49259944.91 79411755.93 41732207.21 48046522.66 30901316.68 61516778.68 25491127.11 28039935.27 15417499.39 37976532.19 26888517.19 79512.37084 32046290.92 62815482.89 41438819.46 40924753.66 38411140.31 30966289.84 83743952.38 34254914.34 57599200.43 32894414.45 43316107.37 38448696.96 899949.014 886037.0313 869155.3362 966544.6655 937226.7245 11(Z),14(Z)-Eicosadienoic Acid 625697.4889 26459757.3 31823020.2 41467429.47 27720660.57 36985452.06 39575800.31 58555872.93 49148655.79 45104674.45 21006324.54 64179987.81 39278749.99 13321285.65 61164758.55 29857180.04 29866553.13 22831790.73 65993638.76 54565203.27 26338139.02 48072621.04 29852496.17 58191027.83 33990815.48 31988141.06 43732837.71 50481996.99 54683428.78 63322232.22 16634536.94 34807745.25 23190492.96 33091157.12 28900457.11 32516291.58 28734223.57 45983022.93 60904041.13 32608703.38 41225321.3 27439042.05 80195394.14 42631404.75 25543897.84 38764947.46 31793539.17 31757004.73 34350752.76 38884542.95 20285157.53 60357209.01 84187454.02 46399375.24 50513776.42 36665232.13 35186938.08 62053497.07 26432881.12 33265592.08 67240002.2 76100906 52674755.48 97289506.55 37513734.87 56525767.89 40514311.66 34397793.06 24317434.89 41084938.32 69835654.32 25490425.48 45882063.64 29468445.32 52428336.11 20413672.13 45044711.28 25450288.69 37659913.01 45290762.06 104302058 45499949.18 27081436.04 55766423.05 23950562.26 58390620.55 48995089.15 51854635.72 39518206.94 23575393.16 115565421.5 30103611.23 40810746.19 36735542.22 42095606.51 1300995.782 849877.3321 37248157.02 44414399.93 29628879.11 54081771.24 70397096.25 32662074.91 35863023.54 44757067.08 48743772.43 27633992.45 29509975.42 108364297.3 62727253.88 32126405.09 23969595.57 58441287.18 72940703.58 58610707.11 42230989.37 49450266 30592267.59 54549686.05 65096475.17 23061058.04 48913037.85 48681231.14 39145082.76 42347662.67 32084479.78 115908958.7 56949061.59 32966194.84 50285615.4 34888389.19 52931242.91 42810526.97 49098856.33 26317641.99 25437254.6 17345542.77 56815739.71 91595859.46 43430360.1 75378216.07 15339367.6 60157469.53 55751561.33 29306654.3 31691234.2 55255798.13 56727017.43 75999255.15 34756047.6 39728940.79 37682308.87 74588897.14 30645981.94 32457786.06 23553502.6 69301148.33 35752429.11 82968.93879 44555488.38 73916656.23 44233784.06 52388804.97 51548613.67 36229445.42 95661902.33 46871700.2 72333616.58 32547808.63 49620048.15 46338315.26 946971.1699 924554.9019 906939.3244 1008562.37 990789.7513 12-Hydroxydodecanoicacid1 132249.1488 2322356.656 3246292.815 2836679.279 5533994.603 9696039.646 4269687.697 6269126.825 3567205.37 8010390.573 1547518.621 7482559.274 8231490.148 1377599.132 11070728.03 2102176.195 2839964.996 2918367.463 4426146.161 3429034.86 3726705.701 3654253.228 8755064.073 7068192.492 8464344.614 3264324.531 3264573.837 6886266.222 6029463.08 3745091.272 1558630.716 3169720.749 3503643.612 3948883.458 3390201.853 2843760.434 3829949.936 6380789.123 7464040.321 6531753.105 2935435.34 2808490.387 8396859.674 4421872.946 2250799.173 5795614.257 3323875.042 3856376.245 2868319.469 3145628.124 3434222.541 2495503.541 7265413.817 2729267.202 3353230.697 6481414.485 5846027.096 8666552.697 2363618.746 2521920.339 4515148.094 15296678.7 4333404.573 9494162.271 2490829.023 5748825.937 3743274.903 3588707.605 2870314.937 3819571.375 4203317.465 3333096.896 3240484.717 3068679.911 4248562.836 2010437.585 6528087.965 1741409.683 4156637.695 6861576.504 5013491.64 7397673.717 2114552.79 3887459.754 1870359.093 8574881.984 8403796.706 7040081.826 5989777.734 2002234.33 13419034.33 2610688.668 3870381.574 3744616.105 3689853.407 180068.5238 106383.8414 3322490.114 3384142.553 3799756.292 6470305.641 8372678.543 4391363.16 2317144.05 3573429.718 3267686.512 3471699.871 2022944.131 16881157.31 9062689.715 5681440.203 4016916.039 5467341.065 9192780.998 3431036.533 5069027.852 3572446.433 8223703.28 8414857.256 9903733.541 3566181.589 11105768.91 12177196.78 6220235.805 2445477.584 6959694.039 4837005.727 11109379.41 6579803.878 6401546.193 4742555.044 5802385.562 4467477.086 4137842.641 4045612.859 1266260.968 2485739.359 4613090.594 10201330.67 4736012.655 15379688.38 3218942.451 6219376.457 6168312.883 3544061.289 3759661.199 4993953.657 5764628.282 6810770.045 4211967.708 4563673.458 3926664.464 6722533.992 2551330.583 6127359.494 2044017.43 4966626.604 7389332.361 63917.91577 14677150.57 7223181.976 6425567.441 4401296.428 7361291.122 2868106.138 9952686.178 13014146.49 6810480.451 6395970.826 4833830.774 3365459.848 166497.4627 241584.871 349971.3163 249316.0054 368384.868 12-Hydroxydodecanoicacid2 132249.1488 40150.67333 468665.1371 616189.3049 36163.3208 98109.14529 1018722.274 124916.9207 36443.86739 34442.17276 35306.5536 100963.5762 36448.47347 34202.27243 55185.16055 36232.81949 82536.12845 66215.75517 37518.19772 40625.74426 629966.1338 34239.90656 72124.92419 764077.7536 66678.91047 47847.635 847267.5299 1479871.658 3435656.242 1249466.252 40547.21005 449482.238 46279.50329 1262444.808 35844.11288 1017416.382 732229.0314 47473.64441 57616.75538 982293.6203 814628.8213 35681.37343 2786547.446 34786.47484 116759.4334 39401.33392 30565.15561 54176.555 48278.69083 798731.9138 327590.3711 927451.4138 451197.1601 35598.39013 33478.35338 54079.69189 72483.47672 50741.35406 48779.32359 52893.26544 37202.15996 170492.6603 372496.1089 42551.10628 941214.0176 40553.13398 33102.59688 1418185.903 32606.7948 894301.9906 1313836.109 74453.01964 1042537.798 36557.84495 111327.1857 86189.05016 1081575.41 41798.35543 72876.76927 95473.29815 72559.59299 102878.1983 39508.86598 44627.38289 165950.4005 144206.5797 104410.0904 1710293.113 98519.93177 104165.0768 136151.0145 1128331.403 544623.9828 52585.5995 1073186.564 180068.5238 106383.8414 816338.9093 75753.99954 36507.05208 34764.44486 77833.33432 41023.19618 36375.5177 55672.66927 51492.15047 1655836.955 52022.39125 81457.62024 123642.8683 40271.54204 75260.38445 45850.41377 3846826.571 634495.7444 67423.39234 52766.47956 164545.9371 50642.55092 136932.3964 268956.2233 73050.96465 1341837.67 37903.43601 1134123.078 957768.6633 1639394.372 75063.69358 1119803.535 1245106.564 51716.59131 1212079.226 52796.20917 195092.588 53107.95564 117892.7897 40787.03731 902601.0573 61419.05418 209322.5916 104466.4025 1131842.341 1043402.865 149009.5832 37992.71668 1078982.372 175129.2982 128983.2262 109246.1033 54591.42937 79822.79549 44046.45174 43902.03638 35559.73111 68657.77967 40655.10662 1363672.561 61260.8182 40871.79347 114429.0395 153610.8985 58382.74225 44085.76499 132089.9238 861768.8301 36323.49197 1643018.241 66384.72605 107515.5676 56270.80924 1196288.941 166497.4627 241584.871 349971.3163 249316.0054 368384.868 14-hydroxy-12-tetradecenoic acid 87171.456 2910882.672 3714388.203 6460668.435 5616069.072 9634111.967 7856332.066 7335942.084 4635411.772 8469352.561 2044514.89 8781504.484 8990029.267 1365981.16 12996450.22 2550721.154 5508336.911 3645076.579 5175739.24 4768733.398 4333767.26 4077306.504 8160530.811 8957494.354 9162141.974 1283668.244 4034836.058 7671575.506 7248437.95 4279391.422 1947644.409 3174474.174 3839111.901 4861846.57 3295882.226 3498429.753 4650668.445 7590709.88 9701092.264 6726694.031 4335260.218 3311613.392 9144954.082 5415968.745 2817521.618 4521101.88 4675476.796 4923059.893 3329073.594 3766916.071 3158739.059 3231521.222 10476396.83 3610097.085 4735648.542 6531198.719 6909126.563 10256600.58 3490735.884 2464305.432 5495710.437 18584389.5 4570862.178 10317073.79 3651550.485 7741504.074 6998233.155 5423718.972 3823942.342 3954627.389 5676839.532 3511942.54 4324966.975 3977720.028 5348157.297 2277416.557 7749911.398 2191238.15 5885904.434 7436337.505 6367550.3 7888589.09 3179122.82 2446274.647 2364352.813 9917289.989 10223313.66 8933105.495 7076940.271 2090795.494 14707583.17 2935917.701 6838291.507 3716985.204 7052312.331 119023.2674 109117.6202 4304356.283 3702772.913 3711786.285 8565680.443 11521532.53 5835516.147 2450924.722 4323699.853 3607943.907 4115460.405 3239597.01 17578069.85 11319306.44 7160197.773 5125715.398 5230240.832 10936162.89 5495862.871 4716570.985 8033622.648 8419695.189 12548387.09 11281721.24 4097493.384 14192785.38 15241924.13 5336788.117 4113065.324 8770053.854 6244712.02 11165998.88 6036258.643 9951416.925 4869059.512 7682722.066 4731453.526 1423718.728 3411056.801 1848135.412 3223104.365 8444562.044 11829611.47 5534808.933 18771444.89 3545456.255 7557952.988 7451632.297 5008526.937 3644851.565 6382740.651 10783066.47 7907698.374 4686166.277 3337787.434 6315567.691 10448926.92 3700831.239 7267961.361 2951153.174 5758647.131 9420972.654 76002.97267 19615231.01 7641827.699 9317990.176 6934465.711 7065181.219 3852414.074 11442168.07 14177133.13 9674962.984 8745186.141 5004230.853 4231694.412 157024.2041 167836.09 92912.283 103912.1702 142715.2754 16-Hydroxyhexadecanoic acid 918714.7432 5540767.486 18228681.9 10884429.4 6638133.01 9434533.297 5346442.984 29532509.77 5272699.258 4273621.841 5655633.622 8932374.346 8644403.348 2825693.473 5345678.882 5859671.092 7900252.862 10373851.35 3645840.228 6536049.735 6263639.71 13360505.25 5261446.012 12896506.08 7431759.36 17458580.66 25890074.78 4599411.725 5409177.87 7424271.472 4444768.211 4496891.188 2688561.08 10642213.41 7780511.173 4530053.243 3997510.375 9562167.018 13671184.67 6315287.681 9734893.246 3652834.591 7674784.878 10162351.32 4053634.255 7938419.667 4553949.497 6942916.299 20115092.75 20219516.22 4406892.851 3260254.604 8646102.869 8619131.048 3887791.206 6956635.813 8374616.715 1489204.614 4827489.312 10306063.6 11558453.23 18112297.13 8919469.928 9827989.19 6494924.208 5195032.244 5575238.862 7855702.858 5029923.543 9061436.728 7247176.985 18900276.27 9851513.782 1193079.669 6444003.164 2442152.577 7150458.448 4459525.086 8991567.742 10857284.4 13723207.53 7483615.854 7791756.486 11136561.4 6828647.882 5577937.159 4410056.089 9082596.758 8008444.216 4982862.913 11541959.84 9380150.909 3742195.441 8863818.777 25668894.94 805573.3014 711427.5388 19205142.19 24812271.67 9958877.543 12750898.9 10658643 7628427.213 2621724.266 6288164.476 9018690.167 6471673.132 6672322.689 35237425.93 9315256.515 5553368.46 5907693.78 5301718.662 7616316.847 13561004.23 23177091.11 9712367.943 15460684.36 12722714.35 7937552.738 8342105.162 8232759.224 13694163.34 9806782.093 11048718.41 19481252.74 28356724.36 21042366.9 7031294.576 8472947.148 7464407.789 13938970.74 7361379.703 25617000.48 3811462.302 12268091.01 4053292.254 6076910.558 7214329.372 5483874.12 17125928.51 4124293.295 13810697.33 12027220.53 12936870.78 5006327.52 17851843.06 9346864.353 10580056.15 23286583.68 29093375.2 5889892.83 13882754.1 7050094.536 10600078.12 7982689.581 3346956.185 11481976.93 156528.8189 6495385.035 6985244.026 7780270.895 13922418.19 9064660.346 6246873.853 12517852.06 21135882.56 5899858.277 25400048.89 16300970.61 13284297.17 742629.5445 796708.557 761995.6518 314704.3852 1133804.986 16-O-sulfo-18-norisopimar-7-en-4α,16-diol 734063.7824 7585592.497 9275918.427 7011631.443 1495903.344 2266760.795 739852.9059 457477.447 715920.083 2030547.964 4575075.73 7126751.295 5465837.171 10086405.87 3596939.235 4197152.868 1900557.505 442874.5268 3813429.617 1812321.081 4224714.825 1358151.546 4514895.767 4580912.014 4491262.162 8801124.489 7844196.395 1230258.117 4781687.684 5845428.755 5453154.954 2623239.448 3378099.299 1406136.386 8550899.792 21393706.33 2034388.72 6122411.864 13423701.49 2741414.614 5163049.792 2324567.289 21846143.09 9555490.661 5362064.149 18279130.43 3268679.282 1359668.112 9638811.945 7550381.89 8177522.019 5443583.697 17627696.8 1787376.832 4235233.902 34871276.57 30835224.7 7957374.311 5577159.197 1586781.945 11007887.11 7820710.43 4763632.963 1569948.475 627998.4433 979974.8221 6437773.505 6897129.368 2091531.669 1283777.691 3873537.882 10587102.06 8662922.069 16295502.35 5425629.983 1081061.78 12366503.77 7638166.624 23569727.64 771126.8343 468334.9612 3718097.082 2279193.833 1652479.781 1212596.795 2024056.636 1241548.199 797560.8642 2146677.657 10278370.24 6413644.215 4195138.239 1036011.602 11657692.08 7772753.785 1208646.131 247052.9342 11307342.35 7588086.806 2436001.46 4565151.119 40305803.77 3982470.572 7659191.903 3132135.073 2848621.185 1623178.064 2105282.612 3513910.455 3335244.008 7225679.493 5653923.051 1281296.856 3165172.994 4435832.563 17006779.41 10034554.54 2686657.479 4827834.522 7030229.861 1214747.745 8424140.487 217925.4623 4147485.294 11107096.65 1705233.405 4621712.088 2697400.426 5023457.476 3033086.269 3638902.803 5445468.611 13059684.86 10622406.18 10638264.82 33556864.42 11730097.72 1097479.451 5381062.668 8827042.268 5116743.058 8226612.885 6339951.436 10095800.85 1288076.472 5397033.503 38162100.09 17487689.5 18356350.57 14803890.37 10175845.33 22453900.42 17703394.37 5087977.894 1182963.622 4181007.719 4325470.573 13353302.84 117584.8355 5087119.105 1784491.681 12508931.95 2492730.303 5451139.132 1491293.933 9030677.553 26938030.77 16850681.24 13408876.42 10164541.76 13334446.02 294207.2455 161929.7869 143272.2598 255828.0655 238830.5328 19:1(12Z) 611549.7697 6981958.185 3575663.144 9129237.937 8094043.665 12386522.41 11006958.41 18391187.69 11826182.12 9737185.016 4145287.012 11209722.76 10432715.55 2828075.491 12616171 5799893.358 9294748.936 7642919.005 11815720.19 13148972.55 5421356.935 9173396.538 12072083.96 19071067.3 13703822.79 3355811.98 4928166.109 11073422.53 9749514.077 12785227.26 4497618.357 6868970.273 5151594.773 7349283.046 6067980.785 6128239.633 5794009.514 16975877.05 11940977.71 7185416.598 9205055.194 6198331.764 14724331.27 9610862.794 4756469.903 10960807.8 6725825.17 6925031.017 5696282.977 3134015.85 5099144.926 11148963.48 23715698.68 14057406.31 14676301.3 12930086.06 12177314.5 16912646.56 6370237.154 5166818.76 13450476.31 17956514.33 16751536.18 16379922.21 7089026.511 8582577.499 9542520.589 8772412.922 7303937.813 11515440.07 16855911.77 3234625.843 3300789.236 7428238.638 18499371.34 5507390.359 8915788.578 9409862.691 10688583.23 12298765.69 18262652.62 7369547.368 7165594.81 5300533.058 5631961.519 16023674.53 10447302.83 8980755.71 10902764.05 3469124.996 25325877.93 5219492.465 8451094.086 9093412.786 4452900.318 1271578.814 830660.6562 2575777.936 4130111.338 9377878.321 10836313.7 14515615.64 4959929.086 6058957.507 11525944.36 12499163.49 2925811.938 8214236.283 24237402.57 13875669.61 7283306.678 5918741.807 7867560.893 15792206.16 17532287.66 3939719.218 7738168.171 15265704.4 16175529.38 14747448.28 9270208.606 9467310.859 15284902.8 9007411.285 12165537.51 7573933.322 22889028.12 11715894.04 10352443.72 8757480.202 7437569.505 11473128.49 3447926.626 6403006.478 6011748.738 5716507.477 5613117.2 11570667.82 18930737.11 9045967.161 15273414.45 3158217.484 16886778.4 15959711.08 7845300.67 6183948.576 6913651.886 16035126.96 18671327.42 4609748.248 4609437.626 6161783.219 13272700.94 6504825.879 8412916.753 5076319.198 11773903.26 9041179.727 68699.46346 8632859.135 14719053.21 9729230.138 13743805.58 12857542.52 9162350.986 21391505.45 12668877.13 12066702.7 4276168.31 3588352.968 11171918.72 925559.0938 903649.6827 868307.1101 766822.2512 968386.8881 2-(beta-D-Glucosyl)-sn-glycerol 415521.7314 14560631.2 27422914.07 19074017.35 9116166.247 1380223.521 4840047.959 10195666.29 7350945.116 1050071.823 9069069.948 16327942.23 13714662.21 6563201.692 17934898.41 14422755.15 19027477.93 7716817.422 4517757.971 9879434.183 11819518.15 12714182.95 12258931.32 15735368.92 11883861.21 28301009.42 20087025.69 16923439.1 7406919.755 8106146.129 27078931.14 8970284.364 12896745.52 9379218.238 13074722.98 22957183.54 16913042.49 5649471.814 12437831.5 12102581.57 11638659.89 3028537.886 6379500.079 8195541.707 10421494.47 5619691.63 8871453.643 21466840.98 25259207.44 18149220.81 12521184.18 8093412.237 401351.5877 6530924.487 4281289.023 12270403.67 9961085.396 387298.1412 6974246.958 11003311.27 29812463.2 17239625.87 15204343.73 10900421.64 17935649.22 14576910.87 6252718.682 14589039.13 5331058.252 16257025.08 9098905.028 26456889.2 20599761 15035823.45 7370368.229 7371681.417 15303355.61 14249347.81 14472315.89 9471360.304 6680178.066 12394867.34 8518156.787 24684626.02 20465408.54 3077188.044 7777347.94 12593820.62 10146352.94 11018480.15 9931388.417 8533561.681 15091005.72 27207062.9 17407948.6 420263.8818 381366.0216 22117266.34 16384353.49 18875816.65 12376570.59 15042427.09 13813292.82 4061994.33 13616703.55 10617972.4 10564205.04 7358446.538 10746310.38 15109002.05 394439.5447 12959788.85 7469554.147 3488121.404 9320489.553 31795813.04 17371465.88 717823.4786 9361050.196 11734596.93 10356657.54 11979872.6 9713312.59 9283832.411 1577881.594 8253838.071 12835111.1 11105549.85 11928227.97 7523920.221 12474485.45 7736142.48 28358549.38 18187220.47 8193772.938 20413966.65 16383691.42 11538576.09 12051740.16 18478164.23 7413192.557 14555041.19 8350187.027 809910.8341 14994627.19 7991701.123 16052339.04 15036732.7 9863948.553 27088324.93 20630440.46 43940106.65 574327.555 9472246.514 7255221.588 11150288.73 8217468.248 10786257.53 837948.0357 11739973.55 6487311.153 15323710.25 9592529.763 15369211.26 11796897.73 12048597.76 7238450.779 617861.5205 30112669.28 19685542.5 17549204.74 510269.7953 509791.6109 829558.7916 564792.559 500280.2528 2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol 100926.3315 16847340.01 13253981.54 13341178.94 11993180.16 14161770.31 15237304.76 14286585.49 15352876.87 10664818.43 14579034.93 13475765.75 13132961.46 20544625 14759571.4 20752124.15 14909982.23 15037742.61 12955260.86 18242145.43 17628881.84 16239701.86 8752000.849 20158630.96 19130749.37 13879235.49 14433143.89 9768719.248 12594979.79 17812493.95 25247135.78 14969861.86 26180985.78 16539733.88 21159412.63 15233103.89 14885167.86 14197811.74 22530922.98 21250006.43 16947715.09 18291616.63 16824133.25 21372106.78 15512758.48 20204972.97 25687897.53 18002182.11 14544129.82 14568070.55 20193725.8 18603131.49 14609516.1 12416602.4 20480014.88 28464564.75 32314594.67 23230965.18 27459239.3 24759829.46 21590110.32 18267977.08 13635787.26 15980311.01 23389755.94 14773141.24 22056189.32 13393418.97 26618490.15 20346977.41 15373321.82 15120822.76 16938464.19 27927155.26 16087340.66 15027249.97 30226567.63 19882288.09 9279647.733 18105867.53 20050347.85 14145766.6 17902918.75 15696551.65 19352794.1 23560797.68 15197269.74 16847466.25 18994020.15 34794405.57 22495373.55 28391900.83 10040875.38 16330278.85 15713327.53 107321.4955 101391.4569 14484221.33 14909530.53 21988440.34 21971833.98 24728255.17 23206802.41 22473185.73 7557873.525 28622203.02 19962447.95 14924995.97 15731874.06 13189003.31 15896556.8 13367082.14 11965825.05 20796189.63 13414417.67 18034429.17 16620155.09 15656523.33 23259663.86 13677609.35 13540726.77 20183021.27 9933646.928 14818511.09 24916016.71 24480273.07 8322499.033 16269765.26 20995548.73 17694497.18 15033099.89 16451005.12 17465581.38 17065067.12 28329577.63 10681390.42 28332141.53 16962562.76 19859130.53 19156336.42 18889132.7 25163278.66 19605612.57 24287276.22 13742031.91 22194606.06 22567316 16235691.95 19327850.86 18133315.01 19225224.37 46394914.5 14168847.17 27745438.34 14228010.53 12080212.71 15305152.49 26593768.49 135512.7414 26013002.62 14127803.28 30765791.78 29989898.99 23195967.7 15236730.71 13621783.68 56709965.92 14740145.68 19083015.3 19277589.87 28512955.35 138456.8245 109823.4995 240592.2031 153542.7167 129710.8228 2-Acetamidophenol 51427.5574 39507189.52 38077215.95 11499969.47 575929.9594 109509489.9 128239.4098 57244222 558117.7869 112761.3181 153968.3073 162029.678 200139.6918 128715.9952 276045.2804 111267.9399 120296.6988 125527.6607 591049.5664 231624.8896 345156.919 140691.6671 129299.6485 148140.508 232579.2124 40928774.56 12648986.74 122809.6828 247909.1743 135098.6498 714773.0598 478851.5337 2316134.953 17036934.88 128945.4266 426392.3468 185453.717 281582.8434 176842.2811 129714.5276 192758.2597 131718.7403 317430.2569 129461.1273 526992.8234 179277.1039 126663.5321 163541.3918 44999577.96 12313405.62 377336.1485 199010.4985 191653.7163 178989.4323 146399.6288 425026.229 166684.491 322914.9877 208698.009 158502.5085 136285.931 165660.8945 169949.6518 147995.471 116887.9398 168765.127 137096.1329 152238.0855 121882.9513 57242840.31 340624.5128 39047407.13 15324207.36 195871.1262 11521874.53 162145408.1 141714.6646 1080375378 219977.646 128872.6203 149245.4527 263485.4909 153686.5712 1114261428 449524.7332 317543.6419 196941.179 307121541.7 214092.1597 172764.8776 154445.2098 99256333.69 564548.6332 50160281.2 13603881.48 81360.74841 65099.49611 45751345.99 13711099.27 1131943.754 31768419.4 453231.2833 163851.386 461336.5332 213079.8409 157330.9509 175331.6185 121482.1571 166767.0723 484018.0451 439620.2647 26931896.99 141823.509 132103.5135 193921838.5 58406375.13 13861970.31 3357830.219 6588092.741 196921.9019 119795267.1 7679274.865 170463.6719 566322.5743 160934.587 165590.3532 167010.8794 237998.8015 319338.4626 208731.537 162498.1151 230341.8557 55087361.61 15016687.94 187957.4349 246621.0085 283396.3049 230620.7521 659984.6418 189363.9016 172210.0858 162740.5888 383585.6677 155056.6822 33300756.84 219951.2874 283907.3521 24157771.43 179143.7868 57146551.1 15980283.4 532495.5012 122121.1981 198968.0262 256866.4717 216593.9449 293106.5277 299519.6215 100166.096 217900.0113 253182092.7 509074.5807 381901945.3 286141.9115 222965.5367 178615.3485 448106.4774 248306.3465 64348366.49 18012858.31 64188206.8 281600.8246 265947.5564 1264281.7 252953.3824 299299.2551 2-Carboxy-2_3-dihydro-5_6-dihydroxyindole 125293.4995 10726276.73 4923701.238 13148038.13 27334195.12 9557390.653 364384.4154 12626069.84 4639405.372 2460986.772 24983020.17 9830281.179 23154868.69 3018600.999 2331616.955 17943279.85 2589332.523 3156210.628 1753050.158 4414576.445 1492376.24 2056874.465 8606568.584 338809.2248 4380272.115 4263136.132 12337179.45 254157.0318 2128495.233 2737226.713 33332831.15 4172063.065 64497323.15 22401619.52 10435707.97 203284.7427 1059143.552 70583693.49 1984503.675 8741421.608 1757503.499 14854927.07 1952314.561 9419808.806 3314127.658 8149589.129 6020555.79 20576361.89 3393899.811 9640444.518 12246751.47 5381909.089 178386.3992 7916257.982 2202784.797 8866459.271 12810374.7 1078029.754 684413.3339 484403.5493 850526.8788 1332556.611 3460414.568 3821243.11 7458383.776 4217222.935 189237.18 54627050.8 203853.3114 5097026.895 524231.3971 3426460.293 10232985.41 2408157.947 8477924.42 4689748.507 606728.8136 13130052.02 138789.0207 218844.0924 19382239.63 1672878.759 239099.2333 7004489.231 187362.5624 283275.5827 5217632.073 8106651.075 12638025.82 2131928.133 1076322.043 2904954.537 157789.4387 3676393.908 7991998.065 179331.2739 139224.6643 2703971.177 7384046.139 683667.0269 234976.469 265231.5496 10453804.74 822055.5502 4117166.684 4301145.615 3793533.819 58017704.13 10014392.85 5196278.201 15846353.95 65961746.23 2768798.121 5432947.651 20262392.12 4693944.489 9031929.415 19214029.92 2308987.395 8430531.36 11909467.6 368122.7316 1845105.043 5419490.587 25744226.35 4715867.991 2268972.676 4298930.653 6540358.52 6028686.203 2459333.887 2151851.046 3479524.262 8988416.983 5134238.4 1103633.468 12946639.98 970491.0571 624470.8476 2010686.856 3231005.667 1043718.243 62625892.15 3040211.98 4631002.908 18306835.36 13842734.29 270207.9299 320435.4129 3393112.626 10474939.62 6880316.996 1800641.166 3437892.74 5560617.407 1796083.956 11089676.86 6923535.863 203710.0121 1452220.661 904830.5497 68449557.38 2948952.568 4407214.124 6373694.084 241395.7389 305288.5147 1072736.699 3414090.82 9664795.008 7533358.734 216111.2263 139475.7423 152720.5674 276796.6065 209053.8503 2-chloro-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione 27632.77114 73372.77711 137777.6413 1346522.719 72626.74629 77075.93668 83996.5771 89683.99945 9874128.706 107366.6697 81181.56989 76013.8124 83446.77534 76526.37706 87328.62813 88984.47064 412812.6378 467601.5232 67473.44743 83407.9933 78947.69236 80382.13095 81297.27238 71817.48166 87948.20511 118629.0969 3724161.264 76783.99978 76704.18401 78379.48693 90336.9979 73208.36924 91782.89439 72560.97289 73384.71276 78067.71695 81475.18155 72462.69479 79679.63883 74278.34036 88304.87362 71408.29906 85262.24975 79248.44635 1129002.49 99839.51762 76509.27856 88403.83766 134032.8687 1733770.819 86538.35296 88853.22368 86166.33694 85786.95893 85015.1297 89442.05802 90136.23805 111345.3441 112304.6371 97382.34353 99262.20346 81467.65623 85091.10407 78122.87294 81773.00904 1206579.604 86929.8972 6397490.039 78702.30368 92761.00402 72758.11614 133980.2231 2099393.479 90472.24579 80632.20752 102165.4206 79919.13315 2853041.32 386132.073 489677.3844 85552.47239 84622.24254 102658.9756 123050.3627 837934.5528 100767.5132 78347.54744 106757.7182 86232.46654 77236.86906 94922.05096 118754.9899 81441.64519 132408.4277 1928953.556 30126.48303 26695.55781 145636.1922 1533355.015 434672.9475 84959.348 86929.66023 119692.2402 84379.20774 78226.92691 3781197.755 94318.47835 85170.24814 84717.40003 116220.0975 86237.76327 812109.4095 80823.44912 470805.702 239195.5026 156030.7173 2201574.241 1785770.276 96362.78527 89429.39647 77680.59463 83471.50329 87733.16762 89111.88783 85648.57132 827376.1217 584680.0628 95197.61354 1405730.41 82260.24107 74978.88415 78772.74388 136263.3933 2418656.648 109580.7504 125286.5776 88695.1272 108443.5084 119013.1569 87107.76681 75187.86535 82573.80351 105927.8507 111077.5663 75300.34121 101587.9164 120549.5491 104770.1742 88222.9688 158151.4196 2451184.249 114824.2501 112456.9394 144518.3584 127493.4273 105480.3068 90736.70786 100404.7238 74808.66519 3040894.371 253069.2289 103162.829 66982831.83 89362.15689 92837.62599 228515.029 93481.27556 95080.54798 194369.6117 2553081.502 119627.1366 34123.55047 26873.40531 32557.55175 26545.68284 30196.60577 2-coumarate 81042.92331 1917878.421 451823.0353 486118.3622 3612002.116 2305638.984 1139991.083 1580220.44 888373.0053 1461356.583 2192152.457 1496668.97 1964740.544 2770463.821 1938431.287 3060170.284 857508.5728 2386686.261 646910.4863 1790608.357 1539104.1 2166942.885 2178749.077 2698876.613 2721060.656 494947.9678 545626.3324 1521217.019 1059256.872 1577034.096 3530142.521 2455674.606 3199920.399 2377128.8 3628910.946 2662189.298 1421542.016 2735572.462 1334782.1 1562329.194 2508883.4 2326235.306 1397819.07 3279014.869 3399360.525 2911413.29 2038670.924 2258071.182 523765.4239 506290.4827 3891300.126 1262919.088 1805103.177 2668006.071 1338388.059 2056054.029 3103319.442 5588066.001 3317225.814 3975654.946 3653583.415 1390134.989 4665874.468 1596363.677 2704894.646 1170885.3 2670006.649 2942783.431 2381781.048 2189367.594 1679220.59 528314.3512 601960.5681 3717488.901 2192533.145 1649635.754 3318067.935 3757930.245 5159674.449 2775937.106 1322444.445 1967846.381 5274627.02 3303594.362 1766869.78 1029924.742 1599157.793 1500344.087 4602237.637 2376543.224 1200253.591 3441108.791 1282280.539 542217.3233 579014.2946 103814.5393 221992.3411 512290.6594 538144.8969 3875775.251 1902013.426 2120052.847 3898865.092 2383435.12 5274362.017 1401904.364 2495637.229 2929366.643 1406695.608 1546027.304 5978551.551 3268314.709 2448188.376 744002.5412 2881604.565 661614.8204 627427.2184 4340626.436 3501320.551 2343193.89 2180544.956 3316330.796 3316099.768 2345376.593 4469146.643 3723869.132 1678835.141 427975.5433 3507608.801 3894700.694 2096944.611 3577757.229 598982.1728 618897.8516 5040024.358 5824602.6 4584551.137 2298757.33 2915816.736 4891423.797 2289560.3 3556666.175 2671272.575 2534134.882 3650749.764 2895843.206 2461879.167 2835889.548 2436145.474 636807.1533 730886.8247 3617790.641 3757587.292 3350459.82 1760379.394 4300097.428 3598174.391 4948174.1 127623.7614 2000154.053 775469.0659 3449386.951 1814129.28 3334877.585 2605095.8 1678741.973 6697627.962 4359068.407 640147.9985 707696.7727 3385111.437 161152.0984 174090.3511 94066.12526 145634.366 103794.1267 2-Dehydro-D-gluconate 123056.8533 9714166.999 9459232.506 12703591.5 7478571.807 7294398.508 6290764.285 15792321.64 5250843.026 6946194.597 15591503.85 5929642.678 6691600.02 8218599.126 6719804.812 5730730.896 49058302.25 41982184.56 5674112.169 7000325.537 5987327.991 7242284.298 6440663.239 9413320.308 4508417.971 8110837.276 11497665.16 6614935.466 5955150.959 9113345.157 9627492.837 10385817.09 10029859.72 7187427.255 7591857.914 4065878.316 5015004.582 8909553.305 6059117.693 6024516.219 8977658.197 6805666.976 5657639.987 7771667.568 6090995.718 10005061.52 6490261.784 5822886.773 7901021.41 11221274.48 5177931.895 9220419.995 7691513.978 9600266.259 5266148.136 15282170.19 15350310.74 16694942.47 5889313.296 10562484.39 8329887.444 4645745.986 9634026.296 6236281.119 8294888.086 7519843.56 6216193.232 15184889.63 5324116.032 8371983.303 10180198.64 8977773.249 13331462.52 4736208.678 6393980.594 8976486.732 7359502.143 9202357.142 8799468.31 9724060.516 7094585.436 6067060.3 7605583.34 10670620.37 6477317.383 4899266.537 5660569.579 7868323.112 6052472.685 6681212.136 7423367.494 17381492.99 5787780.694 9174168.358 11614774.04 49641.50569 99010.20951 7751099.807 11350626.84 8546934.967 4366688.594 7570905.242 7917367.973 4481615.869 8017761.101 6609006.085 9545183.317 7567713.638 6664113.576 27365847.11 7763789.007 9532001.032 6225489.582 5715621.391 9825865.854 8958127.698 10714063.3 10953373.83 9421309.892 6000605.967 8748511.075 5094286.545 10153318.52 5752747.504 10114359.9 7007099.802 8543861.849 6209110.209 7539680.721 7236681.314 6443072.648 5847361.588 8533403.126 11577294.91 5309666.954 11830530.2 5784661.684 6537595.935 5828189.383 6239332.603 4489974.731 5333736.602 9153251.447 8106984.756 14819853.46 5580211.962 8369534.617 9818416.858 6903251.544 8472138.979 12604179.92 6810741.455 7219096.63 7329041.212 9805546.508 11942250.92 5853387.508 6264001.8 69742.63349 4737502.881 10436943.36 6022434.229 7029900.672 5861660.518 6886303.044 6254851.146 4124003.019 5608702.263 8852725.694 12768936.77 13494589.96 74958.82491 115055.604 161133.7052 100515.1709 73945.81205 2-hydroxy hendecanoic acid 103111.3287 1034695.116 1166873.574 924040.4664 1754853.536 2363412.635 1559843.433 2381209.417 1275352.138 1146737.197 404841.0076 1146615.611 1066904.288 549023.5145 2386120.869 976924.0711 431030.3182 742546.9948 513484.4695 589188.2469 2208736.147 473984.6238 3198251.214 1214305.219 3743544.025 1175866.951 641187.2376 824771.095 1512301.796 919663.2362 976967.9523 1725786.362 825131.7489 1191445.888 541225.8487 581436.6886 1167603.3 978851.4855 1208526.607 1086911.196 1451237.245 803480.6663 1381418.509 1085120.041 776519.6396 396134.1093 1358679.149 831922.9275 1450502.25 869128.5845 2102731.217 1026877.687 1640696.354 1008353.262 1030503.181 2404548.565 1887035.338 1367409.747 672530.3462 969322.8577 926736.3589 1434852.692 1208552.291 1443507.425 163334.8066 1067068.545 906130.4241 1129194.151 1623404.51 1715352.821 1289481.935 1152790.249 1184675.67 324971.8379 1560398.642 846988.6913 1959940.158 1188805.327 1136834.228 2030972.941 1825873.435 2232319.515 917064.7895 372986.9888 1760699.07 2221135.895 1514021.052 796108.8439 2117222.058 627308.5465 1143161.861 300493.3782 425881.1082 1123575.94 1161500.474 94313.93336 86199.85563 1164902.248 1094282.725 1708749.421 1821115.519 3024567.045 2106613.825 403882.0106 1412480.293 1883336.204 1325506.774 764722.9553 4603834.99 3401116.908 1202162.595 4832404.247 411982.4989 1301490.013 1002875.467 1727145.186 1241546.302 3940101.194 3970531.998 1421652.822 4245177.927 1516098.777 2010331.159 1276935.513 1421479.035 3449622.841 2209353.963 1843286.521 3481845.834 2286202.084 2778877.982 2038884.428 1395257.013 1169286.922 3466420.719 3006771.686 1878532.61 1501680.185 3446254.889 4232558.536 5176822.131 2387420.977 5418683.147 4627443.891 497743.0125 612228.4613 601956.5397 1670859.034 3672376.464 1527901.383 1129093.367 1305748.423 1234843.093 1279265.379 845096.2111 1376919.237 918522.6612 4145834.729 99787.86178 2243552.002 2504817.549 3124689.205 1771815.283 3251459.881 898235.559 3077641.387 2436837.034 1250496.834 1907674.507 1546448.134 1597844.488 61927.57048 162007.8562 205703.1796 196976.4546 137536.5088 2-hydroxy palmitic acid 574708.6904 5911807.593 7762612.822 17193861.89 9109736.16 3483504.858 10428169.41 6965974.278 7528018.451 6766650.339 7606744.472 8031665.82 6780883.401 1748605.505 10142936.1 8509319.831 7506666.71 6974612.981 3767992.997 11113283.6 5110692.55 8267634.975 9266981.733 14439134.98 10080400.66 16620233.9 16452227.36 5332032.402 7795223.202 10747606.36 3497961.621 8960774.597 5211342.167 6268655.378 7369529.505 6990813.623 6632603.296 10069796.33 10024237.81 2533746.101 8154940.09 8081007.825 13857902.44 8359942.032 6763603.584 5998169.52 7840606.848 4443293.251 12195341.74 7047136.761 5258616.239 8108187.477 9362560.105 11701184.99 9624906.257 10101596.91 12010031.66 3591417.982 5121935.13 4429998.282 9309578.181 8080881.897 3958265.561 19580582.09 8812226.544 8203537.165 8905070.963 11593081.69 6852751.924 8952273.17 12566539.91 15062356.4 23297265.07 3649870.22 7494727.031 4125465.008 11225008.78 6134212.84 5101494.27 8192845.316 12018772.44 5879309.855 11522095.99 3801651.953 6273042.272 10758328.66 10975720.25 6593277.042 6900605.178 9009588.093 11967084.37 4452409.893 4113153.732 11671547.34 16536056.78 1154558.358 845753.0278 18600820.03 16704241.77 6309726.299 8957535.67 11003148.73 3007750.984 5387994.891 8516393.781 12112613.63 6974967.339 9250284.392 10237690.8 13956673.42 4799298.516 8839359.316 7484118.824 10089771.96 13318814.08 21833908.41 28503105.59 5159575.478 16642010.41 8691167.78 5195869.326 8046673.977 9526364.637 3494279.642 9381208.64 7990701.596 12394146.9 5730758.939 7214998.741 7862288.205 7974295.15 4562899.612 14642176.04 26828369.41 9329535.622 8650013.806 9551960.711 10783845.21 15991158.17 7675082.15 12634128.94 2640135.719 12710590.56 14609650.31 6593755.818 7048288.337 13130100.61 12904590.6 14704816.37 29367170.64 25570029.31 13288512.7 13348207.54 11553810.26 8552802.988 5559580.558 8954986.806 6542917.056 90786.94429 12246023.69 16993100.45 8186800.523 21543345.8 12610653.14 8898304.063 14214400.08 5208120.674 9250872.361 23384105.5 23657102.36 9103097.461 897460.472 1011673.954 992398.4942 1103597.287 337617.0278 2-Hydroxy-5-vinylphenyl hydrogen sulfate 78213.6938 15678571.95 6721410.435 9785038.979 2118242.926 142696.5307 396393.0446 1146052.493 359389.141 942665.2497 357533.2463 284670.7974 957451.8565 1196861.979 373678.6012 720978.4941 588600.2928 448279.409 711800.2851 3012026.384 657091.4621 762790.3865 582618.5274 1069995.181 868953.1571 5609662.449 8402262.485 183455.5126 496496.7155 724856.6168 4914800.954 1221236.811 16402327.56 30134543.12 1228375.811 605808.7376 226543.4811 109431735.4 642634.6907 1045944.942 208528.2273 1011514.812 601553.8498 164075.5944 294756.4122 2108398.098 1093338.363 1415237.632 4759204.786 7836760.276 1797062.499 50353296.98 151407.2384 3597572.948 768261.3834 609238.7686 887931.7522 166990.0547 1621956.199 309882.5893 184171.7518 103464.2572 1047378.465 580324.9122 2637774.089 823259.0732 217180.7103 12937149.59 287125.8707 4674010.653 5955469.284 4163420.351 7379660.923 848596.4866 2463752.726 6469342.588 414941.902 2019769.634 317768.8976 2681089.622 3779166.914 134654.9563 281019.4215 468883.0709 2094919.949 6175017.894 585342.9364 4772759.46 2073308.738 4919310.498 499412.0522 1220214.532 484688.387 5755566.904 5720596.201 110617.1851 117188.0015 5308234.225 7094164.813 1079275.206 1057439.027 147420.5251 1301212.183 952838.1361 630369.0222 1809605.71 622698.1266 1406163.943 1089403.711 795455.9627 660756.3878 1413039.305 193468.0111 1297217.536 237125.56 6226509.67 7040723.764 641450627.6 4677125.315 169486.6285 969472.0202 292479.1612 174483.9489 1956510.897 6686131.831 1153541.645 537044.2003 235510.7994 1194303.344 2324449.683 1892054.583 310972.0274 6455465.505 7040806.044 1531234.983 5834265.651 363126.529 166366.2019 501336.0639 2987524.111 130462.459 189245.0808 3998288.681 19264051.41 878649.3032 994852.4231 12173366.77 567110.3548 174304.0463 4377105.664 7489982.82 281781.9104 537920.0266 1036175.616 20396496.07 132843.4143 264550.6693 3640608.419 102209.9594 165710.8125 604249.7404 1153278.026 275857.5003 437617.9708 988515.5041 1030375.762 389104.1841 216010.8651 4199029.868 6842860.064 11464204.3 93689.61663 96877.53527 68686.15866 114700.5068 187215.989 2-Hydroxy-6-ketononatrienedioate 85038.01822 1435330.063 1921879.28 2606382.599 1775377.868 818010.9051 2889724.159 3970648.835 1595103.643 1187288.25 1465366.272 564708.6406 3671855.242 923766.4547 1610782.942 1539526.447 1412382.107 4695280.947 215012.5068 734573.7144 927201.0474 3707863.978 8207815.828 684466.7605 18559967.03 2073876.553 3049277.518 816934.2035 436298.0956 1612237.031 696308.7833 1268725.819 1353331.036 1105761.284 2410226.223 915231.8943 9962707.135 2814763.249 1963304.944 12214426.06 1002548.992 416785.4849 1114658.602 1618181.854 786639.4066 739982.3232 1076021.936 1621876.993 2283060.721 2905630.92 1313924.166 2007040.262 1515012.331 4088880.36 2294196.22 3526988.314 2807133.544 4724818.268 4190098.76 959390.3786 2132408.473 1700656.523 3138386.523 512488.7447 2312789.156 479512.5284 1294222.442 967507.6375 2387920.448 3486649.196 875570.1748 2242931.007 3570473.854 3860000.579 6519959.692 1614310.471 1138651.804 4238866.403 715340.0775 2313047.099 742611.2031 1062908.954 4827723.293 544505.6409 1879526.167 786017.5405 3331723.638 2367978.43 3075613.602 1139593.243 1161103.722 20619637.44 12229088.76 2488567.517 3205564.892 120268.7886 127412.9238 2252414.857 3018530.856 4060059.156 1133676.784 1997306.373 2440732.201 4237632.777 20837605.87 12611154.36 3914023.887 7825427.405 4045738.138 2216416.462 3441063.307 10894549.17 5602617.339 305818.9267 3798602.281 3369796.356 3764344.937 1200209.81 38591426.32 828747.0502 8584115.159 2129430.232 2921613.926 865978.0156 1482770.384 22644183.5 3703594.503 1178509.478 13130157.43 14719876.72 4665699 1762843.733 2581596.086 3279544.108 3311567.975 2042099.324 14364170.16 11955616.16 9566704.52 4700236.998 2827512.37 20086550.78 11470314.19 1354042.019 18830624.46 1241262.975 1209076.524 2331194.42 2960128.12 2751309.9 4031452.289 3433301.073 1488073.691 2678541.144 6291977.03 10560304.54 3031351.888 3101189.919 111128.0131 1402740.196 5718838.127 20647432.84 4196782.326 1726609.086 2109850.639 2401536.81 4152836.428 752394.4309 2919057.469 4152024.948 2188537.285 101864.2509 105330.3227 74679.18375 124708.3894 203551.014 2-hydroxycaproicacid 231692.9684 14990548.19 10868668.43 10554616.48 17728333.77 34107361.21 11317211.8 29944838.07 9097596.458 11348960.49 13328869.21 22511646.51 20297226.78 13906218.94 20792252.97 16469982.42 16255139.15 15647479.46 16176900.15 20952871.94 18274812.75 12537705.55 13604271.82 16786603.54 15235859.45 3700153.198 12376774.53 39513395.85 22181243.39 22426010.26 19521565.78 13115602.18 14313865.45 18775032.27 21992934.89 22375451.02 30735883.42 23446446.68 23305536.31 18923932.83 16098724.7 15448848.56 17736461.86 20508471.41 16850945.52 32124234.78 15440407.18 30859522.06 7251776.638 10531216.07 18890673.35 91112561.23 24089889.33 8629606.696 10817656.49 19394349.84 31022377 68537203.71 14586652.86 25307790.36 14985035.52 23501342.68 15050429.88 14538162 11028733.85 23166795.97 16798585.5 21636310.34 13526596.46 24946400.98 16394779.78 11530353.32 12975985.93 17919146.06 14623883.97 45377632.18 24865467.83 13027892.56 23717582.2 16094734.12 8255237.842 14987570.03 18161777.16 28211255.83 28366279.56 12824021.02 25642598.32 58201042.09 23737231.52 52583573.38 85198710.51 25059827.11 13137831.53 12258339.83 12160772.06 905412.3794 518253.527 11302513.54 12582380.33 14737495.73 17067490.78 19482625.3 19547680.06 17150804.63 16275204.21 29733532.96 19888087.38 12178891.11 17878960.31 20524284.29 29413257.24 21497861.71 25524849.91 17836824.55 14510162.79 15001012.35 12848544.21 55133684.9 11351525.92 28732252.81 10112356.68 20867178.49 28447690.36 19994316.72 24600583.98 21406052.14 10691583.41 17430285.04 18453738.16 12811182.73 15528806.9 16103699.07 14714705.17 6089823.706 20713792.27 50149893.77 31880475 43254909.25 22908752.47 17928267.72 16007925.55 25584358.39 20335149.68 13692754.39 17304928.82 14829654.75 82526860.69 26561673.83 22089604.98 14786712.77 14519463.61 36101183.54 47394446.33 17514440.06 11875135.42 17808196.16 25616693.89 45810430.87 210664.7902 21057312.8 19026862.26 17754268.83 10498395.39 26376064.69 18485360.31 12237652.19 18525625.31 35127405.54 19433200.88 20395411.88 21734496.43 720927.9319 1086095.51 2303968.596 1253387.176 1000861.062 2-Hydroxyethyl laurate 57499.3377 1072993.144 1078413.86 1487983.346 2601968.748 4351952.627 1965693.96 3215757.338 1686455.984 3072809.843 719608.3142 3074805.652 3869085.482 472149.7055 4157895.278 1196320.215 1470656.656 1222487.535 2227493.445 1656970.875 1657052.705 1456907.334 3849922.799 3535223.966 4064871.721 1145062.971 824339.743 3379135.929 2944345.026 2046718.881 753831.7653 1178238.486 1346232.258 2174790.109 1149544.24 1399794.939 1816061.764 2746238.548 3000630.103 2179587.172 1747414.176 1043678.093 4479216.101 1643265.69 1112063.528 2027458.073 1851762.596 1914340.601 1365043.552 1383224.463 1417566.084 1648975.924 3465837.298 1416892.924 1742676.557 2984642.597 2332005.59 4613128.713 1209588.682 1263830.226 2052634.838 6550015.332 1664383.183 4390296.731 1565001.595 1774093.53 2167227.645 1930608.34 1426398.355 1469064.03 2076926.253 1665965.158 1369687.375 1786887.445 2266674.204 807141.4244 2859589.804 1091931.009 2218899.515 3298763.174 2770910.464 4579182.696 1212531.982 1641019.257 824606.9064 4191169.346 4328665.163 3080171.026 2915588.977 873627.5536 6388215.147 1748398.987 2387902.621 1508740.367 1558548.19 84283.12286 87923.06377 1291535.662 933937.4305 1760003.648 3039011.638 3337375.124 1754297.402 952238.5257 2271654.513 1254416.095 1598603.64 1268963.023 7718681.221 3844473.363 2897762.659 1611530.636 2160144.84 4648028.229 2131284.174 1568892.463 1630021.634 4423902.107 4532543.457 4706555.709 1708916.931 4855152.79 4742253.726 2361144.454 2037998.152 3457500.364 3124034.979 4599643.066 2813539.095 2911639.123 2542574.003 2930204.497 1877446.415 2212501.957 1088134.866 1181462.966 1026689.334 2512245.039 3017145.844 1938122.848 6588791.605 1407866.667 2944293.919 4033658.862 2218572.192 1672088.042 3604395.318 2586642.626 3297845.781 1763734.38 1473177.911 2118887.135 4806666.495 1127185.044 2707077.223 1181221.131 3172784.555 3598051.525 58863.23517 5152944.378 3520649.084 3312020.527 2397456.491 2813451.952 1451955.524 4444129.832 6462840.838 4948874.476 1289380.145 1681115.115 1590538.435 121613.0413 129986.6951 142544.9026 170270.5801 268712.5852 2-Methylenebornane 85803.8864 8205709.908 9481903.693 9194327.936 11354476.11 18627868.52 14955798.79 14114374.31 13486094.02 24242232.12 8629841.912 20835762.54 14514963.26 5672696.692 22027736.58 10685888.89 6215760.819 4705824.371 13768284.29 14490244.53 18005291.43 13397482.41 11051857.2 22561707.51 12637072.95 10362720.5 9034408.695 17808360 21583422.27 16225719 6131630.208 12700019.73 9752968.588 11217085.48 10843847.09 13377824.59 12502269.65 14239384.57 22981918.17 20215646.48 13856661.6 14228802.42 19520824.68 17730270.71 10391375.41 10076302.81 12677749.77 11745180.49 9654865.433 8599089.524 16096171.75 9135824.057 17190164.96 8781696.98 14064964.32 13358916.74 11156727.28 23815505.8 12776371.5 10554899.27 17729741.59 27216252.26 11231252.56 23182026.99 14245744.75 18214761.07 19272417.85 14509366.58 13440796.86 10451304.23 18949404.71 10565399.27 10490827.13 12647912.8 12907894.72 10296988.32 17233379.38 7603569.534 13362019.51 18490243.11 16226119.58 18658562.26 14575923.94 4105945.607 7150418.485 20253556.96 18414228.11 19573276.45 21936465.98 8250542.314 28802371.36 10063204.22 15955885.02 11653416.42 9934104.581 121791.2953 674290.659 11448418.82 10273811.61 11110084.19 26805655.76 23831791.28 23365038.32 11454292.75 11075701.47 16157087.03 12689012.93 10174651.46 20926661.94 24910332.09 20118961.98 15015299.21 16039746.21 24635003.75 13573812.66 14738663.31 11491873.26 13170823.93 24659144.2 25191698.09 13609978.99 16765609.71 23901801.67 15187226.79 8639602.048 14924481.22 14736425.4 26818838.99 13015985.42 15657797.34 17784471.12 16027832.55 12705717.95 11458123.46 14540074.88 7152086.979 10763951.44 20312492.3 23547950.41 20222032.94 33111631.75 15578207.93 19504230.05 18750793.49 10029401.93 10006118.65 10778237.4 17051991.78 17035637.77 11707012.44 12044236.22 18234993.56 28238368.19 15129888.49 14710987.59 14667579.73 17977806.98 20378556.66 74784.7539 21299792.12 24866880.91 20307806.09 20145452.18 18763662.32 14759617.59 23563324.81 30047152.29 24417927.2 14161061.49 11296444.97 11580197.87 182405.1469 412797.5737 107412.8019 252891.4121 136626.8181 2-Methylserine 122092.628 171648597.4 163010981.1 152162118 97085331.98 151161125.4 149225506.6 176777119.6 160996625.2 157831575.1 329646679.8 135369399.7 209733851.6 156357960.3 202399029 207668636.9 264274947.8 240861622.1 116860532.3 298933878 275155360 201834634.8 196515302.7 172356600.7 191707412.2 163955108.6 156901672.4 140303835.9 170645037.1 169665090.4 390432747.2 213392484.7 259103602.3 271972833.5 333515961.5 218676573.8 285055698.6 123176236.1 194907621.2 241085816.2 197263103.1 131751188.1 187155554.1 159399168.1 192385817.5 168393968.8 242381137.1 240907627.7 162048605.2 159644407.4 285323572.2 139237936 140099888.4 228122093.3 207657358.3 236097805.5 200053340.1 155381193.5 163201589.8 246568704.4 256102223.4 322375954.3 293772113.6 125089167.6 136445350.4 146918142.6 218281903.3 319405385.8 207965055.5 176247829.2 193753230.5 181853353.4 193421998.7 169200534.6 227281816.9 263130818.1 240200912.2 213451060.5 179367044.1 120510033.1 125520150.3 182126338.9 225333367.9 253767514.5 267909770.5 174459741.5 173608048.4 292896979.6 256361181.4 139184338.1 333420948.4 202859377.7 203198812.8 191129502.8 164785995 3339153.408 148291.571 166523969.5 163490495.3 207021947.2 213067318.7 208822701.4 375270410.3 227007802.2 286305859.9 146773725.7 217784705 173436196 181271258.9 283476706.7 143574215.3 231212816.7 195641723.3 134105782 297545859.4 197629315.6 170366203.6 114923815.6 143683751.6 171845861.5 217917611 179196820.4 205866266 147588346.5 301574232.6 185948957 282555337 328418898.4 196342483.4 225889405.8 207246448.9 123169430 193258231.1 182750072.9 212263151.3 338226078 311176211.9 285237374.5 236060095.2 139763799.7 446365850.7 296306582.1 237566927.2 229415826.6 339173890.4 187459410.5 186597864.3 147109591.6 202339336.8 195399801.1 199446297.9 342670209.6 184932457 311546159.8 263119412.7 281833673.5 200395366.5 275477539 192990.719 385206095 322566387.3 287262837.8 375220813 230097060.4 246459677.7 140198749.4 273188748.3 191155901.5 214041484.3 207894818.8 279354690.2 231810.1743 121762.7078 535709.1138 101016.4267 84815.09126 2-Oxoglutaramate 85256.38194 1919855.481 1426213.544 1556448.327 1217915.273 219792.7314 968470.5348 2315884.141 751198.0273 1539173.616 1424516.355 984230.608 1298524.238 1982722.764 1803788.794 1087279.212 2543465.005 1875979.289 293290.3314 1655514.588 1284708.412 1193786.257 1286391.529 968431.8303 1506470.458 2304088.133 2226560.468 1286347.165 512901.9696 1205380.015 1944347.837 1703685.182 1366055.619 1492271.32 1829041.514 887304.9837 994427.9275 942952.6672 625741.4553 1056149.562 3407299.636 683861.2372 1564405.545 927867.4215 1231763.179 1135700.274 1391977.038 860332.6226 2100474.743 2082593.63 1164862.04 1562331.68 653938.0961 1243022.186 810976.4975 2117431.118 1963255.847 1690002.977 1165152.308 1428302.006 1868878.985 3939461.858 965350.151 2427011.846 1006877.516 1379565.293 796431.4259 1744718.367 924688.7841 791140.7061 986631.8533 1270698.539 1366359.837 624571.4318 1176385.344 1197095.789 3273764.663 879058.0376 1329393.253 215983.0856 2820532.121 746857.2178 799243.5577 1981668.123 1312530.755 894016.5655 288210.5787 1308752.514 1127124.048 2695843.08 1969255.855 3899606.938 1239585.459 2140857.924 1838544.475 68030.28381 69734.93581 1612109.175 1915741.404 824497.793 1232765.794 1708217.134 1675380.377 1269709.457 1165967.1 1222012.474 1027021.562 829436.9074 218948.1738 1596629.272 954693.4029 1253412.134 1425355.791 1250714.353 771618.7154 3920918.825 3640761.652 618448.5528 964334.888 1233866.254 1155064.111 1233579.254 1955526 1545617.585 1090091.51 835948.6884 973587.1358 1510999.708 2763011.465 1156214.878 1203223.937 442503.6369 2221624.02 1920286.518 921340.7522 3234817.509 255947.0201 1199167.332 2447477.237 1028729.676 825921.0594 2243991.877 929087.0279 911028.3256 1221643.886 538975.4541 1290434.362 1046701.465 172102.7843 3505595.126 2578901.534 1200013.653 904521.7107 1056017.139 1242187.938 1318011.16 1180311.355 1358635.593 97111.46624 991444.0966 1013118.899 890670.9003 825595.5256 2368825.06 800017.9671 897945.9397 899871.4557 801036.8557 1618693.599 3157068.929 890168.064 133461.2145 81635.52138 68418.18033 96872.0532 86823.06907 2-Oxovalericacid 5590583.22 197603489.5 177786817.6 170586961.2 259824275.2 334903543.3 211412285.5 275503759.1 256924966.1 206554359.8 207981111.8 347056041 286633463.3 220766058.2 295290473.2 316874945.4 180007010.5 208705233.5 228881093.3 245422059 237237122.3 252780915.5 269486396.8 358909268.8 297613568.1 185253282.8 174228976.5 221466172.5 231881459.7 329512704.6 304146645.7 256200853.7 245729700 266045802.1 280948435.5 238299450.6 234752510.4 346380564.5 285517757.2 238381657.1 297568946.5 182983000.4 273658818 240360046.4 272186192.6 380645807.6 266105146.7 320958495.5 179073925.9 173139053.4 271359886.5 252340074.9 492416040.9 265277109.7 275927227.2 233858146.8 314665169.3 542519669.9 291323533 296911286.5 303114697.7 362266413.5 231161680.5 314207969 216086195.3 278296692.1 297479121.5 279227755 276935606.4 385341454 253068575.2 195551432.6 203660266.6 350487581.5 259378058 250246756.2 291094120.9 264347803.6 371602756.8 246280160.6 234985957.6 263854542.1 292774723.5 302185803.8 285888231.6 256503546.8 369730613.5 291101331.7 274922128 211378428.5 281322751 273954778.1 223010840.9 215103902.7 219294870.3 1817480.272 3964657.597 175856053.5 181691748.3 249297381.9 279821264.2 336392762.7 230154609.2 275401083 289010977.2 249857895.1 276204394.4 253893818.9 406136508.3 259404827.9 312468721.6 264524417 266936901.9 220764695.6 221391824.6 239926212.3 219568932.5 438987215.9 371656771.6 313676368 222948302.1 292219977.9 289431537.7 236951926.6 380807534.9 296401047.5 280866202 263188771.8 287347127.1 293903897.3 256121648.4 296090867.2 267410892 223992562.8 368955340 255565012.3 433043658.2 372583099.8 358664155.9 325297791.6 379186317.2 257141077.8 357450360.6 357201156.2 292596106.1 265670996.9 403787644.5 403752893.4 447922744.4 268981146.7 265881602.9 545996459.7 507967189.6 280304897.7 337493263.5 352285877.3 364038592.3 398374886.3 1087511.986 342640444.9 251812422.8 307666158.4 349523292.2 354804989.5 333724500.5 263897527.3 338001415.7 405540306.1 274189058.2 264350914.7 302240001.6 1360088.928 1443605.697 3542413.413 2075919.28 2170234.937 2,2'-Methylenebis(6-tert-butyl-4-methylphenol) 479044.4328 722061541.9 1136032.527 899147.2999 984700.0355 643733.2358 522763.3057 1770907.963 523919.2935 665655.6479 2370090.691 392481.1739 1257170.712 1238188.189 3469909.914 405865.3424 499826.6206 344342.995 426058.8887 1419068.398 3361011.665 2889807.379 903345.8424 1508810.696 4302752.076 826915.6492 834715.2703 468152.9712 778500.4782 697596.0399 2544223.036 655511.8675 1064780.741 924084.6075 477540.6717 5491891.713 793057.977 550081.9816 1349723.621 525266.5814 571248.1566 460748.098 396146.6023 465341.2107 900019.0839 965177.3541 1198492.533 759179.1167 949207.0199 1122972.468 592684.6752 1041654.043 659632.4157 1614108.43 1417191.758 1852543.278 8820364.424 476562.6558 844607.4282 940025.8276 661453.51 595859.8865 549510.9198 477393.5951 464807.4192 782445.2207 1634899.128 529366.6608 1285162.143 873980.5471 477776.2314 1034446.045 1121066.739 660545.6831 369540.6472 767177.5995 2271630.469 395515.1053 455487.1467 1478587.316 2242655.9 603179.9989 535468.3821 809924.6455 445881.8925 3024077.571 575672.589 810333.7575 768052.7436 870646.9561 2127071.57 557915.7479 549236.4136 1117823.856 1194909.117 886405.8069 304597.5286 1020804.6 961030.3395 4129863.045 6569612.99 2900524.437 2750443.034 1130282.686 1975384.591 1670019.157 3899765.56 516354.833 996331.7603 12449382.34 600139.2395 4457212.727 4401118.22 1127491.073 445778.3765 797321.1861 968954.348 782064.228 9880965.532 1727119.823 829683.4871 10507971.18 400464.6318 810977.707 668299.2342 1116372.118 1000540.417 1098262.93 2147601.43 2303153.588 1135454.06 835989.0231 1024281.204 963864.9095 346338.8956 2471727.893 1368192.549 813217.8153 1379785.082 1861317.102 1177130.31 708806.6003 3084664.521 1133090.582 723229.9917 1217746.967 1720255.874 2107857.85 2406588.073 1053898.28 1080955.038 2562176.785 1194792.43 1575415.666 882039.0142 1406789.758 710226.7464 603956.6709 68794.70574 2000379.271 368315.0006 2188496.25 4520349.276 4649992.236 2257864.322 1225577.302 1058843.052 1797916.628 1038888.507 1134277.593 1158985631 352565.3966 747890.0183 751999.7827 836261.7684 373846.5624 2,4-diaminopentanoic acid 72058.83102 20812703.17 12843112.6 16205274.65 15829885.17 12663220.67 17623650.89 31060736.5 20604303.06 29681173.37 40934686.37 12486112.13 14845696.27 21217953.72 27943855.74 23221427.24 17311734.64 21467226.73 14645224.02 28728743.36 33171075.84 22617023.23 24305117.6 24507303.67 29262742.96 13831842.33 19323612.94 12129192.25 17090385.92 19846456.85 33211179.71 35967020.59 32721307.61 29852440.94 26973283.7 9950625.05 15596144.77 18643823.95 15955436.66 16499905.36 24972824.35 14964267.04 11072116.06 15173312.17 17424587.46 11421675.91 20594183.59 19893265.08 6153297.564 10535168.7 21174493.42 32294578.47 12363405.95 33405102.32 16606616.59 27673904.19 24472790.93 8065617.321 20912016.8 16830272.55 22243388.82 11339119.32 19846796.87 9158184.108 12413929.22 13104979.04 12035088.24 11551387.53 11443594 14210847.7 12553710.56 4582132.071 6895003.486 7156724.04 11266422.38 13340752.64 5870372.559 10298585.41 368494.9503 9482051.345 8295845.81 9156196.709 6365857.482 7323509.984 4748772.704 4998354.769 16039054.73 5838901.227 8506742.468 4541945.375 4555118.124 9348666.918 3747442.933 1360283.876 4175811.023 849284.3045 41349.68869 157275.1439 161482.308 5911080.284 3314388.362 4069099.277 6125700.318 3708372.541 3630145.224 2681840.611 6740395.939 3569271.864 2764206.862 3086991.709 2815135.108 3145197.79 2578376.072 2713396.775 2871540.742 175069.9724 181305.6268 2785776.035 3564594.021 1740179.023 3265963.576 1196797.862 277444.807 1940095.729 2275438.807 2651369.973 2709370.162 2288111.581 2313101.452 2754004.266 1744757.03 999501.4634 172896.6924 591453.5928 2441778.354 4923636.977 2066047.26 2585586.701 1377128.798 284877.315 2181005.248 1954317.037 3850056.13 280329.2824 2110756.814 1955226.473 3639514.211 422992.2599 1381227.6 336194.5112 475342.6141 1762029.139 1019700.233 1034070.418 1814391.746 1508274.082 182443.6522 716315.4445 67190.19743 1251566.011 1288618.223 1300403.404 1099049.006 115812.1409 1173938.843 801423.4568 433720.3271 247206.0185 293701.0688 197415.0986 129455.086 61662.97837 50621.41187 114215.4393 49232.63443 68562.86024 2,4-Dimethyl-2E,4E-heptadien-1-ol 180115.1607 7422975.571 13001109.46 12232801.05 3941386.976 7967176.117 10350678.52 20260829.65 8745420.205 3196855.868 5532274.332 6207393.446 3478298.621 4344880.583 4818054.715 6642905.921 7636258.006 6286833.416 4102480.542 5611562.066 4061806.952 7931424.241 4440958.038 9017391.809 6061161.607 12354779.78 13800376.19 5343105.044 12957011.18 4933759.785 10476074.16 3006768.347 6076645.693 5312419.646 6708247.442 6387940.306 4208287.201 8190322.302 6913600.349 7409011.687 7194649.104 8628563.971 9033893.243 6068859.677 4832721.989 5572829.166 5685429.116 7657898.335 11965850.27 13083066.94 8310872.176 6331867.875 5608249.006 5752007.66 7646483.591 8916290.875 15847161.83 8620181.587 12688751.36 2670174.529 5938034.754 6912372.228 6693815.047 5180503.905 6428870.553 8720949.89 5147913.334 8989706.529 3412232.75 12743033.96 7086630.454 11695515.29 13999429.51 7013589.946 6935135.674 6971283.024 5455532.043 8968522.603 12929052.69 9773314.286 13581924.97 5099714.852 11137088.99 3284364.755 13205581.31 8069709.777 4070151.959 4991631.8 19458059.21 19023908.2 10830812.91 4362209.467 4875181.791 14422351.11 12918952.62 101005.3434 138577.6387 13858901.6 13333254.44 7617002.86 11445081.43 9030759.611 25791530.58 3733930.009 9599488.064 9207403.304 6136105.843 4732158.468 10952089.95 10097590.02 4577373.643 11882525.36 6625449.355 6042258.19 15714942.74 17051850.22 14860403.96 26262672.06 9362323.094 8444984.086 9322849.26 4500371.463 8442671.197 4394126.539 7039412.4 5863480.692 12289899.69 6531669.814 7054253.452 7630045.078 4134723.612 8050691.748 16170434.59 16282657.43 9540959.217 14355664.61 8414748.464 6283986.768 6470679.585 10115331.19 6029921.814 4627354.473 9198513.052 14521576.4 11677437.97 4483332.069 4055806.873 9055968.692 6937499.041 15642976.13 17023411.39 7863765.636 9233432.538 5752236.413 12278411.61 8048945.79 6343423.909 20644463.88 124170.2938 5953249.321 13515980.24 13173171.98 5106870.789 9371977.641 8422256.356 7208040.865 8012022.988 11126101.6 18961426.42 17858540.89 12681525.96 156791.3623 169379.5091 223011.1408 242683.8195 1012220.993 2,4'-Dihydroxyacetophenone 664665.1006 2008718.003 3548789.113 5542117.995 1170368.303 8037992.032 4164677.691 1836890.549 16727170.73 6036991.653 19282208.31 3009717.789 882146.4601 8261638.153 3023079.547 6156908.294 438767.9123 8041977.596 21019530.42 1905844.819 1602896.204 2306873.178 823593.6695 159311.7748 1741646.183 5280267.484 5055003.751 5941977.479 1714639.556 714372.6459 961953.1234 303493.9637 1354183.29 8902536.5 273999.1681 1371974.866 712511.2289 862936.9198 563947.6648 481619.0401 678688.7175 20312875.49 34174576.57 12486816.37 209443540.6 415864.209 1916527.678 5307622.564 5341381.327 5055046.393 787331.1769 6023405.679 33866443.84 4461092.066 883043.6192 6283729 1077987.501 962841.6626 4452045.247 4110859.642 2049759.248 662361.7193 4633118.502 444390.3346 6078618.543 120317467.7 9441271.631 23656171.36 21074997.03 10489276.19 1073009.054 5203533.952 7256760.817 4726286.063 3989955.514 9453542.576 60690833.82 153926548.7 66431851.7 11274441.61 17644502.29 4510373.628 6037326.15 1481963.812 7337036.064 1166305.386 4040408.788 435991.2321 1277647.354 1372216.647 5067533.344 13888835.02 3097100.442 4552443.076 5850066.351 738506.8808 357143.7847 3940626.746 6284097.241 7143311.908 460053.7451 6755585.973 766001.6968 3133469.744 44479966.49 12493412.91 160308193.9 6181998.296 59502793.83 8977624.769 380152.782 11081604.93 25152784.95 19423138.66 6733265.759 6210711.894 6384748.102 16591646.24 739398.4663 17605175.39 13046524.44 12011338.8 65424710.82 6734853.261 379637.4201 6254629.322 1904747.43 9839633.622 5049021.152 5409009.969 28725495.47 21076863.42 5692962.64 6153079.008 962697.8966 802443.1044 1291932.7 3068535.375 795237.1543 1053556.783 13147127.12 1464687.92 10730202.81 934212.0281 1024579.374 866391.7552 1775241.702 5744662.67 31428775.24 3978167.395 6759693.121 1303504.261 693520.4892 22899651.96 255786.4744 4644053.16 5338837.68 969940.1931 79512.20203 16366839.08 11037402.86 4452349.824 13980581.84 17009063.22 26269256.58 23499703.56 1293362.333 1514578.542 6198417.368 7383333.306 3019225.165 272119.4964 845524.6534 1250141.33 5880858.369 844050.3089 2,5-dihydroxy-3-methanesulfinylbenzyl alcohol 88312.30019 6407072.491 8409820.081 13709308.05 887162.716 471976.5099 319997.1054 2934713.522 562895.3825 2909844.959 1531687.463 432716.0717 1001627.457 298429.653 3669842.971 22880080.53 2603013.084 6999260.23 2897245.579 510730.697 643189.9116 3398969.421 2676846.84 5848875.943 5232254.117 10171280.32 17709281.8 205481.2806 415456.9032 1333812.592 2388808.337 1076464.805 2795251.689 6480988.126 386938.3397 512892.6466 2933980.913 442065.9892 9881151.438 1188459.268 1516193.269 920079.4953 353321.0133 1155980.487 2311326.802 833937.391 512407.4453 1302771.72 9138547.344 14578555.53 1707700.944 5034193.821 561101.5802 13558335.27 1258904.756 126336457.6 58470773.56 914866.1938 13612297.09 2962445.214 1207802.983 621313.4171 4595520.434 184461.4807 883980.4131 985718.2485 279027.405 856567.855 969522.0425 3563901.417 42828373.69 8747560.492 16815057.19 872741.1321 94310212.21 1503829.226 984955.507 1704671.77 1492781.259 286859.4383 7483951.15 17191795.91 1090960.21 433453.9906 3730378.809 3246508.526 3407534.973 156198.2506 2747450.289 711624.0428 215161.2465 50482225.67 131900.3336 11320015.09 14950210.68 102821.5627 132318.7983 10054793.89 17180377.05 23939280.01 385045.1829 18866997.44 705975.2644 8563193.136 33000978.21 411962.3893 1094958.255 48069863.57 365908.4212 1868289.723 456728.7145 820671.7894 265836.2565 4060379.09 1091849.07 11180357.97 21663650.95 9254361.613 75515642.52 359082.7281 13262904.39 1155251.015 1585237.971 2405928.076 3846086.846 14825220.62 300403068.7 421728.1308 1405700.617 45660021.9 277430.7399 212406.3228 9936687.395 20656057.9 1841119.293 2521541.168 112886054.8 1081720.518 1379133.511 142249450.8 4673560.816 2746574.019 96567329.29 5754479.243 1391559.377 339111.0929 91508044.49 472464.1909 5285929.192 9771907.801 18727689.86 3912007.983 3616594.873 865682.7315 6005041.832 11394117.52 692900.5793 15852634.26 115406.8576 137859.2961 1346549.697 2146599.531 239097.0094 975797.4843 346535.5412 32514205.12 2301277.638 449244.6384 10818201.29 19133885.87 8745877.528 105786.4058 99733.29673 87767.54899 129510.1292 87956.238 2,5-Dimethyl-3-hexyne-2,5-diol 133374.8805 6471505.689 7183974.916 6935822.668 4607729.012 12413914.2 16146022.11 6936406.061 5503913.404 8975666.215 5065280.053 11899170.2 5969603.251 7203713.17 13403129.98 16229849.15 8056678.422 5609133.444 8768826.96 13233180.45 10528778.12 8090551.106 4751991.921 11446179.54 6375077.524 8369589.113 7571849.397 13178545.05 13421381.48 9815041.587 9158079.335 15469156.9 16523479.7 11659523.45 8155283.158 11721384.9 11349667.05 12811838.05 19281599.94 11838749.46 11861201.85 23301946.41 14011228.3 16438962.98 12640578 8363070.33 11390985.42 5998156.738 8598160.782 7975506.897 11038207.99 10632701.29 13631146.19 4504157.285 8552182.388 12593782.55 13638977.44 11596350.6 8073930.559 6495382.815 12766190.38 13987224.02 9241435.39 17920844.42 9739832.469 11399450.99 11238840.53 14592582.94 15093434.2 10730558.01 7996719.099 8852183.818 10583011.92 13745655.36 10912452.07 4738954.588 10699717.39 10265905.16 12617441.75 10614489.32 9902040.376 10578578.65 12617393.01 5647211.111 10008164.24 26648417.78 15353442.44 6737184.255 15899794.75 7889941.406 29157338.83 8121835.737 10202975.74 9163467.355 11107856.43 156764.7689 97908.08185 8250728.028 8342431.926 11067010.24 10296222.45 21967506.08 8336350.989 9953494.582 7220764.387 20623214.92 13714419.67 6180882.589 12348145.21 16154118.17 10531443.2 18370349.77 11569741.03 15982001.86 4339884.12 10386475.72 9339221.602 7983721.381 23907942.74 11327960.55 12090031.57 12364524.66 18901458.94 13370703.56 4824380.556 11057318.98 8602181.216 18291581.31 9385463.924 15093966.44 20628600.37 9926566.641 13101317.84 11870724.17 7857294.365 4900224.486 7152006.663 12586618.04 17988221.7 17500431.11 13338724.57 6433696.152 13957190.07 9753623.745 9152751.91 4844943.355 4968067.241 15762964.79 19093550.24 13821357.54 13834962.54 8467286.112 14381114.96 30001651.59 12555010.04 8723843.157 13045399.68 18202914.85 103680.0651 17600642.84 24542774.91 32904064.85 21995999.61 23223236.63 19520311.5 22418882.72 19299466.94 13753819.19 13916269.79 12854446.41 11112418.71 413065.4777 342109.9649 536129.9854 36790.6327 292834.8863 2'-amino-2'-deoxyguanosine 63039.67725 7822160.447 6369909.769 6251697.262 13912958.75 18901017.93 9081400.683 11655339.85 7677116.671 6701958.842 8196888.169 16143287.93 13727147.59 11603773.16 11255253.08 17214196.03 7544708.722 9748721.935 11475821.81 13123994.71 7704862.837 11488782.21 9055647.816 18225823.76 17795419.42 5891094.602 6569101.145 9620020.588 8383321.473 13432407.21 13283286.81 7694103.17 10580029.75 13451271.35 11835909.27 13216771.2 10979418.35 14477781.46 17282312.47 12083791.49 10047723.83 7416340.807 12175786.61 12426344.17 15664838.84 17023519.17 9766865.294 19980388.06 5916646.046 6028825.593 13365870.2 20808173.96 31582701.38 9558795.427 14814591.96 9635860.57 19706409.2 40925869.99 18126425.9 12232994.8 8205151.924 16969550.12 6000428.295 8691969.458 6675173.229 11652154.19 13228904.28 8546879.983 11995953.99 13406288.28 7964072.964 6772397.621 4649880.538 19167512.04 15076065.46 5942826.741 13992864.15 10861945.67 24285338.3 10087057.14 6858172.126 11389623.78 15743434.65 15194440.4 8048728.542 10240089.57 18114781.4 9684015.681 14602931.71 8646803.082 13042080.3 9420608.166 7392112.809 6516407.541 5773098.947 74277.62069 57695.55256 4756166.243 5612188.407 10277897.6 14474574.36 15371085.88 10384442.57 15301353.39 17732631.07 7211906.705 9984152.34 9336840.624 15869372.03 9176042.229 23374494.55 9144934.198 9816457.096 11599378.5 8020769.267 7928825.194 6641470.074 28346829.26 20287342.08 14687125.79 7480860.837 14111708.58 14547968.96 10910248 15347206.72 15254032.28 12656018.21 11848960.97 10009188.85 12883256.62 11301492.9 14095848.8 5969422.791 6005483.397 17643099.07 16797531.99 24912793.1 21158064.5 13484909.56 17199880.16 16711339.43 13729639.86 15311172.91 13852210.05 12987933.52 11118813.47 25363959.7 22785735.19 17384213.26 6523039.536 6278009.222 25218307.92 31337876.18 6026281.479 15699579.67 14362694.62 14427804.07 19003775.6 71285.27392 13484862.41 8302147.283 11500072.97 6373085.051 13005166.84 11832061.31 10276608.15 19650982.93 25512348.62 6192537.331 6001604.567 10381413.5 74633.24612 101324.8263 66244.70217 67792.8644 87814.50373 2',4'-Dihydroxydihydrochalcone 53534.45636 29624239.6 8773980.802 18740247.09 137317.1443 59837267.29 167939.069 160664.1373 129732.5131 114970.0759 122316.5739 165203.4997 204060.0087 140248.092 134730.9238 4260218.694 135515.7064 134610.5714 138399.7241 141070.5602 121609.0154 143447.5219 2340022.118 168067.7232 347810.3982 8554303.828 20519349.14 129795.9054 140602.3568 149249.0183 176993.7121 134205.6869 130021.9313 145348.2629 135698.8094 148641.3745 133234.4181 157169.53 154373.1468 137489.5369 959689292.1 134298.8342 163315.6045 143035.1636 145862.5193 199152.5103 130488.4742 177837.5006 8898515.044 18924852.05 145886.2317 277680638.8 219816.9396 123290.3068 149267.2905 136884.1708 459307.4249 267932.3336 212785.9654 170109.4505 2491897.719 182780.5582 120322.6485 154799.5725 119177.5295 142175.9615 149183.9265 164286.821 127138.5715 193422.7302 184466.5729 9874169.999 22298361.74 229671.773 169455.7381 127582.8178 154501.6857 176640.2307 192526.1336 132016.7393 124700.5502 268646.6192 196724.3172 261627.8321 4495100.567 136209.1543 169225.7063 164138.5954 27890851.85 145490.0941 157924.4017 1908783819 140244.1462 9715360.004 21758536.34 67734.66665 53750.85312 9480865.158 20970378.42 130454.9551 263214.911 166254.2342 146069.331 171792.2683 166194.4674 131957.9719 134430.7531 125931.9481 10518834.45 175562.7541 183894.3711 149989.2678 179972.2675 133176.0098 122008546.5 12653654.68 22776027.9 233156.6013 108217181.8 151681.9716 133458.8031 158651.0445 180994.9651 141112.9974 154467.5386 191733.882 16201150.9 706119.0564 223176.6383 152126.4177 165681.1124 165991.9977 10720331.33 24100240.99 182908.3683 4694966.998 189132.0273 223317.1166 152731.1333 237739.676 289432.3137 145626.0287 180509.2889 162312.8683 137333187.7 215204.9462 199937.14 193070.9103 28957572.57 11063433.75 25689766.58 267481.2752 229192.6383 188925.0439 49270021.07 152062.8987 404866.0772 195346.8697 60536.7691 185369.2763 154701.7811 211944.3947 242145.5715 156512.1226 194957.109 164393.2474 359262.1053 222921.1691 11592505.43 24846127.82 38647467.49 62717.22029 86046.91092 56256.22262 57570.95054 109362.3279 3_5-Dihydroxy-phenylglycine 74141.38712 11789270.34 11226247.2 22490536.63 11898528.8 4240301.633 11289515.32 6445682.47 35817141.4 15208928.82 64305233.32 5628696.324 5804808.602 30986116.67 4426427.304 13593424.05 31545142.53 14999466.23 9031061.545 4313589.971 14158454.28 6045301.453 9445849.623 11599958.7 32054211.19 10506288.37 24460566.9 3235320.62 2937289.852 15495023.66 6886542.406 51803610.25 51905592.22 3201102.79 7206940.656 8222126.096 2905734.574 11165852.39 7695504.416 5137772.415 4042245.423 33037384.86 22374958.28 18427186.64 7173544.696 8085415.13 30536701.86 7584972.122 10453645.08 22678276.71 3702789.316 6659809.452 3962704.92 21364638.67 87292068.48 48956239.25 45014538.35 20931316.35 8111796.765 6674904.408 5910739.265 6723882.126 7541451.335 4220823.167 8669169.975 4392010.596 8238732.695 23862983.14 13367240.08 19831792.64 7761304.578 10613875.43 25533274.6 6114372.682 109447192.4 4767806.47 6083394.074 6018752.981 6457978.928 33281254.31 5457492.965 11737085.82 7632490.778 3094131.27 6121914.276 5073049.884 17347717.87 4209178.944 2278725.684 25792154.57 3683660.088 2877547.11 7414795.225 12415068.29 22343655.98 105312.091 136861.544 10747511.34 23395129.13 5824624.106 5395947.421 7857601.515 34116643.78 25881951.13 9833919.132 3417420.568 16884869.2 24825559.36 22920455.45 5149284.902 6251792.778 11237427.73 4335487.053 51691306.09 12814069.33 15597414.72 28355909.25 6487289.53 85336306.84 5377673.134 7844662.561 5746748.069 11355037.8 10187303.98 12125002.5 11008407.16 8880038.928 2222575.501 10372963.2 54236063.69 5433320.999 4946693.195 13954848.68 27955507.16 8735723.649 10609736.14 7734888.792 6818723.134 4448655.464 8120756.383 4583869.603 7867281.326 28816330.74 70490130.45 7978546.539 48104138.56 11599211.22 321027744.4 8605166.387 13620480.12 30563353.63 31161233.71 8513369.657 3279686.904 50301887.7 9602053.212 5376612.501 30192048.26 77709.5615 5315744.334 7406613.548 6342955.942 6165617.54 24045534.24 5593157.97 28623661.3 4297121.135 12790519.97 13767496.97 32025915.88 13846319.74 160550.063 167281.9753 92158.50969 167365.1457 120454.824 3-(4-Methoxyphenyl)propyl hydrogen sulfate1 81446.24336 45607633.61 54743789.03 61382565.63 39343379.55 148370030.6 25792550.96 44198998.34 20251048.24 27911752.76 76096214.65 29435917.53 64822539.18 6197221.463 68224440.48 82708196.63 41440667.91 21134453.19 5098270.826 9993393.818 14683645.55 84899778.88 319154.8619 13042348.47 13544762.56 61529663.01 63587810.45 144954230.2 31315080.22 47112709.87 213345323.7 23549158.9 81102409.86 84849254.66 11661952.15 37877955.14 79803413.31 636368.2568 89442582.53 63765170.88 48400035.48 202294675.6 18336240.34 119746701.3 273931841.4 176520555.8 50212262.17 60895904.22 57005630.69 60192630.89 80125936.91 73281415.11 15163252.04 29116866.86 10074429.02 192926252.8 62447304.94 85032980.41 109984900.9 68232504.08 59216778.83 22753759.72 46684426.94 11063712.47 72283057.96 26972659.43 24613210.48 6273556.373 12754307.19 27344119.57 21747502.59 60030798.46 79505075.51 6885500.545 14198148 110057549.7 32448221.76 28899389.18 34817269.54 1106314.78 9509113.421 146191443.7 20696567.06 70616821.89 112671584.1 2809481.419 2308106.095 116174798.1 46455400.57 12662049.75 2800309.958 88948242.78 138606544.8 70457862.86 62683753.96 113916.1632 146596.1947 60013106.32 70669765.41 6563393.586 15722889.77 12409858.4 93159810.28 36921873.94 147860677.2 43807768.11 57220270.24 217422287.5 39290965.5 67950978.48 7383157.816 35328994.3 1475837.526 41245835.34 10401094.6 76476351.52 84493211.85 61014295.06 3710367.372 1632879.845 112260078.1 22487717.7 99432865.08 110775192.4 43554329.28 60721100.09 24711334.69 58294030.79 40095257.74 2894576.449 104933961.6 16930576.48 67500558.14 82480904.55 57988420.47 12694827.38 56431478.22 21499681.68 13082139.07 111742949.1 45139465.9 61523512.42 10037954.84 351418277.2 38546015.17 11634824.36 9429156.952 24109617.1 25594054.44 67529871.37 89877630.33 95168196.56 42626178.28 29418601.66 9138518.521 83307969.54 138268585.5 51454219.23 118625.3354 23476202.01 50206799.97 6384492.521 341874019.8 89770278.83 157094063.4 97003126.07 35701228.92 82608907.98 72528310.58 92202073.65 57144314.75 99963.21722 131058.4347 133548.1208 143484.466 92371.00913 3-(4-Methoxyphenyl)propyl hydrogen sulfate2 908961.6325 3021315.643 3364999.058 3079669.932 1456109.967 9396251.25 1475255.496 2308133.308 1154122.213 2075322.08 5402562.418 1766787.766 6075523.095 1702845.475 3402729.863 6679583.604 3672891.442 1977952.005 1055382.957 1217730.976 985025.7427 7030932.332 971045.7833 1269310.962 1085517.672 6225025.215 4063232.398 12522550.01 2178621.768 2004181.368 20128096.56 1529724.674 5386827.948 6468475.2 1080516.553 743937.2929 4392011.96 1305618.595 6284725.276 5558345.852 1697692.884 10281539.54 1438787.157 11354542.79 15804816.27 11230354.2 3076887.057 1500264.787 3327507.403 3385139.982 5005446.407 8008866.157 1434516.928 1658092.227 1016650.014 11053117.84 2288049.568 5953197.477 8234043.31 5332209.682 5208940.189 1587760.419 1593991.749 1382241.949 5742053.93 1484648.681 1813593.779 1207382.594 767059.2621 1696075.696 1352873.535 3131241.858 8719403.563 1329741.766 1243335.66 3615380.236 4913673.9 992226.9285 2084085.753 1108415.182 1400953.524 9312191.12 1149982.51 2586513.715 8270774.169 2809481.419 986132.5604 7302958.126 1457339.712 898517.9764 1349769.513 3105610.246 7784512.236 8878329.463 7599439.212 1681908.429 1216031.806 6886605.748 8963944.998 6563393.586 761396.1993 955651.2911 5593146.197 2112364.754 13087809.2 2096614.289 4712426.453 11201480.47 1982620.495 5074443.83 7383157.816 750222.8379 1475837.526 1281421.202 1474374.954 18604822.55 10363102.72 7916478.204 1036649.526 2648740.785 5603553.962 929109.3214 6945480.764 10185082.19 984731.6162 2734790.561 1812861.743 10316417.74 1732471.24 2894576.449 7884452.144 1586245.232 11086150.09 11626957.72 1675621.578 562730.0807 1175050.744 1895639.411 1018789.702 6260999.138 2156845.34 5021578.05 1048394.76 17391436.13 1372290.896 2415562.519 830464.6264 1681343.639 3333336.919 10810263.11 13868398.39 4455984.646 1445988.25 2057995.645 1673622.669 4284147.756 9945453.972 1865749.368 130534.3383 1381695.01 1207756.962 831237.1769 12032926.71 6124355.351 10107181.18 10239044.22 2071454.782 4663333.251 8957387.451 13116912.21 1086610.291 1290377.265 1454594.503 1426880.062 1586762.752 1476305.473 3-Chlorotyrosine 82029.10511 3264516.172 3759936.279 5916803.146 6674754.593 1727207.001 687976.6388 9817028.82 3275375.513 1644990.947 12382968.72 1691631.314 2655445.549 652109.2495 5041851.961 3242997.04 5833796.661 8063325.068 2965761.323 2066692.91 6724605.288 3380901.65 6588739.458 1598327.557 9763830.893 3137642.785 7364984.169 250070.9262 2617369.595 4619159.58 4242946.649 809040.372 5981460.935 2814209.325 6253887.318 118686.5863 1779188.393 9422696.102 1298622.613 3421416.574 560191.036 339158.7926 433452.9753 1331700.79 161980.1252 33281192.6 2112347.691 950673.4073 3719943.391 6344535.496 369456.5502 3122154.367 225084.7792 11632142.3 2166662.852 1585746.553 3189263.018 791511.264 6841609.026 617324.1452 3981078.525 378093.8233 6346139.143 199049.1555 7958909.066 2894697.287 200428.5034 15386746.17 806991.8683 807660.9775 1500888.231 3174403.898 8509400.302 2280524.032 4762874.637 2370848.161 873645.5118 1370655.894 254155.2501 457031.8547 1519508.074 1409637.685 415661.6152 3551552.223 323290.2088 1907906.098 1771414.853 509038.7729 785046.1761 160138.2992 1182052.842 1059689.062 132497.46 3008101.112 5741008.846 86071.28411 66320.47968 3335788.524 6239693.047 3473513.369 114016.9269 127426.6217 1252077.074 1933669.704 3344940.346 254393.4222 2682979.449 6482817.678 684368.8362 5655364.639 2393172.09 16064706.42 1221633.914 764870.4523 15602670.4 3770812.352 6483011.302 2977254.471 4420586.435 1587167.542 848638.7878 313857.793 2787462.184 645513.6276 3196839.237 2914961.581 715605.1023 882099.3634 8515389.737 7810179.261 6454872.441 1739523.856 3028101.473 5612414.952 293205.8151 4207006.526 3531156.418 141533.5433 2156138.689 1942601.664 581464.9777 897623.7742 985784.9091 1833230.215 255375.1421 1059873.708 2240024.589 166930.0882 840125.9942 2788053.877 1272040.923 6167688.853 522316.1991 1985594.085 21603214.15 157522.5035 131243.4831 2421006.101 94470.55308 142439.4708 4861406.015 10255488.74 123607.5034 2962315.261 140134.473 288890.3485 362087.1525 2438083.615 153298.0767 4085943.318 1785303.194 101722.1634 110510.8579 90097.03875 102552.1718 75406.02781 3-Dehydroquinate 143451.71 52199320.75 33415958.9 39741862.84 50094238.81 31017156.97 39450108.78 114159570.8 35848390.48 43014281.38 62544959.9 32117900.86 47094299.95 72053702 37688140.28 43697891.36 63001114.52 147728842.7 31293841.99 44731938.29 49493852.99 40790261.77 33958168.1 44106263.53 27757867.65 26350925.7 32912104.71 23836986.96 24955930.93 65538163.2 47385929.09 55949947.9 45958668.98 39060890.57 35254839.83 28985875.24 36403666.31 52119006.34 42138932.65 51518796.54 48339443.07 32550614.29 25719079.41 53163882.63 35026879.5 90224836.99 30525916.59 41073005.04 21826783.47 26629062.18 15437471.76 34056396.68 17772845.77 50382180.73 30253409.62 77849461.14 92983951.19 60916355.12 20395417.64 74477474.91 39677982.16 26422530.9 25048280.25 40511314.03 38979498.04 23088394.63 34882448.28 61793273.49 31508359.53 43042942.49 24291118.11 20513437.36 28652305.99 17224736.06 33744973.28 17570299.6 40293935.1 47888440.04 43223525.68 41671054.79 29757761.73 33035385.64 42344430.29 24535232.26 36340783.36 20278881.38 15508638.23 23556928.07 16163275.57 37181432.94 7309833.949 35973436.8 32128231.23 20755545.44 23589946.82 112706.0216 101150.6789 18016857.04 23429844.7 52978312.32 21170855.74 40404089.65 40033499.94 16792119.06 27893616.56 35880899.3 33679074.37 30034029.23 27808072.7 51153166.88 18946420.82 38497248.13 22843889.78 15076056.41 28017558 22006440.43 23875005.39 7208603.212 18874542.68 27539865.66 30532541.35 26337031.22 23084930.83 23901396.86 22463431.74 20239903.47 40265289.47 26752066.78 28655985.74 33349425.1 22678291.07 45676323.97 20216783.25 24940634.77 19479977.03 43716829.92 14700223.59 16570472.85 17308247.1 29306526.08 19658839.19 18776997.72 31375650.89 37113812.28 35310898.49 14070736.2 24091664.91 34949633.66 9734335.344 19391687.46 25884789.9 30711658.82 19866897.02 38117738.87 29144036.48 21113219.08 27380937.02 24503174.44 225419.8233 27915591.28 28266537.56 20000936.09 42831013.46 22004426.17 36954616.99 9579665.351 21048087.15 18310168.54 19971663.03 26419454.56 33774773.85 237147.8219 120901.7675 118774.1705 171017.9422 187213.0333 3-deoxy-D-glycero-hexo-2,5-diulosonic acid 269007.0697 10076493.65 6267367.338 3116202.682 273424.1003 419728.5556 476271.2127 838105.5321 245697.8768 404643.8212 421573.0764 153300.1473 422152.6939 119682.3512 641876.868 173589.8562 1681812.075 856113.9176 278704.0629 431843.7481 186437.8456 659610.3088 232713.114 253409.9442 178748.8363 5388738.771 2726774.906 260264.753 230622.1939 323029.2541 147571.2483 592399.1227 281217.0246 308453.3234 146171.1433 97821.30074 148870.1998 136553.9387 132291.2719 397454.6927 185155.7802 456541.4692 185329.6709 234686.3073 448457.4248 362265.1516 197593.0987 472167.9765 4264832.722 2156157.421 112337.1187 121012.1516 446593.2111 554435.8391 703624.2537 622514.6203 456062.9999 3963440.256 191771.5421 363439.2296 673734.5053 93785.42871 80922.39384 250748.2934 596966.5983 75985.34478 318704.1705 426084.5112 135136.5152 155365.1755 51645.80014 5727452.158 2808830.464 93834.46845 356848.0461 209430.4003 259239.3327 3002957.788 314823.7961 660286.2996 641718.9332 374429.7294 677086.7215 1228332.585 444997.7865 418928.5195 190920.5782 155614.5398 155038.7823 133472.1474 130437.1083 76907.05334 171241.674 7094150.647 2996790.294 378316.2195 88197.52495 5437454.867 2266820.777 580424.5349 213979.508 419747.4991 287055.7329 397443.6391 127942.3901 264173.5816 486446.538 439280.5056 721889.1045 120208.6236 90594.59232 647027.4965 518584.1855 307777.189 80144.96926 5391345.737 2413707.528 564437.0953 449799.1804 179184.0306 187863.1661 111564.4139 211395.8618 130782.6683 176012.7862 370445.8004 352151.537 144673.816 314344.6919 590235.381 121793.3131 479457.8767 7785746.134 3400952.027 272371.2156 722279.446 128393.6681 254894.4925 94995.79455 472223.7975 530436.351 342610.1304 711084.8385 468316.0368 280484.5899 290468.7949 364090.7725 730306.1514 807927.0408 8178963.481 3880310.332 243031.7983 208341.6931 107596.4738 470639.1473 124179.8897 495965.6662 63444.05027 25950.07207 74577.30058 929714.5155 137074.4102 70288.02206 531382.6829 310205.5752 615918.3786 103200.6142 75057.17331 5014866.633 2348010.51 20453842.81 96245.58028 166155.7257 243410.1991 87618.5069 46117.64797 3-Indoleacetic Acid 128304.4968 5225531.419 6818327.198 8892665.446 706646.2278 6475738.877 797497.3469 8552584.81 9713321.705 8479494.4 475668.6065 1887211.777 2619364.064 1217599.273 5326680.534 5156250.865 7227932.937 4181942.106 5037006.553 10618530.34 4034060.723 3795885.498 719080.9224 2422265.243 7143790.677 4535172.937 5993292.168 3005920.558 38738713.26 11707363.72 6725315.854 4806035.951 4850942.201 1452530.669 6570750.483 6231622.178 5295111.838 794422.0728 7370709.749 4510050.722 836836.0692 15580937.58 16287286.58 5519236.13 5590075.281 3154824.901 1301118.719 844155.2702 6027631.052 9597575.355 3651134.877 8579379.553 5031186.057 11351339.92 5367751.488 6473872.973 6879152.214 7330660.435 7384006.491 5769675.035 3141827.19 5414862.988 11529138.52 2219195.353 1294237.293 12092064.13 4724615.367 6927547.197 6863968.819 6365242.675 14451637.57 8098538.835 9822317.258 1925085.419 10228515.26 826441.4745 6446868.352 4873063.581 6566290.531 5529104.832 2601813.4 2736039.016 503594.807 1556008.581 49866531.91 7016779.986 9179232.799 2577563.974 6897533.433 7960652.7 5543794.367 5486065.399 4365007.7 8264438.225 11535084.66 113235.845 155852.8441 8204615.32 10962060.11 9134884.972 1230293.334 4410371.026 7033146.321 5961653.13 8359125.902 12447709.51 13337637.86 8055978.746 3549285.86 3845825.897 4885004.03 7478243.165 9020393.511 9303342.882 5084102.996 8282287.456 11755925.47 4554187.248 5093209.86 5523061.009 5866434.615 4677856.806 42330537.33 8370478.21 5853652.989 14657886.79 6202123.099 3810497.943 9389950.398 5618336.238 9048841.586 3796838.502 7909954.364 10742705.79 6208044.728 4133877.576 10013116.54 7600980.966 7047107.079 9825214.614 9979394.329 13704625.16 10254772.11 7511551.919 7967701.1 8456129.188 25540251.61 20835145.45 6973331.308 7608651.234 10717947.94 7451686.167 4703646.726 12162236.72 8344133.503 6936126.46 8049700.276 12966382.16 193119.0654 4571888.141 14900049.37 4384781.832 8857737.934 9097408.423 5186009.667 7911562.922 3573427.947 33402429.6 10177510.86 14198661.68 9263088.17 167940.2913 127533.4175 92433.95911 154026.9741 107351.8854 3-Indolepropionicacid 32140.5706 2941476.69 3797962.493 3197661.981 2334635.216 3410925.803 3141607.257 3443759.676 3930167.507 6217484.819 2059253.149 1015877.478 6464247.008 607188.8982 2935433.407 4631594.033 3201681.125 927503.7702 5071774.026 4196810.439 5871416.762 4379132.246 3963529.336 1873970.801 6490762.71 4406669.898 3323202.261 238868.7714 5288099.774 4562063.636 908438.6146 2915570.51 674044.6392 725267.5017 5124095.657 16292416.33 4780534.653 1092680.335 9953433.473 12531369.62 2053086.051 255250.2751 3698296.353 3336040.927 2246681.369 1845845.492 2318828.664 2345044.608 3850810.315 3418550.149 8757614.432 3030546.258 1648378.241 4902874.663 2646792.329 1306155.344 1203590.807 3289293.031 4761371.602 2169405.129 4975299.38 2001391.299 2821313.547 844526.7226 31695853.81 2086593.501 288741.159 3009918.349 1481461.225 1033622.841 4643645.15 2624690.857 3822544.917 2826536.568 2648368.327 802796.8993 3735380.545 2681008.301 6076214.194 461683.3209 8032491.127 6979915.367 1189606.472 2224351.82 5054122.308 3504145.676 2238571.352 2463592.798 4652225.842 1582630.01 3519427.859 5685960.391 1614499.815 4899936.722 3523940.278 32404.89311 26766.27466 4442049.425 3923017.489 4751629.118 4098935.102 4056306.268 3560594.056 3025262.152 32552944.51 5745773.142 23782290.26 3715124.264 6797707.342 3724555.839 6664008.31 12207640.6 2123641.814 4022628.754 2406171.902 5361218.235 2559903.018 1197013.108 11208184.43 3149453.481 5029820.509 3476911.703 18412891.28 3215063.479 5183333.968 15355044.34 4068555.757 3345357.396 10225894.02 40121153.18 13420635.32 15754539.08 5762793.652 4631959.025 7801953.143 11978823.82 11371531.06 5852418.02 18356016.27 43770144.6 7187292.575 16692842.81 9658039.253 8262890.474 5287224.03 6012765.004 10430766.8 1367411.792 7116970.663 5747149.683 5188475.318 13553655.21 3899709.119 10150564.25 5907978.522 15823778.48 8989116.349 9956730.917 40640.63986 4897027.398 7954749.545 23932977.34 6924983.141 20188748.42 3897169.705 6370596.574 5785729.607 3807674.669 5308454.159 4112581.938 7017081.107 37617.46376 29624.97561 35891.12229 29263.69761 33288.43885 3-Methylindole 41338.36263 1496110.72 1100892.747 5762419.115 2217340.6 106536.5384 2775246.218 2105384.816 10621523.72 1554551.432 1800706.417 863865.5103 349284.6344 4785439.591 3169107.423 3505994.01 1372611.54 1896036.204 2771084.782 7966749.925 344476.5481 2117676.168 2629569.383 1339922.018 3925615.9 1264316.78 1558560.146 556215.1644 23591300.21 7654083.84 868166.549 1797431.923 3411326.924 561836.176 6738070.343 3813918.492 4834184.003 4551713.071 3118707.191 4652248.988 3193536.314 12708546.93 10968882.53 3388197.722 1786108.504 2005188.409 256528.597 2884551.191 4018493.016 1749484.708 4560803.71 1286037.987 238320.0828 4073874.801 4151372.261 6431489.356 2017862.218 514682.8181 7508158.294 663836.0171 2045648.271 622365.384 7776630.484 565129.0617 6389568.197 5137295.966 3978632.716 2555864.614 6731834.99 1222321.788 12141278.02 1028486.933 5102945.186 10519802.18 6370067.855 145884.9895 2502131.484 3779764.48 1764183.121 2419614.791 2545350.883 2036353.824 3847225.361 222932.6815 21897360.33 4107918.113 4757672.899 1656862.026 6139969.693 2021104.3 4575356.699 4997354.031 5398542.332 1498906.678 1348183.281 44844.57311 41692.18487 3956953.996 1487708.119 4894923.633 297728.0705 451619.2861 3227897.723 4732619.629 5892985.129 2901877.954 8469056.288 5266094.431 456124.1712 3490257.887 2714578.489 3451209.076 6240281.327 2259923.019 2947788.754 4464235.147 5924096.999 376129.7173 935820.1053 3220597.536 5612467.487 3535900.636 28079877.4 4553122.333 4683191.945 3155532.138 5515197.75 2537372.799 5604834.385 1466341.97 7631448.698 3236611.068 5355432.456 1673838.931 5432877.79 4107906.69 7910087.231 4599850.689 4662723.781 6215087.995 1403563.422 6707046.681 7316471.433 5028965.161 6429152.661 1877653.25 14779683.53 10637708.89 5894965.429 3601550.716 7340782.954 719173.608 2203138.785 8212634.01 7205556.914 5357031.444 5376236.964 2352561.967 61383.17664 1668470.674 10176381.69 1907704.16 7425207.229 4701211.77 3300142.038 5316383.318 688522.4912 15983855.63 5845548.016 8153908.214 1732184.893 55163.52397 37494.61605 46162.22428 54149.69161 42921.83611 3-Oxododecanoicacid 528079.665 4565679.356 8050998.985 7298462.403 6418595.521 10230468.34 7361484.123 7126609.193 9415642.378 10616244.14 5602035.705 14760181.79 9982228.923 1593737.304 6922771.702 3973102.04 11322712.22 3058428.12 8725352.386 8397451.93 1436464.138 2924789.219 10738197.47 15238599.95 4214407.104 8600672.217 7245390.697 9638086.644 13918325.92 4640227.626 1570748.907 6440175.904 5881679.421 7860555.649 7365447.322 5308639.573 3545389.968 12152494.85 14272891.72 11236349.97 8429436.824 4479931.479 6442342.004 5141666 4358795.897 7455835.602 8424121.557 6216619.755 8623109.706 3516541.325 4410821.006 8059971.134 6142573.171 6031114.396 8692553.958 11682127.21 11243161.87 8148724.136 6509864.614 8384220.055 9386190.023 21196584.24 10783460.75 13712248.54 2799711.082 11613120.81 7999764.009 9708387.149 7845168.807 8585480.343 1869405.801 4518382.662 3792661.889 6459944.751 4342888.858 2515960.335 7225539.207 8877177.315 9418112.735 7956168.926 6577571.96 11244802.64 3529733.442 2057937.271 7569431.399 15052183.47 11438267.62 7343020.704 6088632.943 2372563.494 19604715.38 4335275.401 7318449.331 9831173.518 9108635.949 1484432.983 395387.3622 8090028.416 8113684.882 3794215.005 13055017.41 17110855.04 11173731.26 4922212.905 5501846.86 8278247.705 6549821.682 2549663.732 24554171.71 16562673.48 10102349.75 16756891.98 8224878.121 16262010.91 7519354.809 4883969.514 6446127.712 13832238.79 15915248.9 14061780.22 7116267.662 12002003.93 17853734.58 5527905.968 6574899.691 10009324.19 7307650.088 17801228.55 4410802.794 13333009.81 8487702.042 6057530.567 10439071.56 8546688.665 3808914.734 6247084.405 4601990.162 7853340.935 13342543.41 5798971.86 25448378.79 5124603.966 7371794.775 12442154.41 7904630.245 2275725.29 4769338.503 13632433.66 12536792.17 10509438.35 10532981.95 4056747.006 13297998.42 8328335.229 11995979.28 7010711.386 10402243.1 6097863.408 83903.11669 22322150.03 10114087.27 7286502.043 7336834.677 11987326.04 7464615.968 15175734.54 17905199.29 5755002.629 2932639.26 10716280.45 10638053.33 859519.7178 884611.975 889934.206 696211.4032 1078341.498 3-Ureidoisobutyrate 138220.8535 751272501.6 209025362.6 203846700.2 804066167.5 683819741.8 960325306.1 913835445.9 1023529377 916360958.6 992500396.5 735624398.5 973456505.8 942246352.6 943053868.6 896583345.9 1113997074 878182580.7 773693050.3 1237681197 1003243868 1019047478 961668485.7 882860360.8 1029440784 218823244.9 204906637.1 947498494 889742850.5 834065319.2 996162517.2 863794297.9 1024618473 905457605.4 888714746 738181829.3 836205586.3 771388591.1 779382846.8 857064810.2 908440821.2 786496622.1 793230792.6 757114093.3 788635259.2 728002194 825701586.4 798905958.9 223899758.8 199951668.2 774494597.4 833640489.3 575473285.6 715032303.4 828327387.8 865209963 791658268.3 634660471.6 720349189.6 677063465.4 681083281.6 646418388.3 713015689.4 708543486.5 691057901.2 852044052.4 698690457.4 692791159.1 742962709.9 671200019.6 689375288.2 248440179.8 239801351.9 602334493.5 714838021.3 755646153.9 687886965.3 757461868.8 630647637.7 724141805.7 704726128 721072291.3 665487609 783700256.8 715383304.4 761239179.3 673865149 712322220.5 743289965.1 680540879.4 717360297.4 717098307.9 675824289.4 248217311.4 205358834.7 270774.4149 50899.08285 206206118.9 206123808.4 750887716.2 692088366.6 778993611 846713267.4 679661825 675376148.8 637246284.5 749333213.6 714397892 651326151.5 688668827.4 603800120 697997851.1 697285303.9 664802710.5 762252815.5 253125255.6 216989889.2 673867083.5 719652912.7 652795231.8 705675532.2 660823246.2 620013670 672455867.7 678176539.2 678281904.8 695188010.2 687577109 690419963.2 697439937.8 654747489.4 626304626.6 256984018.6 219726712 714284105.6 743519588 733827957.3 817980029.8 698007494.1 667423657 749503674.1 714707358.6 788054436.6 688255639 677322510.1 691922246.8 771845970.9 650970247.2 693923099.8 260468116.4 236402549.5 716155822 634602655.5 698107106.7 690549772.6 626547382.9 609323186.5 663771944.4 572280.2516 736874759.8 797474341.9 710512657.8 689667172.5 632231056.3 655241359.2 621186142.3 710206277 605859015.8 272882405.8 250270920.3 640762609.7 676905.4374 435689.9112 8696228.346 176310.1733 260635.6049 3,4-Dihydroxymandelic acid 32136.07993 88799.17202 157099.6753 146381.861 88351.69229 198694.4208 103551.5049 102261.3471 205938.7781 94710.58077 535334.1933 90700.63678 95149.41026 87966.83412 103041.7204 101463.7159 470705.7746 89076.58525 169380.3322 95105.1894 123593.4553 91654.97796 93982.40595 81889.21619 100282.1237 153703.3836 148988.3306 87552.24232 87461.23314 195894.5705 103181.2415 97656.25418 150140.9036 82736.97516 83676.23689 248063.8658 4655191.441 82624.91446 90853.96785 86444.57661 100688.8117 378922.1482 101775.7282 90362.30463 448101.0619 113841.0823 87238.99401 105561.0542 157855.792 174060.0253 4139522.008 110132.2993 98250.36511 109093.9673 101255.9286 107056.6858 102777.008 126960.494 394344.1393 111039.3124 113716.6997 92892.73808 405804.9638 101337.4789 118218.769 132465.47 125916.7224 115752.5756 96194.92455 187060.7778 98245.23402 168619.9152 182181.0354 681017.5898 91940.12545 228918.6213 97525.59324 258355.9777 117215.3233 123498.0908 101008.9713 306939.2638 117055.9431 140307.0328 128782.5474 128625.4853 105562.8343 121729.4963 332053.8079 116642.8796 122258.8451 142822.6738 93763.62661 197937.8822 194644.9329 49494.92046 27685.29612 177733.2405 166441.2001 378787.9397 118927.5498 110560.9858 139355.3707 96212.60764 89197.52659 96928.58457 372413.8073 104862.8419 98166.27245 106720.4365 1057821.449 930187.7169 102359.2423 1323597.016 272740.4494 194105.8842 183284.4081 117658.0594 131222.9556 710045.9782 248810.9771 95177.60608 100036.9292 107940.6596 149161.193 133035.3307 237735.5734 121970.2374 125968.7611 114845.9366 114462.4838 1244205.505 218126.3636 219541.2645 139003.9002 236045.4004 154241.4382 131643.5712 659102.2227 148878.379 111939.1292 307097.6339 949282.4918 139776.1435 95407.84398 3276765.317 163880.6663 574835.7844 524712.667 225428.025 232895.2212 706384.9257 152596.8893 130405.2226 105463.2131 157987.2796 137456.8664 178985.0991 85299.88542 149585.909 156181.2976 159953.107 172965.5277 129165.5101 136992.677 1033610.7 135181.7579 136736.216 221628.1438 213789.5438 187989.2236 137791.638 143695.0277 236744.8818 186317.9547 142906.9057 3,5-dichloro-4-hydroxy-benzoic acid 60391.80393 2315040.47 3487248.105 3403040.299 543466.1537 1006448.654 1685004.005 447698.6398 153384.4305 1072362.205 872536.761 1012192.615 2330033.611 248531.212 1131888.861 901184.6859 253255.0028 378717.6605 216198.4967 279478.8566 2114014.105 334273.076 823003.7165 153671.5796 1036772.55 3292135.629 3556483.394 2216557.649 357511.9803 219070.2523 3334317.126 224320.5549 2236485.291 784874.7773 310322.4076 858210.5806 8476650.008 166467.1616 385308.8085 2189057.734 876868.552 1036656.549 1030582.317 362053.9986 4383075.066 292461.3499 1560242.705 631077.4929 3199820.979 3137530.582 1005075.802 432485.0976 413777.1305 231055.8562 149160.4703 466281.7349 277737.605 2781734.384 225825.9364 2840627.437 981984.1906 171527.9714 154495.9833 834122.7186 712717.1109 2345448.817 912863.2917 364332.4103 2754935.173 1814744.06 1388418.48 2900257.916 3456924.546 1853872.338 4199120.907 969364.659 574548.5846 3045059.556 5081468.476 829331.6365 358168.5999 1949927.744 3925981.125 233785.1965 1130024.501 3715560.998 1944322.412 1610314.079 822354.4822 270542.7993 198634.2538 2027049.837 960241.1751 3397435.462 3320024.256 82612.00609 64041.84081 3044751.098 3884049.237 1620401.475 2593976.213 1147079.567 987699.1763 261911.8682 266843.6808 2204991.087 7130104.226 339572.7509 1221500.712 1079792.142 3090690.287 780063.6031 1221530.792 12942049.27 756615.2403 4881862.14 4307082.978 1751499.296 477730.0502 192678.081 4874781.129 129188.9774 1586031.988 10471447.49 558699.8192 503644.5856 2329651.852 22503930.76 218558.375 5196896.72 14241083.02 12328385.93 3879137.327 4236755.092 5711417.671 4083657.865 1505629.332 227052.8045 938024.661 2174763.259 3405048.977 3344126.166 501048.4829 235867.1065 534388.2311 1155683.165 1166233.788 295987.3424 551677.6261 3869437.089 4673520.127 332910.328 4679265.932 1358544.053 302106.2137 462583.9032 1199386.043 1234582.291 87959.8334 11200080.56 17292100.84 323614.6422 1553845.539 1407740.754 278784.6788 2249691.735 1245542.818 8575557.543 3440173.751 4302022.432 3760350.318 74122.00693 81931.00255 99024.97147 106392.7 68492.43921 3,5-dihydroxybenzoic acid 67941.69879 23691090.25 26927413.16 32913586.63 1741326.551 20718199.59 6688119.235 42344008.92 38749636.97 4592901.175 40595091.3 12221277.2 58249283.77 7144076.846 28598321.1 11852890.1 38590271.49 41674889.46 7774199.599 10998299.91 2642891.957 9548899.842 14404459.78 6069872.623 44358285.26 26515986.71 35719496 14901498.08 7787526.706 80280238.65 56833551.68 13887997.07 39963567.8 14194141.98 7936905.941 23298951.62 16661978.24 11422409.5 26447867.71 13990178.36 10681411.21 43679575.15 15405809.39 49731575.52 15941467.69 17881682.56 105806085.8 50331870 25243800.39 30945468.94 12481481.49 17346180.19 7040710.931 24850215.93 17476598.05 37471005.2 32239763.34 17431268.46 12149022.5 31396262.71 29110669.86 9586625.417 29311526.99 7271421.303 63083474.98 22832850.39 11732435.61 56245758.6 4621832.971 21422997.59 13173086.42 21494178.98 32511789.71 8436237.928 13207072.46 7429908.301 9822853.097 45733431.2 24052735.99 13217428.6 17874562.96 6006920.551 22427531.98 3166094.985 94386638.37 6315984.781 23166969.62 9694333.902 40491025.44 24952455.32 33155187.71 27403903.83 14556751.91 26855722.48 28522111.54 92939.76448 72048.04584 27865899.81 32388311.19 19702719.8 9578488.859 28259020.73 12186639.66 7829920.889 20521901.87 18410085.43 27716014.57 49678517.9 78293881.31 17217165.33 50939609.73 70517180.18 13382184.12 18752836.04 8493671.112 36303774.93 41315622.59 19959346.87 22549586.89 19083864.94 30750943.09 5048008.463 38601722.64 6829068.474 23257016.54 34678757.11 39034811.14 8035075.982 57337590.41 39980808.68 40674351.96 35739585.57 31666355.56 39599042.18 107638293.8 84371081.22 66723474.68 20509573.63 25907983.46 41537749.99 7710006.787 16405691.72 61660531.59 24144988.68 18267325.66 40101155.81 69187247.9 10209946.01 12613290.31 26104151.73 43860502.44 13973682.96 34381439.25 7645184.009 9673127.567 44054120.82 30242497.69 47896399.95 98956.15162 45399249.27 15126077.47 88291896.12 23446028.62 30543807.3 39605408.87 20374268.82 36189442.07 38402409.45 25922001.3 34168096.02 35373813.54 83388.38618 92173.62513 125323.1354 119693.4072 77055.03679 3b,16a-Dihydroxyandrostenone sulfate 873230.5832 32295684.69 32823802.13 16982784.89 26269986.1 18770354.26 123425550.2 36029764.66 96664733.93 18066015.18 19790850.07 26795085.58 37373467.06 6033986.955 170265246.4 55549702.85 8315124.896 26242695.59 18206299.22 99804136.08 6707994.058 112419099.9 9102140.377 11164804.67 12594548.17 36397286.37 18334127.8 73911669.68 16145220.86 18853531.32 54543608.58 9734474.632 69254784.04 12793617.51 50708868.29 23461831.2 14730739.32 22599448.27 33750173.5 14040596.12 12380325.11 95419874.16 74545601.63 29536734.25 137189764.5 9726147.022 56640378.46 121669657.3 33843399.78 15643987.94 61725349.49 88915226.17 46710845.5 10325808.09 44410215.27 40455383.47 46803538.35 7703297.106 54041802.87 2768187.347 102469175.7 149478451.6 18194348.57 63295971.5 93209656.12 85166410.53 81962471.68 36066329.35 2681829.846 12446789.71 20647645.24 29680729.63 21673549.9 40504915.78 54405040.59 30292102.41 73242056.65 25746059.66 74334834.33 66185096.21 54619209.06 12997478.49 88360796.88 8149249.503 131687867.1 13192680.1 149921921.6 23760947.99 178550702.9 101086354.2 251433755.9 4705662.947 91987922.14 41842371.34 18752299.31 1615793.039 336873.7382 42824249.48 20914080.79 10763908.03 20694389.29 84878648.14 39407082.03 30980655.14 25615999.38 59011041.54 21505028.79 9915418.629 153073947.9 13696655.34 16778093.41 63080709.31 154155352.8 100824475.6 8880373.594 66493899.98 24438526.64 8885045.977 24271771.38 85469058.44 58140405.44 34181081.03 9423772.005 25202303.45 27452998.42 58360285.36 24315221.23 7111304.443 31950611.43 23052996.5 46590270.4 33934809.87 52575279.83 26291843.58 37643385.72 21370221.62 27601086.05 145208621.6 31989427.65 34191239.18 16961533.3 9606895.609 23872586.75 24306121.97 24650878.82 8966037.432 16987710.41 78439988.21 72597382.3 55815810.73 32369658.76 54079901.06 30103097.64 14257561.94 35163413.85 18215624.48 69161304.54 25240095.56 124579.4295 34979719.32 50564964.24 58513778.42 61744888.51 26281586.99 163312836.7 71357232.63 31115577.56 41280656.3 50148901.69 25726962.54 51015725.24 407597.973 1173881.551 1051944.092 1454435.871 380943.9408 4-(2-Hydroxyethyl)phenyl hydrogen sulfate 83859.51899 12490494.64 8833972.997 11547527.52 1691080.959 780832.9019 807356.3428 7374764.022 678105.6982 867934.3952 271546.8687 1512897.385 2862002.457 502331.7759 5913473.037 8825180.565 2230967.43 7089018.514 1220539.355 5003695.566 871053.0023 7487288.125 3647499.265 799064.8903 7116143.033 7532829.932 11375458.3 122883.6169 3814989.356 2613238.93 2230616.166 1399196.783 11137399.44 9797217.583 5606239.69 281234.4024 3300612.376 16522019.8 1576701.081 1951621.852 2223434.168 5278923.085 1287098.534 1269115.05 319555.0397 1747573.417 243294.6668 736551.2467 7296669.111 9593995.033 1470230.444 17777012.79 108772.6697 5762658.611 3299951.441 1986727.681 3111280.185 186520.1282 6801461.053 4840796.767 1032471.657 108446.9442 1437393.271 234692.6627 3923793.128 736329.0465 156908.8796 7708400.436 651992.9476 2867748.794 9773476.486 5735908.415 10396596.81 760183.4103 5731047.221 10346204.76 518792.6162 9786442.811 941747.3769 339859.4968 11998824.54 1369221.195 393340.3751 536959.6104 5347507.364 5949904.047 1390654.618 6854817.849 3647953.001 179388.2658 1682140.997 5127535.955 79421.74734 6697820.631 8482556.188 118602.0438 125647.172 6423727.706 8612738.243 4512911.702 154777.446 171635.791 5748051.178 982186.551 2857482.438 1777399.918 4314772.933 5541459.595 685495.7011 5720094.324 492591.839 1194390.474 543185.6934 564077.4934 1128264.714 7727121.079 9177172.259 17611931.54 12329891.15 5462214.074 2216492.457 694263.8067 2543419.32 4533450.308 4174380.686 6317210.523 6481819.358 908315.0055 5001975.398 5580409.608 4282979.794 898083.4476 6854787.57 9159657.378 496548.8993 2113772.628 2834470.527 545109.8035 3789533.352 3795368.116 530091.0022 721728.7261 9721016.623 9236587.489 650364.0603 3244433.903 6527603.885 85271.68664 1364516.071 5676605.304 9507825.139 1964810.367 1170884.067 123905.8963 12262512.75 249021.4133 451762.0607 3154279.441 109587.9458 232414.3023 5884273.747 3388609.324 323827.5449 2024532.781 1435959.324 3124103.411 1973107.473 375835.8245 6217921.502 9234704.311 9146575.667 100452.5653 103870.6026 59547.25903 110528.7141 200730.1027 4-amino-butanoic acid 340570.552 9373582.232 20222735.7 20729088.8 9228313.715 10855571.8 6091526.888 12080767.72 9525230.306 8007142.451 7302502.043 9082389.998 9004714.154 9248327.323 8015795.691 12226572.3 22975712.63 14399974.48 11600749.54 7784328.251 7744419.993 7673087.799 7552957.001 14313240.49 7309567.327 20927788.7 22019396.72 7109662.714 5442994.283 9873248.849 14706104.7 12018375.07 10613521.67 8583247.399 14740664.64 9250913.273 6749409.84 10415396.05 10004826.08 7879639.132 11679775.08 5662475.468 8692485.871 10021191.59 8405294.086 15487041.5 8838234.764 7079564.189 18387491.12 20123989.28 8917432.776 10699989.19 15904782.95 7720926.418 7953385.814 11840426.05 18032485.81 16049237.95 5965406.825 11747927.33 10396789.4 9732372.563 10371798.36 7074071.962 8591911.874 9490625.232 10581493.63 12748893.77 8082597.294 14219366.5 8382733.389 17403832.61 23088457.29 8256466.329 13146335.57 7149780.301 10538062.04 11939811.45 9912675.935 7366204.819 8083545.148 7098394.988 8211261.484 18401227.8 12730410.23 7324539.583 5972173.23 7717365.811 6239379.293 6717497.588 12180990 10247368 5273005.97 14130720.52 19512729.85 1394450.987 672636.7133 18708717.96 19538649.8 11856920.48 7090144.398 14711872.73 8907704.532 9300628.083 4814758.88 10426065.1 9445137.57 8131861.16 8407099.353 8491912.728 10760678.62 6372935.801 7674499.54 9017864.781 9286096.904 15564380.64 16153756.77 11107880.95 4885140.036 8626953.844 6724903.884 11554630.62 8022151.134 6145635.596 15227687.36 6666934.118 5696659.978 7458562.164 8703732.77 9749882.056 7475962.537 7071726.022 14885058.98 20126709.75 6129936.973 12116024.17 8091184.516 13539837.11 5814441.688 6219703.057 8604608.204 5183356.03 15114317.53 9479292.356 10313552.22 5637884.386 13084314.61 17058876.5 12462967.02 13142251.46 18254742.73 13128299.96 11212116.66 12705730.87 8858304.35 5125204.486 8926788.902 9630942.147 591041.205 9664018.825 21446720.72 10232201.57 8276688.742 7631295.604 7721107.713 8212236.821 6100377.234 9370414.082 15502553.63 19809206.11 16086675.62 600609.6992 1431712.986 893216.6472 956643.3294 464368.3474 4-Coumarylalcohol1 80351.36848 894717.6625 1038284.003 887736.2146 502569.5948 91083.8884 1534898.562 886395.1903 317077.5676 520300.9801 94221.50437 504493.5849 173037.0096 58727.36539 1804458.96 1900712.055 344629.5992 414502.535 138932.7754 1139528.695 114570.9305 70840.70588 2455268.87 383302.6226 6077288.026 821068.1491 170403.3837 144402.4033 2404478.929 124084.5752 57106.44117 430662.1558 151841.5368 67122.88484 654092.5129 574222.6056 1021876.063 149949.9243 1070530.627 1442350.092 178664.178 122823.0128 259901.6381 655688.9768 293287.8717 123970.5697 73833.54775 210824.2995 192518.4895 203155.5451 67290.80422 261101.3994 206656.3556 2020623.642 80236.05875 131537.8655 87889.58212 73100.74505 7858827.355 58181.9168 144033.677 108286.5011 1111900.52 270947.645 1433823.285 1240902.213 167133.5702 77494.39622 456309.6094 281083.0166 382456.1038 299385.4397 605426.9241 586496.8467 147905.0198 83508.87028 75829.42007 145869.8212 73333.60969 163260.9443 83973.67147 533767.6402 259109.0735 88763.82814 86273.08138 551307.7797 150330.3145 121257.7367 103257.8654 125997.1515 481033.1774 516959.6397 73759.91797 524475.1317 166433.4648 57537.92745 95849.91998 269034.4569 593804.2803 631530.403 233044.0479 88288.87851 80943.4066 1149280.146 2571350.923 319260.0739 4496871.763 934242.8792 109590.0893 783836.5778 202623.5598 206261.5244 801837.7915 185095.6802 85674.30686 241776.2151 190287.386 246632.2624 6727103.431 75005.24295 158154.2435 104370.9624 2050783.691 92263.16258 166028.7563 1063318.412 575116.9799 75587.39372 2888099.853 4825228.673 170564.5088 240769.0231 91914.37221 588573.0608 87949.19925 1061695.935 116851.9147 377487.4162 2947802.929 548547.1937 837482.6934 646734.9469 214819.6824 711203.4565 571220.5913 1064143.126 1558081.205 122763.3492 321295.6042 136498.5572 516476.8542 2029938.076 106381.8264 3186792.005 857437.1342 802479.8138 118544.412 1328573.165 70280.61875 113110.5769 792059.1062 80401.75986 120282.8122 1357647.468 131362.7344 665270.346 516112.92 147399.3426 968922.7491 114119.6358 1111475.602 100528.1274 54439.00077 132512.1394 84180.07482 83871.23872 4-Coumarylalcohol2 1642809.667 4709438.915 4304031.363 4304180.289 3118962.061 1781392.785 4167403.35 2854005.439 8759939.441 2665609.877 582693.1587 2576602.666 1451125.328 658845.8997 5022710.233 7078122.948 1104184.983 2754346.526 4142100.749 4567399.148 1353912.431 8047056.195 7576215.69 2022110.93 18659279.4 4289085.323 4600907.909 1523641.852 8289950.828 2750496.577 1124936.241 2898414.71 1795722.174 1427636.413 6858702.189 2215739.476 4850157.673 1352458.496 4833843.681 6490421.993 2248612.597 2060504.85 2888947.971 3447466.91 1955499.268 1194055.161 963767.2589 1249517.92 4150603.683 4060284.249 1680064.054 4436709.185 1593050.851 7837776.703 2280324.563 986984.0606 3502437.715 1312681.953 30806854.82 1341664.464 3977346.051 1804772.395 5375825.515 1710320.741 11763997.54 5460456.022 2681680.997 966109.0241 5049173.609 2247452.83 3760668.709 4942093.19 5217514.102 7972828.28 2167094.242 1142629.019 997400.0439 1538844.351 1284361.54 1167986.469 1608524.22 2856370.276 1578879.471 1752492.513 1509452.476 8746830.191 1247509.799 1486906.973 2749229.5 1527504.007 3966077.612 2878687.863 2105898.786 4724841.422 5876400.153 2565867.17 6052100.897 4926886.562 4772164.819 4978702.334 2467868.583 1304104.22 2066854.422 7364399.218 12059013.13 3703414.302 16866673.3 8038094.725 1778039.128 4748611.117 1776240.84 3795044.61 4975718.314 2253109.49 2239275.833 5889570.508 5517193.05 2931897.99 30449646.1 2529021.584 1711700.244 2948828.445 12813422.89 1943627.533 7436743 7839577.232 3395226.712 1536323.037 29361623.14 21800315.63 10437387 11744614.09 8308420.26 6387648.161 5874183.613 5861210.085 9650996.608 2749076.234 13505743.63 13284440.21 8209542.696 5662607.228 2040125.538 7962767.679 4238776.524 6716879.807 11697018.67 2284496.224 4853282.193 6346950.661 6828229.13 8973998.3 3588873.676 27461612.61 9888453.776 8218637.5 2334366.648 8696978.808 80524.71586 2530114.191 9539607.139 4179466.408 5326147.813 17219879.26 2453928.602 5742492.726 5617744.404 7581839.47 6645613.542 6879002.426 7675514.135 2961969.56 5388526.033 5811827.957 4921544.413 264005.1835 4-Ethyl-2-methoxyphenyl hydrogen sulfate 77541.47288 2863327.456 2460555.515 3128426.798 120905.7266 141470.1011 874180.2716 1089215.344 1768162.883 122264.6145 136027.738 242763.3873 600910.0344 167013.609 106376.6679 551064.7806 188220.4595 3594049.851 168720.1875 766750.9454 105966.1124 1227457.309 8333064.299 389420.4858 6360547.749 1843211.474 3040783.652 103161.5486 217195.2276 287543.1426 930262.2124 158092.1601 400671.7425 3059304.255 1777188.135 620011.9367 695807.5125 261871.6233 112541.9166 1038932.506 490868.835 613312.0552 124957.4821 162665.4188 180371.8537 481224.2693 89804.67232 163399.5149 1794484.293 2372628.97 116202.2801 317369.4033 126523.0026 896560.3207 1068455.44 407014.7686 594170.5548 165554.8302 1600927.271 1834797.345 1096077.868 1062023.822 1227758.716 80894.10315 2003452.301 136872.4343 242354.7193 823421.0553 1100647.955 939990.346 241525.0504 1105911.196 2391331.444 677823.0672 1692872.894 178547.1156 171313.9145 456815.1682 349539.5823 145466.8927 916825.1339 458765.9911 175361.8338 464853.1755 1601553.895 959490.2382 99199.08661 203331.0407 369840.3666 94607.53213 245651.2472 232680.7157 83508.45476 1453304.173 2111989.714 109666.4669 116180.8093 2134072.176 2495440.375 268475.9982 86775.93522 106901.5266 1728558.799 216909.2409 214515.0215 210458.5377 618914.2007 1202505.32 97322.36727 704758.4303 328270.1105 119100.222 191805.2173 199266.6363 1797451.248 2414091.247 2534783.478 2836392.401 211267.1531 168029.9468 593272.9826 88400.13829 170077.3201 705612.2872 791428.5971 3214973.957 125566.7166 131975.908 470320.8871 11049232.29 146710.6385 97375.8832 1474218.449 2351255.329 567195.5522 624947.519 9678791.206 164936.3392 237695.1017 2246210.314 474798.676 1531854.507 1649954.962 204899.6011 145756.4134 236947.044 2482529.069 94261.69013 208464.0311 1939637.863 2207006.308 2936157.504 85734.49369 148912.5209 227711.7179 142748.8352 287432.4129 704062.2882 101331.4985 78147.1046 3361438.973 147858.9352 2589599.571 529773.1928 155897.4631 1000767.035 967086.6403 214154.3229 2047397.388 2915453.222 2465133.911 92884.38526 96044.90478 68095.82376 113714.6937 185606.9293 4-Formyl-2-methoxyphenyl hydrogen sulfate 88256.47475 7766993.068 6162092.273 4839528.931 1145095.443 1878535.858 285076155.2 20294340.58 22938081.48 4357494.65 9524450.549 43937782.66 3154887.504 664422.7575 628481.9945 329540.6873 3472160.576 10973918.02 26003049.3 417362.5233 10260604.3 4463203.455 430061.8617 835626.3437 489604.0625 4971570.716 3930367.457 1248953.117 384204.8041 3141630.928 1636787.396 256474.3968 29576875.28 12378187.74 665774.2689 738246.0156 673077.1526 300745.717 352235.525 561393.1066 312745.7383 2808623.164 72310911.51 13763709.59 119626866.2 578555.6051 1329131.3 496954.7023 5039619.386 3803329.508 1008598.687 57156856.18 9527047.099 374340.9874 200953.29 357203.9433 572661.1507 1645630.029 767614.6911 35262428.13 1757310.351 203998.2953 568999.4083 871353.5556 2735302.024 167193792.8 18274165.51 21490056.13 29164893.01 5971686.708 729935.5884 4561879.235 3205898.543 321929.8429 3249116.183 15974678.99 1718168.861 5877677.702 101345959.2 5374621.536 22709652.06 4318965.058 846929.8935 47218738.87 4099284.355 471366.7124 4515082.249 13917149.12 18581697.11 635809.3706 377401.1591 6111475.266 443166.532 5000980.695 2916172.94 124820.6335 132235.1547 4326667.313 1439430.462 18798043.61 47157310.81 4548029.625 1458506.38 10300430.37 24842180.71 6775369.418 62407202.25 19488949.3 15229226.86 23871316.02 1013428.399 7913832.982 70765322.77 1598699.376 241967035.2 5642908.519 3670673.944 4525724.292 2133298.926 248303798.7 15386140.86 937257.3404 70444598.14 7964205.027 1001188.783 10245325.53 46140705.01 2587183.195 2390779.066 16599009.1 34974259.93 15210518.02 4862572.485 3425635.042 1380993.316 11456886.67 17458444.53 1283945.294 5133135.989 16789389.48 49438941.41 103017923.1 29352239.53 1949429.518 2849261.632 2583495.811 894806.4573 4575716.246 1080080.376 4935516.687 3992597.79 9478450.916 4030758.074 18242570.51 367516.586 4155157.614 34734851.27 23665197.74 115333.9046 9079701.261 31948368.77 1033878.156 6662460.213 8331790.06 2651129.949 18973792.03 9301117.758 10295943.02 4957061.664 3524918.509 7156273.216 105719.5343 109316.7875 128377.5752 129428.2611 87900.63764 4-Methylene-L-glutamine 33828.27824 145553.8349 84581.36322 51650.06248 198773.1605 86482.24831 193009.8599 72339.90238 223067.1415 72519.1373 384171.9458 58570.43742 80075.02918 81933.59377 169629.5469 256936.6198 566977.0886 281989.0088 241040.3136 264276.6885 76242.33102 262745.3472 322719.4158 262741.6966 336764.9416 59754.96443 41546.70585 70419.66689 71648.7446 269053.9448 131511.7379 201836.4629 74872.56292 104012.2243 191945.3659 238995.9064 241297.2338 126438.855 103232.3052 255584.0019 153707.2784 65671.35784 240733.9446 201494.4439 134284.0286 68021.29254 237773.2426 225221.9431 48898.28737 74390.43093 172195.2496 313592.5601 117248.6133 145958.7626 211907.885 75792.10365 80579.31523 68102.67015 142680.4743 180819.9845 280122.2189 75317.50977 243816.6749 264225.4338 124626.8553 329787.5657 86813.7657 145835.6326 239772.2402 95275.00211 240330.5994 82839.02969 40492.83522 122588.4066 237377.0958 142896.5768 218918.7781 175792.8803 165954.2904 206756.6574 231715.4204 295184.0007 164732.0301 369947.2965 186032.332 240673.5977 163668.3276 194298.8112 177364.5676 135843.3233 199015.5029 281067.9225 166469.5456 53407.68912 48647.107 38499.38525 25228.77191 40975.09092 45082.9635 272913.0033 202882.5949 185315.923 320664.2474 102004.1824 146675.3789 213879.4071 127098.7282 233737.649 201635.6352 449155.9364 84855.51951 72531.08814 77093.92396 112767.0736 236628.3383 47355.99986 50143.88381 103620.5896 299906.7485 69629.30552 259677.7323 205394.3169 163383.0876 65961.46915 334278.0119 217387.1738 259194.858 398489.805 200777.0265 205718.5212 269790.5626 197384.2689 47414.81531 46688.70208 246265.1561 849481.7014 142159.0819 304269.8698 241968.3813 216853.6781 218720.9679 221962.4529 292143.3221 635039.4656 149252.4555 208519.244 311002.0988 287481.1128 227276.0754 45282.75945 78125.70784 209782.4275 139247.8915 343777.0959 483518.9543 63029.93508 226979.5718 232383.3302 34436.96176 225887.3242 296752.9255 203555.0589 238209.2612 230546.9833 170149.5662 242224.0458 174241.9059 81967.22357 70654.08505 40149.67505 68483.68481 32171.14201 41041.69983 33968.56048 37682.31504 26313.86861 4-phenolsulfonic acid 137359.0819 211424170.8 190700647.3 185547270.1 63966356.92 153904025.4 494234734.2 145543589.8 289181988.8 147714003.5 389202132.7 859271214.7 73503669.97 284478471.6 169921486.1 172996917.7 46165484.87 1143538387 986769013.8 223697850.5 327753305.1 59139544.85 79626413.17 56349617.28 107491430.3 179522292 197085441.6 741015311.3 403960536.7 348380802.1 74316808.44 68635696.64 1006400610 1179141140 65696785.15 236428463.3 200982203.1 307541294.2 74617384.7 95294870.99 89887279.52 180707490.9 1335033045 86664870.66 376992620.1 771258076.1 100865119.1 316241488.5 189211470.1 181623400.3 110703346.6 233977905.1 293477038.4 469175030.2 809731131.9 2446404546 2668051917 170492645.6 568238384.3 221809782.2 1463064963 210710135.9 273515814.7 491304521.6 67171632.1 733199101 118771897 267792723 160325865 243035391.2 293314817.4 187350377.4 211050064.4 241521460 427965285.1 1043904701 183196847.9 85783356.91 136774779.7 3215387592 576135617.2 207299739.5 490946532.2 572618094.6 121316011.9 192199812.4 147172106.8 721288522.1 558230847.6 477248512.6 503983569.3 200294616.4 386143884.3 182374241.8 191324777.4 376873.7872 406317.1258 171946862.6 187331981.4 93243142.4 313551887.3 374746396.9 1763451661 1255741369 122582517.7 454087031 217443424.1 488077526.6 123779276 33943344.08 252626365.3 143872184.4 155433026.6 408578322.5 69852396.85 221334054.8 203004014.9 45416031.35 85393325.52 120991984 143111166.5 294537724 54637897.22 181353786.9 249029961.3 52824916.7 106329852.5 20668064.31 211874136.7 319389367.5 38456574.46 301449194.2 197108920 199354344.5 274119600.3 532791875.6 143144864.8 84745234.08 83753459.59 77828954.32 46988250.53 143601999.9 119397473.7 494650039 39305685.12 267460696.9 343052702.5 288428541.3 212410777.5 194837483.7 220477954 153104944.2 127211224.5 266576209.6 412677090.1 470202970.6 99964188.31 208955544.3 184481.7011 192994946.8 280799187.7 388456733.2 72114076.29 118821128.7 76586382.95 187601200.1 190370345.4 700166217.4 210126001.1 217109939.4 243385815.6 130031.0412 143051.8788 4509786.71 233841.0412 211410.9047 4-vinylguaiacol sulfate 83662.16833 4190506.913 3385237.576 4539736.06 561449.3327 283010.3115 571720.8077 701914.2542 2890066.74 1394200.864 3130183.809 1476231.381 1127161.705 2049713.082 305558.5156 575277.3975 159719.1125 1917761.173 1285269.466 2377452.35 1874730.584 423979.1454 1844506.411 219948.7688 1405275.058 3116849.884 3762371.611 96645.01769 1537148.384 2562625.694 7695003.574 635386.0989 1613011.936 5054147.819 2313494.825 701759.6903 284596.2335 1210507.439 131363.498 730052.4718 427344.4757 600192.7967 223814.6966 297288.7373 869020.9497 6175171.944 4508962.106 661135.2597 2888413.454 4063072.81 2251204.816 611650.4203 174350.8511 609285.7277 585961.9585 2092459.258 738315.2448 299714.0592 732721.6474 7629796.436 889026.4057 3052921.857 6896813.517 1433448.713 2234566.572 1452270.904 1003716.301 3634874.787 1465928.434 770976.157 752982.8467 2746941.775 4642459.302 849470.1869 315813.1256 110412.8972 213692.7655 1554839.785 1007518.789 270932.7339 3982518.438 778794.0674 403163.1942 535695.9574 3575956.164 621499.4818 7342887.719 704748.3089 1233462.225 734035.08 465257.9925 1637017.452 545819.1448 2722775.583 3635862.976 118322.9318 125351.4805 2489467.824 3115461.751 302863.4721 932006.3105 457482.3972 6458642.075 986403.2203 973939.6496 180671.1259 1734098.818 307493.4353 1699823.961 256539.3771 661152.5013 2249280.105 282624.6103 204518.6496 603064.2348 3932684.704 1694005.553 11047164.14 7524331.97 146708.0885 1064466.193 1016455.694 2111121.397 191758.4044 928236.7059 856955.555 3302249.717 846425.2512 714842.922 4510283.086 272519.3241 474301.234 2776599.692 4150351.194 983395.278 1038667.913 4481524.102 150669.5479 4916747.226 3743538.216 801142.6296 3322327.873 936509.3006 2831610.757 1949224.152 223391.6926 7819978.748 135974.7679 312636.4381 2340378.294 4344256.394 4495248.325 2025067.017 502956.7911 224018.4852 339912.6336 1236011.67 3595256.801 109330.0471 746741.3412 1583801.628 1331618.392 4730489.855 4494614.233 2822696.074 442894.3941 1588968.152 1885541.322 2719065.946 4279904.081 2274594.603 100216.1654 103626.1589 59407.12359 110268.6016 200257.7148 4-vinylphenol sulfate 85241.56131 23920955.15 15032883.41 19601757.7 961122.1041 981099.492 778927.1036 8417755.704 1077366.111 6289002.543 6896645.837 659389.2719 10576059.2 5084274.994 17183010.39 9118577.486 3420157.334 2349693.886 31120180.03 4945355.448 1956482.471 14506204.22 4456596.067 2967474.137 11578597.89 14384983.76 20352726.5 1147548.142 338494.767 3258207.539 7933098.099 7006764.193 58874530.47 32822412.71 3837584.867 10007254.98 10870886.41 10516682.78 45415623.1 1742152.365 190479.824 16166950.03 6367814.45 1497605.512 1134604.127 30536836.29 21436801.28 4759954.978 16562264.69 18884959.71 40736862.99 40368393.3 188893.4895 24680028.34 532492.3731 12644464.8 5945217.178 2803977.605 113825824.5 10895611.97 932466.8961 520367.3009 4124056.399 4422110.745 2515727.05 865884.0513 1121358.737 11414493.54 1350548.459 68139990.01 4123399.391 15470162.59 21752137.74 603747.0432 5929487.797 7547414.471 3423985.458 5240810.204 946030.5144 4133038.932 22404461.06 610005.7119 5611979.407 3816826.052 12231811.93 11095956.93 1944487.804 4174506.74 31212615.89 50318827.26 417865.6532 26563766.15 572420.6212 15765098.9 19328447.59 120556.6584 127717.8935 14283000.6 26815804.91 40934978.53 1886427.676 2007340.351 11806458.69 1008562.39 4339119.646 2453939.757 9910883.185 26978116.81 1744744 12953462.76 5610047.634 3228099.247 1401643.142 3875700.996 1963955.591 18079725.91 21309672.68 71448048.48 22505431.87 11862998.25 17573986.75 4693230.449 2226161.692 5759141.049 4310759.589 5257558.384 3277176.475 1502279.972 31715334.59 9250674.598 7569856.648 1093125.782 15888756.72 20693658.51 73676445.68 32519907.91 4165763.357 7947849.573 1681055.709 12899845.36 2199896.641 15445335.1 65602055.82 16955743.31 3682703.865 7136642.378 54393955.61 365390.0521 849730.5859 16283451.21 23236109.51 8306793.037 31666555.21 2052637.015 57318634.28 3036023.318 1716739.912 10155738.07 111394.004 1128142.309 3753269.705 15764434.31 6556950.148 19267485.48 5817315.87 2943091.037 10270486.73 3503796.822 17385136.47 23889731.33 25764764.14 102108.0684 105582.4365 74857.93241 125006.8857 84897.87988 4,5-Dihydroxy-1-naphthalenesulfonic acid 77551.67176 1765206.77 1726498.446 2017158.059 206506.5472 79767.66208 100434.0142 630570.0394 122237.896 87594.22009 118152.7837 80781.53311 156463.0654 306066.9813 92630.0074 109864.8806 139064.5337 106325.7116 83796.82699 4915780.671 93171.5667 270018.731 185667.5294 228905.9105 140024.8056 1471424.412 1817859.44 102964.9962 79747.11913 77242.40019 738254.4466 206707.5251 787061.1293 1614909.249 1377686.169 73383.4923 226400.9001 82224.65619 66029.92699 280204.6661 162217.7809 228463.2159 72765.54509 311868.9477 80814.80118 135676.5167 259027.4364 432813.7785 1306128.189 1582471.279 167717.9269 104765.7201 80196.16124 74983.84385 71046.71077 60528.39533 844683.0808 102874.574 380331.2456 1135851.468 84307.46382 78090.69748 75185.20495 375766.2794 375962.2079 96786.46147 149608.7559 205605.7555 439340.7803 383232.0937 88740.07825 1228076.174 1113084.959 337203.0203 970354.9344 100267.5589 90871.35609 1141022.745 122243.4762 132194.2043 183718.5236 75303.3439 168198.7138 496569.9298 1152462.247 375489.5205 80255.79307 80173.26495 117580.6362 94619.97568 74887.59127 119003.8535 69664.70659 1279637.935 1293292.297 109680.8911 72505.48756 1262529.178 828013.3662 115431.0519 449307.5081 245837.6294 149931.2339 94162.51988 105076.0727 89010.04711 454473.7526 151385.5443 112703.9223 87960.99807 185340.3077 95324.09747 485117.3373 75976.08179 399773.0782 1525327.508 883801.7592 1094230.677 231599.3217 94577.02443 404304.6097 50413.38173 105795.8018 365432.3719 129493.2775 178401.6679 83565.94512 94676.72096 168358.9484 586914.2626 247199.5733 205553.6722 1071802.729 997829.348 5184379.362 89979.36886 99303.29483 109321.862 4280060.908 480171.644 102339.5183 521092.6827 208096.823 88109.32398 199202.8398 126585.4091 486250.721 81266.70071 118953.5928 1082715.008 1133310.299 106521.9078 139465.5075 462174.9869 276324.9459 110157.9737 612475.3129 559322.6617 101344.8264 162100.1028 487136.9634 291262.9932 117218.5787 958310.7783 155917.968 84582.99322 907837.683 96983.43782 1144621.627 1016779.042 1181749.134 83258.68284 96057.53739 52634.58177 102214.831 185631.3418 5-Acetylamino-6-formylamino-3-methyluracil 109335.2689 31630724.69 548134.1989 2397595.895 1196729.802 448676.8818 4638776.602 145336664.5 819373.9295 1717828.476 31720365.74 4172453.51 2602753.17 148853.9134 4454686.539 64066801.74 10716133 63544132.17 210327.5836 33573275.69 980721.3015 102696580.7 174656495.3 48587640.63 63864645.53 367739.448 2294674.773 217598.3513 12658957.87 3960606.212 8743356.743 1147172.958 36050195.27 96685915.09 37079752.92 1233596.06 4782447.99 77357983.85 7565327.312 12552261.39 10983716.8 31279354.15 967912.0387 52305466.93 2447379.425 166005.6845 142544.5844 2075384.164 276327.1061 1713296.756 6713984.594 31366237.82 17720097.86 23222986.39 290033.2458 10303703.24 1335798.07 13441920.92 1506825.673 3515807.926 20502653.67 160877.5878 17347741.73 142524.7816 4132250.043 188887.0922 181156.6183 31216691.71 14665276.36 6403691.062 6660526.378 200286.4467 2020804.181 4518595.508 1506764.07 80262870.14 4456758.797 58066425.88 26160033.94 2222545.101 4563502.306 2254462.076 14390868.54 23029617.09 2962624.901 2883386.542 7570448.381 48927328.94 12845237.31 327720.2144 9736421.612 15286115.71 138682.0349 361340.3703 1362181.945 153535.7463 119198.187 260809.9281 1497806.148 19563014.3 201176.7759 227079.8785 13320928.26 2923868.834 24262172.08 161149.5747 48824957.56 9811212.34 15497783.07 13643401.92 31215281.09 116768063 1479174.189 5835305.029 16531613.24 228648.2258 1659551.198 63743311.8 3196770.927 289215.6829 863350.0896 24040128.02 12605737.66 18727833.72 101976781 30489655.75 28593324.87 37609463.4 95284444.61 184813.6777 22196176.44 21489435.77 211846.1454 1583091.999 184263.3027 224261.3666 2821487.57 3695228.919 37642753.76 8281241.844 1500735.649 243372.582 41558504.68 59417214.96 4928385.349 33488261.64 205380.9332 71293831.95 5371077.988 311016.7127 1691255.643 1646996.314 41150278.81 18044731.71 33089993.23 5811949.88 547838.7877 7871858.593 174407.7764 182907.6264 3608406.44 90997464.69 4940569.341 31332098.98 14301282.55 2279097.643 201585.043 16078334.79 167885.751 2232447.468 24110942.69 185025.1642 119413.1492 130752.8005 236981.3843 178982.9415 5-hydroxy-2,4-dioxopentanoic acid 62397.28289 44272429.98 344023349.6 309894906 33238115.3 38876279.15 37381817.68 182643659.5 53006070.81 41215027.38 37232522.91 50025474.42 39083304.06 25410737.57 63247721.22 39113502.75 96213121.94 99672684.78 37296300.21 46815671.69 37235977.57 54683473.24 25681877.57 67281429.55 31382022.33 328504203.2 310179210.6 42707738.02 41841564.03 39181624.82 47343600.14 39390215.41 41503389.42 36062128.41 56964663.27 29123347.33 34993994.58 53665831.54 44254664.91 24166517.69 45691876.79 34872600.77 30730470.56 40118196.67 36408952.55 89097680.35 31243051.51 44324887.79 273412515.2 273680858.4 35626694.89 67891434.09 79713511.05 48801507.49 52606131.51 48691372.94 61394672.95 100409967.7 30150174.87 69994834.71 52039287.81 27013123.87 43441291.66 51976147.37 50263378.17 58861494.21 34022392.22 48375515.85 27844134.35 58091379.28 59592138.15 356518107.5 324294388.3 25313471.09 56881106.29 44513150.47 37357173.54 63339226.77 67858782.28 51029068.78 55738799.77 58238267.97 41502436.86 126506441.4 55749756.96 48625848.18 55614189.21 50923220.81 52750629.09 22840767.27 32481261.06 46629905.02 35224161.57 448783376.9 397237210.9 65928.5776 47611.41398 381950266.1 338744715 65684843.84 26740866.32 33504863.13 36357996.18 41377673.48 29234674.92 42930339.82 54282352.01 45758918.71 45101254.02 40223594 44273321.08 42650948.84 54898065.05 55188642.21 43830016.18 355052699.4 333035870.6 52490360.61 76036236.09 57849905 22963370.33 37820571.95 59019354.95 59607745.9 54375381.59 66658903.83 37439914.27 45408883.32 45950938.24 53139263.16 38768966.24 42371691.88 500388719.9 429417155.9 36474595.02 42889345.42 49779155.22 94752593.67 60451966.73 51687011.24 49342151.57 30823576.76 77752319.25 50200142.66 53931372.11 47951003.86 46199537.47 82095423.34 60888225.21 538003805.6 460256160.5 89947955.75 72349128.94 42758391.78 58906627.38 43453483.91 43167614.49 42008981.37 146535.9552 35936883.15 19033349.24 76652126.9 15093474.25 54596651.37 13312932.14 58265881.71 52219784.05 40519735.47 323877200.8 301850914.2 28417220.07 327189.1582 165988.3546 306521.2806 276635.842 326029.2574 5-Hydroxyisourate 245243.7545 97483774.36 71694338.69 70409937.3 72772717.02 65085975.89 72121832.18 75666687.48 62952957.84 67054359.09 80361483.96 80579962.79 78528638.91 108334098.2 82420324.49 112901763 109461038.7 126471933.2 93952163.07 91401539.92 50008350.22 68852412.25 57952030.66 123466201.5 58759525.39 68467336.68 66270595.41 65580933.79 73050603.32 121008136.6 117189489.9 82298839.55 91767936.65 101731165.3 88928826.77 104790484.8 63265025.2 107828684.7 92616160.74 79647595.68 97041011.28 92627959.03 92515731.75 101045471.9 76226499.3 114566377.2 74337785.26 72785108.44 65928484.28 57757224.12 75474374.36 103258372.1 69546682.51 80646454.89 70619464.81 111004645 117263583.1 62462078.34 47935009.92 89754628.34 71817258.94 91121312.63 84006930.84 70361587.6 69280879.07 67962599.24 74903132.06 89523155.92 73898902.51 79161182.73 78680386.3 48646395.77 62299767.04 58400368.77 52886760.99 83160896.53 103729005.5 78125904.01 91405764.78 61090600.44 45659146.11 47160485.15 98069902.95 75322413.36 28923939.26 63145966.18 68360938.77 88855976.66 50217457.92 86737799.36 159763865.9 83635705.49 62444107.8 54273192.43 49186550.28 249730.7988 225240.7488 75389631.49 69467745.07 81311734.05 61103382.86 79898037.75 86979144.82 64392894.51 84358685.65 98909836.88 60231808.7 52905303.26 75700424.16 86178564.37 62161206.95 77190289.27 69198242.32 59079607.76 79146727.9 63309842.94 59103402.34 46562587.24 56496985 65475591.26 63961476.56 92411613.08 83617112.36 65220132.44 80943971.02 52691993.79 64945650.88 69127493.02 74484572.88 78782292.47 80430521.99 68989029.83 71086800.84 66541574.95 80339502.86 61625288.68 83410676.19 88369635.27 48903246.32 66674432.29 40783937.07 60803771.99 73720064.95 76199184.56 84090672.35 49998841.43 119539031 90570683.53 123517808.9 54452206.26 60283026.92 100548194.5 77695028.17 52517973.9 69613477.78 75291684.25 87048567.23 101437680.7 297333.7574 69902287.87 74024305.15 93203374.69 96367522.64 84525823.7 84425978.46 85670243.37 43908266.33 70525656.76 68422944.89 60312480.47 82023583.05 381395.1738 462679.0433 426081.8099 488177.6303 422292.1615 5-hydroxynorvaline 54212.37935 1086577.411 540343.3931 979543.6929 731728.8287 413190.0698 650646.1251 1484746.586 838700.3023 1205613.552 1503586.99 260922.2557 1007789.146 724394.2806 1304740.892 640721.9236 1372925.818 2864520.087 632682.0944 2582880.863 907817.2214 1537666.397 2230359.499 1517454.06 2744397.475 525679.8751 915435.6387 924588.4695 918550.1458 919053.7206 1483845.296 1121216.813 2781226.924 1631048.171 2698172.594 633210.8825 856218.8722 717549.0464 688695.5155 723428.3949 1049031.568 1352191.472 1002524.93 1007974.186 888673.996 753752.7811 1341158.693 1444180.196 593178.0704 847272.5951 1560386.639 2749639.367 553164.023 2040515.935 728287.9056 1230771.081 1112781.789 1007940.679 1343880.962 832427.1031 1189737.404 435452.1527 2347114.542 761714.3635 891641.2244 1674710.249 940554.3889 1940926.926 784300.3932 848592.6322 1449188.121 512309.2845 1005414.746 427168.9719 727699.5407 2952977.208 858693.2039 2635775.86 425222.0043 1478172.256 1856930.436 1045726.273 912310.8704 1220244.259 1020112.657 1644853.579 521559.3226 1826851.593 1867483.35 1436241.648 810797.0722 1394380.901 649354.8716 559498.6429 983300.0363 64424.94304 71949.11538 528041.3336 925262.5777 1518293.79 1029026.84 1138551.538 784648.9237 778789.4375 863265.0954 708410.8479 3305490.688 1997565.476 693983.1122 1440523.871 705086.0614 1374480.02 685312.6802 1226396.459 3381485.956 564252.5173 863136.1085 1230567.943 1572606.437 947144.2584 982544.0478 927334.398 991883.5792 781902.6321 1562800.22 2126965.678 710533.0316 753939.715 2229894.1 1752711.844 1318230.304 906045.3936 485099.8125 923748.1591 1236784.068 1642724.683 1692192.457 1230597.226 1833631.136 1330457.725 2057491.038 1668347.877 3848857.955 2068527.416 527532.8866 2248487.554 1189162.354 393789.3888 839400.8939 481536.8481 968769.5051 1231770.88 653201.2372 1824127.519 1198925.586 972925.0755 562855.9941 705828.4598 52252.42171 1446219.507 1439247.912 1210290.572 758790.9672 575617.183 916661.8525 680412.2515 128405.8895 553748.2002 515353.076 938862.3987 1561587.24 65730.58833 100891.0232 83863.69861 72540.75505 64842.28824 5-Methoxyindoleacetate 35704.00285 4962641.667 3595233.524 4971221.486 4784522.463 6839928.081 1807763.942 4143397.351 1649983.649 2789957.471 6153154.82 5002381.448 4466402.939 4650222.447 4274566.438 6317339.938 2376788.502 6609383.366 3328876.573 4427280.682 7160335.32 4212393.058 7439036.442 5679056.2 8323342.522 3496765.424 5253784.164 3069017.64 2596477.193 7320212.965 8866506.849 5007112.065 3477361.065 7757437.132 8546059.687 6629069.664 4534255.251 5772439.662 4044958.142 5552283.189 4612924.959 3463862.742 5310270.497 7322121.86 4789388.655 9337979.542 3794541.148 5743496.053 5092704.417 5441707.798 6017412.848 6033303.814 3447384.229 7197300.246 1794212.334 7094640.236 8622225.453 9680087.807 5699770.192 21124770.43 8418495.17 5426167.717 8077538.59 2648609.565 5173129.397 3042017.44 2533829.79 10828043.82 3645905.347 4308932.266 4863331.464 5415406.009 6011481.998 5754682.486 3585536.824 7274552.195 9502535.751 3600272.517 7554515.953 4096089.861 2449841.354 7587358.524 4268357.719 8268944.204 7446748.708 2575575.546 4077871.858 7247581.968 5356688.331 9568390.554 5901635.768 7758982.909 3048536.12 5801154.282 5432420.059 38732.32185 30395.6315 5173900.944 5718085.292 5820986.379 2946885.511 4210294.682 7728084.357 4066091.355 13311454.46 3319182.618 5422119.004 5300444.674 5662813.276 3647729.841 5713258.47 12116731.43 6028831.667 3141694.866 5519783.361 6833934.438 6034869.522 7349436.255 5030647.534 4060284.592 4509593.856 6424483.368 10285687.31 4563916.723 12177492.89 9865565.891 5897369.769 6702607.948 7183614.25 7858853.091 5516488.446 5297667.374 6288025.635 6017573.141 7427286.049 26354596.24 9384621.644 5452978.003 6141306.49 7155259.961 5274603.007 6825152.556 10050486.27 5942000.982 6803673.411 3126036.01 28914072.08 8743793.641 6711750.07 5980405.693 6765843.614 8929379.453 8920548.744 4485379.1 5130036.804 8630689.664 8743725.228 13438022.05 45146.47669 6935555.073 4369235.674 10911755.87 3458877.478 7172121.857 7509899.556 4950202.155 13296540.76 7945533.357 5560560.08 6813374.629 6390604.986 41788.12038 32909.50328 39870.37905 32508.17031 36979.13551 5-methyl-2E-tridecenoic acid 2816939.355 49391876.2 45148112.08 56750420.8 60659468.88 95542765.99 43652451.06 205801503.3 78770464.3 38161005.95 19973001.38 69542870 89932122.99 9448931.848 51425562.8 51681590.43 44327426.93 77608058.38 50414820.5 125359689.3 36204257.9 50598062.35 67325640.77 242682222.3 89656278.04 48959601.12 59351427.67 70364945 50772587.54 93554830.26 20055609.57 37546343.74 22570887.96 87034004.99 76710360.25 55036727.46 27219682.85 164851496.6 93125257.74 47182802.95 57425454.87 48970307.7 107006446.8 107154215.4 24095168.86 55524321.82 40454310.06 81419153.29 51500685.26 57920925.5 42198043.89 52052307.21 72058308.5 72002780.66 52184698.06 67747435.46 87908168.78 56517396.35 33267827.72 29655174.64 74350678.78 179702736.2 135518716.9 78548682.49 49920580.87 31934098.19 49953494.44 33708757.59 47014573.3 65438481.14 117530195.1 49046679.72 62258637.85 45874314.44 92374254.01 17528656.18 46534111.61 46343102.59 68729139.33 66597019.49 84015752.03 55144457.43 50323816.15 70675415.3 55422928.41 93094883.42 45135765.9 73312979.94 67942359.05 20498829.41 127520774.7 43936052.78 34952585.2 56993604.74 60323586.58 235269.337 157430.6045 51108418.64 57322776.83 66525014.22 113467102.4 99377767.06 46310639.79 18156084.31 59826594.06 111465506 38321558.5 70581265.93 144566184 111572469.8 40744314.33 33318803.36 50957154.02 102173999.7 108837904.6 59618508.66 66938867.84 127372760.9 135175261.8 110353270 62055044.96 48344662.74 143576108.8 93656580.9 55858167.28 115067851.9 244663079.8 218809111.8 93545539.49 43148295.44 39902735.22 87229542.22 56980844.56 68890149.93 41176744.45 60948856.75 30114113.9 60211375.41 127346701 66941295.6 134149826 29623176.67 108046583.2 81107749.83 72303021.05 29552077.6 46022591.54 97815818.44 105313991.9 58541396.56 72972332.08 41791443.25 62684627.78 61875037.65 79655587.24 30799436.39 84935432.69 73963830.69 61296.66727 83185672.87 65865617.06 61287767.99 162916917.1 122551865.2 55057858.55 150242547.9 114026007.8 43438014.01 62610327.98 76316362.65 67241544.25 785330.1232 234449.9803 318434.4277 211185.9325 315515.7752 5-oxo-6E,8Z-tetradecadienoic acid 114136.4838 7093153.646 7122078.758 7269284.956 8376533.846 6727524.525 7852275.018 20074487.38 4943417.169 4518002.455 6832712.411 10092054.84 9743849.786 5995497.013 7764579.406 6809652.077 7905845.632 9624516.719 2393693.946 5996316.747 23196797.04 8959631.175 12698976.35 11561799.58 10536211.89 4090363.028 1788840.632 6718155.159 7052825.413 5591816.2 8522971.594 8326752.821 4208093.261 7133149.165 3941805.859 10051327.49 5555045.51 4416447.581 3665540.633 8887750.467 9916467.119 10005450.71 7339967.559 10393300.3 4683893.884 11440598.3 9262185.311 4857522.912 6642383.701 3036834.215 13140805.29 5335641.64 9259530.72 5577134.504 3925360.045 10811128.34 7103676.993 9011657.541 8913092.053 16494830.1 8412940.603 10788456.84 9859824.988 12738454.4 9191722.953 5340470.344 9261347.367 10323766.45 8531787.428 7085035.228 5428840.882 7073037.229 3109025.464 10469616.32 6946937.852 5850517.045 5441448.427 11325549.4 9701366.779 8829234.85 6512384.429 14673953.35 10190485.19 2923744.755 7009847.007 6209911.189 3963589.203 9722841.809 13766631.96 4211932.7 6795378.006 19277012.48 3382160.876 9491956.783 7495061.741 152800.7195 103344.1246 7594978.371 5468056.084 11369110.59 10493029.84 10835311.93 14253060.62 5136035.863 9747325.664 13377271.72 10139450.27 6522122.007 15968368.51 11623210.57 13929745.69 15696424.84 5552445.099 6745494.441 13066100.05 5104627.83 3299232.722 8395863.998 14932870.47 7231224.135 16866175.49 7021850.94 17777033.9 9645431.034 6430375.63 12203382.94 7272746.062 14238096.39 12116484.47 20319700.49 11217164.47 12306171.48 4772746.033 5874433.646 13094640.73 9887803.386 9517043.45 5724748.34 14031074.93 22346844.2 12739763.85 17903641.91 19013340.8 11764294.95 3715062.393 4782818.329 5798838.891 7032241.955 8882445.451 5087695.384 6109208.74 14465120.78 11014052.44 13168963.78 2750464.804 10421846.31 8366304.188 24802826.04 55814.64478 27298591.03 6693996.791 33313268.37 12696483.91 14854427.74 5318994.088 6057274.278 15921817.12 8001592.618 8576342.868 4092026.346 10844866.17 265083.1051 155885.6267 303564.0198 140754.3257 206966.2206 5-sulfooxymethylfurfural 82471.77436 32493433.35 45328239.05 47905278.77 2825256.497 130641749.6 205425029.9 4466900.481 1749364.558 39876370.53 248065543.8 11513185.41 25176464.25 5339462.262 52883082.09 165827266.2 6235572.655 1957084.483 1021657.307 1507361.123 361202665.3 255541619.3 30361978.18 422271.2178 38119254.36 37883125.8 43641594.48 811247.3008 197493.6449 8262921.772 23246443.94 596560.7542 33985353.03 6819829.072 3952462.696 167690777.3 104847780.8 7904496.097 13319231.33 34325999.66 210619.4187 7702838.605 8163811.12 11465279 16643769.77 24171348.79 39613020.77 155392757.7 34592694.41 38213047.29 11848515.6 19604226.62 592718.7219 762085.1013 4721768.004 9041788.072 22959076.99 1640440.256 4053490.471 26186845.72 67474587 438965.8777 1436672.424 11697183.26 31318050.27 4401394.729 6718292.459 61067517.65 2882814.838 115090461.4 337247.2336 32710203.79 38739364.89 263989.8819 13863575.66 23085207.54 212788007.5 23262207.17 19195241.26 159277857.2 20667485.23 5430730.384 6314150.642 3512869.672 27192921.11 1644015.917 14178078.58 20796009.23 3718597.12 82411796.09 211051065.7 534320.0255 1307596.402 31974445.87 34074299.65 116639.3644 123567.9067 30435607.73 39768907.29 577158.2745 7982400.864 427940.6677 14049505.55 472190.6596 223329073.1 4926216.475 67924538.63 2036329.75 39446406.39 4888882.22 12663872.51 146735583.2 576834.8295 42746337.49 328759.1486 37385552.51 38588284.1 96837221.14 36157820.37 61980685.64 8688456.93 346170.0751 1640941.003 378658.4001 2487759.08 6398265.914 7006082.674 56479255.7 4607228.288 55834091.02 101518082.2 13605568.24 32255411.81 35575212.29 30820189.12 94241933.87 14736988.25 161875708.6 1353917.992 42750881.81 90677711.28 4658562.906 1284355.859 133012291.5 8189542.981 3379854.914 29951943.97 798062.4012 479665.6637 31031531.18 36722434.24 178104505.2 1156359.471 230932.3422 817009.6119 119120672.2 10095618 32358673.7 107774.4357 22062155.83 3076756.818 458100901.8 20342580.83 5702360.69 7334913.664 1379419.097 7044744.553 30608216.72 31185536.75 35661787.69 23123533.46 98790.23158 102151.7057 248162.0894 120944.9887 197408.3316 5(S)-HpEPE 103205.8217 964041.9504 53191349.72 73411057.86 926081.4576 155874.0607 310309.1426 170021.4044 253872.4045 217342.8919 212757.0032 192830.3712 367529.9913 150342.5984 444913.0419 379662.2465 722991.5149 149211.8396 284214.2525 537385.5522 170296.6197 397577.2682 7809103.153 2233426.994 7655880.849 55807421.17 78112818.06 238710.7271 150574.9566 589639.2693 382518.0279 714400.7598 2288483.173 174867.133 674644.5626 597863.7211 767322.6235 2145259.713 280344.9 444644.5737 575460.9112 383717.8963 456853.7264 982012.4193 419908.3758 236570.8929 423695.7352 403003.1769 58197547.68 77655743.09 232331.2968 435068.1452 757285.8738 4313730.326 758858.3432 410468.7519 473873.367 228364.3307 504745.6207 251317.1609 598532.1042 191870.7865 2986609.946 194866.0524 1634613.59 392842.7273 143308.2969 230015.1784 180274.4562 408456.4182 511535.1189 58489945.52 89213997.1 508753.3723 493711.2989 284597.4143 506704.6843 564223.6751 279349.9519 785052.9803 833565.8973 213017.5409 1195205.048 406910.9047 307934.7119 505278.1654 272137.921 510792.9318 554699.9718 511023.4932 597904.81 320238.4533 205580.2693 70934755.92 89082095.41 115581.1419 74308.51071 60759839.92 81613030.02 1224080.157 241546.273 424182.521 569961.6778 618269.4015 316544.4804 320026.3547 2467913.256 6811698.916 460235.0614 1373475.913 1373515.289 847825.2233 310113.3808 356386.1443 486145.5445 79337346.71 95096910.55 4741001.294 1648816.286 544493.3187 378866.2379 1886764.109 206872.0256 309400.5983 1160409.017 232052.634 231399.3438 300622.8028 2508071.833 618926.6101 954973.5635 610755.3728 81001202.25 99286557.78 412337.0591 418340.1829 463278.5894 535573.7075 825576.608 892431.2704 315669.2624 494660.6287 3709662.748 4870997.319 331319.532 457836.9705 453950.375 650269.6663 408377.3917 87965446.74 109476661.9 534528.9234 369229.9068 911367.1266 750467.3266 299294.5719 902051.4248 801062.9486 106058.3892 418738.8829 340656.4779 1516951.932 349154.4032 524081.5784 650353.1425 878557.4234 318507.8147 519303.9232 90470218.86 112732999.8 1909637.879 179483.6267 99025.65732 99096.33642 114965.6324 110796.2145 5alpha-androstane-3alpha-ol-17-one sulfate 189111.5174 196690223.8 247937969 145856259.3 71752479 76780593.32 21703033.88 12552404.79 49902288.98 69197742.39 109277732.2 157348627.7 174443107.7 212731659.8 227664549.7 170235428.1 44334485.33 10801184.15 165924130.4 96275294.38 152164616.9 22572845.88 124628683.5 166648719.1 147988833 284383221.3 157851495.8 68803833.33 198774785.9 200085618.7 67133278.8 72957235.83 27963335.38 52917513.79 223699124.8 241422532.5 150690187.7 242445307 398579790.2 148711521.4 137576358.7 133842674.7 412737816.4 402545708.6 142178284.6 355276147.1 170596962.5 131448634.2 300784963.9 134713050.6 309142918.5 161309957.4 448906635.1 78408772.41 183337763 373737701.6 425967596.9 136635731.5 264044996.3 53011258.89 478876137.4 238084013.2 184370435 57848841.74 23969502.22 37351417.53 189846388.9 122995242.3 79469631.89 73464520.42 151190454.9 308228970.3 187920684.5 605054841.5 192521020.3 23052020.13 85731789.65 190987556.6 527681452.1 45642637.75 17586197.01 162468562.5 89151529.19 53712884.69 56101163.92 112976727 80371535.42 36151690.78 191659766.6 99322243.54 229394005.7 87581502.43 65156062.99 319335068.7 170320361.8 148085.5826 110297.584 294345019.4 161403091.9 69814259.65 181055288.4 889415383.8 90983529.71 263330048.8 219518130.5 166267375.9 130004788.4 86405738.14 136032865.3 100889130.9 285303900.9 283104931.1 39177383.95 152782458.1 137675241.3 427683206.2 197022617.7 104146025.6 149183380.1 277824369.1 93012589.6 239655157.1 8056538.626 176502991.8 202991924.6 46331148.73 183663921.6 179957932.5 254557827.5 151828488.5 117940136 377513594.1 362996074.7 189758279.4 375522494.4 502343504.1 366065492.3 14678225.37 235390510.6 425904269 243552599.5 179431216.1 202690687.9 213782073.3 87064075.81 403558269.8 451488297.1 442582373.2 508407167.4 380138983.3 197604902.2 351468116 338589718.6 196092761.8 69211964.45 174308172.8 120492531.2 468909273.4 136034.7123 203308588.6 68862525.55 390251841.3 153610529.8 283617055.8 32168345.22 364939263.4 734048229.2 439902099.3 376026625.9 210934329.4 289528687.1 159662.7997 154867.8335 157809.8211 131365.5831 126450.9372 5alpha-androstane-3alpha,17beta-diol disulfate 868890.0406 18687366.65 9111911.992 9712795.369 1671628.945 1607070.507 935602.9255 1737296.211 943038.4659 1462297.141 7775347.65 2373165.961 5764717.357 17305315.38 5116548.208 3350018.932 760914.252 4049942.439 10646124.43 5084799.221 989128.4365 1652026.695 4316744.951 2397474.804 6452835.187 7977059.041 9571417.775 1056007.826 4217730.654 11395487.47 6717882.435 1296695.01 4362547.737 1383339.743 12187985.35 9324875.471 1883359.442 3449915.801 10752189.66 2126483.741 3954270.353 5317865.825 13685742.67 8055581.272 1270356.359 24581681.07 697135.5839 1434125.584 9297182.509 8935923.112 4923945.927 11760677.59 3427222.473 2830378.651 4304803.809 49609053.23 43845874.9 14700368.05 11863603.68 5109042.717 2553919.109 5763352.718 4573792.375 1644458.96 655512.4403 1419197.914 5765511.603 12169325.99 925627.3287 1621304.164 11456923.75 8771899.267 7884671.902 35480915.53 3965154.723 1391505.526 10708001.09 1027404.569 15545683.61 1046855.547 557425.0329 1296016.766 945040.1766 1469040.051 986354.3232 2140131.381 1102764.265 903006.5088 1842656.147 9118129.696 17688902.23 1011946.708 2248493.99 12894033.93 10123176.11 1607761.462 328469.2979 10268815.39 11636671.58 1418410.49 1503257.304 27756847.35 2468054.993 8298317.989 3105604.844 5307299.195 1718066.139 1918389.295 2584078.757 3730966.318 6585915.482 4763395.96 1989242.558 4091929.142 742841.682 12131314.7 14265980.39 1505604.198 3662117.886 8008027.917 1512010.263 9281777.105 393218.531 5996708.754 15683211.8 2024873.997 1032165.79 6565148.441 1877613.363 3788283.633 4120699.94 2203904.278 11130894.99 11968129.32 5830086.346 64920902.05 10558930.94 1475013.197 5994185.87 8745198.637 3384879.291 5324338.735 8205806.875 12404144.25 3318638.575 5410319.322 58038034.18 21440145.59 14513586.62 14903232.33 13545905.76 14257883.23 20077792.5 6079983.885 1599840.98 9191608.482 7102221.573 15124796.54 123960.1861 8272159.559 2621954.321 6845480.844 4937664.155 7663738.129 465862.7603 7777456.232 17641925.02 29077260.09 12920356.34 14008482.47 32204931.78 398742.9407 860213.0362 748113.0074 1327441.466 319558.5684 6-[(methoxythio)carbonyl]pyridine-2-carboxylic acid methyl ester 152438.9162 15975044.28 6868893.14 17424535.9 129314.9867 288955.7302 18130185.64 14327600.8 43511353.06 178075.212 218942.0602 146154.2534 178095.7978 316456.0865 18183514.36 30477984.55 322606.4697 17736854.92 272190.6263 23916978.12 171488.7563 73169178.13 10121218.94 848798.2969 23211006.38 7865354.326 19737527.4 161388.249 95743123.52 17166875.87 730962.3023 246765.643 1005398.986 174739.7899 3706695.246 168665.5175 16481013.38 213843.3499 5252885.632 8997168.303 10359793.81 24708482.8 419701.8044 17841297.81 312139.672 236331.9967 371146.1129 1480212.24 8668861.962 18284667.67 2274227.222 286213.7832 290881.8326 93220899.18 926978.0261 364604.9773 356781.1169 889088.7511 4361233.06 38465178.81 278671.9141 182380.2556 66615157.34 133068.5468 3437042.846 743556.8458 127014.6809 164197.022 5684741.159 163562.3102 100515438 11114979.43 21896199.69 27824709.44 236853.3251 210841.9854 130068.0268 176508.2812 219159.4038 317507.0661 609349.7114 1814623.564 1971704.668 229398.3549 129607.9845 3412532.758 16653101.76 160555.1969 1149440.828 210357.2233 298061.1086 290515.3454 1147900.32 7990576.302 19824659.92 119368.7515 88908.62064 7494070.936 19464512.39 32066737.93 129956.0315 215892.9675 1331832.995 17806460.5 45190194.5 1408704.376 123815684.1 19402444.35 171627.9869 20431030.5 255859.8751 1377350.32 39255970.2 11787264.56 2695312.004 12734701.92 23562901.24 297433.1096 20891531.94 225068.8541 762660.5324 144112.7247 9524768.221 1244403.953 382142.0713 31661523.91 779482.1097 189437.7882 8950672.665 10697461.14 9132761.744 258530.3803 10156957.25 21705257.26 226995.9806 254448.6156 25019306.37 10714008.97 17418852.5 35770444.3 38946800.2 62644717.53 11246235.01 302994.3665 4088181.392 8033543.162 5705647.146 166389.2105 1859302.191 10650760.97 25485889.55 214919.0393 853056.7978 152938320.5 1031005.407 199165.0302 22271209.46 242380.5057 99313.30346 154254.1011 23519206.84 230796.4722 2448128.322 7440670.033 168258.7641 240472.2443 257525.1249 66420161.68 10233216.86 23434452.8 19615549.38 128700.9088 124835.7848 127207.2607 105891.1027 101929.5074 7-oxo-11E-Tetradecenoic acid 65554.42476 2605812.334 3591488.864 3161095.658 5168469.013 7146988.681 4662073.085 5604828.791 4735588.856 5273936.699 2590159.543 11183761.11 5432922.369 1845888.804 9574457.384 3906288.534 6160410.789 3048993.492 4013743.34 4412092.61 5579286.323 4576681.806 6441786.438 9699005.372 7089207 1309779.924 3868088.743 6008195.811 7081871.957 5190332.568 3269600.903 2909976.818 4120402.277 4780367.497 3244545.797 4363403.609 4707466.084 6273394.595 10009621.42 8031898.99 4327214.08 3708080.756 6945609.72 7353013.932 2813490.766 4847272.097 4260566.593 3920766.105 1900665.804 3785722.113 4301354.179 3373621.294 6497309.031 3814359.161 3750995.315 5537514.984 5556841.003 9268501.394 3114517.761 2797543.359 5603552.848 15033477.5 4456231.832 9689002.236 4829061.503 7123574.703 5500611.503 6062328.956 4915978.554 3413576.56 4804107.809 3420949.16 3229518.229 4829303.441 4017521.975 3578530.218 8223806.199 1620136.442 6312204.553 8184712.058 7478311.761 7700881.025 4863269.616 1756252.68 2862847.397 8100719.301 7748047.446 9708162.195 7192248.36 2058356.64 10299091.32 4457190.016 4534648.665 3581261.747 3426006.833 93114.9769 121010.4119 3930151.79 3375409.326 3338551.004 10943806.34 14139141.98 9831700.836 3002182.584 4067708.887 4220960.023 3805097.225 3067152.972 18919756.83 10960616.27 7362352.383 8027087.431 5387046.584 9600681.933 6134981.501 4731742.238 1946168.527 6400740.536 10013656.09 9749614.474 5876583.716 9343719.379 13600569.21 4486884.222 4352548.955 5742262.386 5288666.972 14018026.06 4096607.786 10364780.14 5746651.014 9808295.036 4868171.997 1783930.822 6014417.991 1484264.683 4363319.103 6435358.745 7469991.575 7314734.494 17119226.75 4834063.585 7592657.573 7825937.813 4878366.992 4163407.75 6100972.246 7088050.39 9174442.193 4182844.945 3553975.924 4849309.086 8795877.073 5160284.938 7002815.446 4504399.618 7327571.525 11788416.93 68709.33766 16112432.54 7785838.451 10244464.07 6389948.185 7191307.317 3747990.038 10973191.28 14924896.31 9388445.888 4715179.311 5189269.201 4307552.831 141955.3563 147907.587 81484.82682 147981.1247 106503.8975 9-A1-PhytoP 56788.8379 151690.0423 1281654.088 3747040.731 150925.6408 150128.6258 163608.6596 174686.6295 159179.6387 161788.1301 161397.4163 154938.1949 162537.755 150268.2117 176019.6921 173324.0862 804077.0789 180220.8748 131424.8827 162462.2152 153774.4343 156568.436 160544.2349 139886.1992 172782.9371 2731604.899 2605452.993 149559.9907 149404.5254 152667.6829 176258.0272 166820.0388 178774.8602 141334.3725 326020.1806 160138.3337 163939.5459 141142.9463 155200.1208 147667.835 172000.3661 152896.7456 173857.0773 154360.2434 185533.5048 194467.5631 149024.8883 180323.3117 2756818.722 1952244.345 177691.3409 188132.0823 167834.9212 186358.3649 172969.1364 182878.2051 175567.5005 278024.06 228412.0402 189681.4757 194255.0881 158682.8238 166236.0551 173108.4436 160771.669 226282.4335 169322.185 197732.847 164323.7413 180680.0236 167826.156 3123655.045 4647550.583 176221.9769 157055.5355 200410.4298 166596.8389 185587.1031 200231.5668 210964.0236 172547.2746 164827.3317 199959.3077 239677.6822 219991.1284 219722.8291 152605.4712 207942.8447 209155.1433 199253.6972 1384349.12 243974.9936 160170.5079 2076952.313 2237586.295 61605.51678 57274.90344 1504224.075 3719190.828 180019.3405 203156.4557 188864.3805 238052.0178 164353.9482 152370.5263 167585.4363 200153.5304 179130.5996 167691.271 182303.8116 167974.0455 203333.9777 174853.8578 145531.0588 465905.361 3961180.7 2222838.453 200987.8651 224159.9243 184193.7735 202935.8675 162585.9201 170886.7963 184388.2419 226453.4259 227255.8907 189227.4678 208354.0876 215184.5142 196184.0925 195529.0641 153433.6694 1927361.288 5563650.241 237451.6227 328530.6257 274780.6812 224878.4354 222337.5414 256503.2575 191218.5762 236343.1761 256919.1923 238770.7974 162979.221 202532.8401 279947.0382 240924.5346 200365.8998 4559590.988 6181922.928 290218.8109 260671.6714 222763.0425 180156.1758 269879.7361 234808.9222 305748.991 145712.431 255528.203 266794.6907 281286.8289 300071.1567 234051.4864 234015.9766 256011.2912 230922.4974 245879.6815 4421795.527 6478370.334 321130.1707 75781.24099 52344.05943 63415.64844 51705.72111 58816.9943 9,12-hexadecadienoic acid 294168.1003 13087985.68 15063049.28 17985784.94 10038620.58 16163818.65 12274578.32 20788562.25 13568405.41 11641858.07 8019400.896 22280010.48 23607330.36 4098642.468 12711756.87 13524576.51 15969146.14 10291875.69 12264554.99 24526602.63 9409639.419 15230417.69 10440412.61 33787938.12 12794786.78 15124592.16 19900276.11 13083000.59 12780814.33 25517008.95 5787383.432 10492709.92 6720317.664 13933269.02 18789415.6 15137194.39 1688395.658 24708613.35 20157948.7 12345911.1 18611154.18 11297245.71 20244565.11 26539784.23 9089832.086 19857872.65 12643068.08 13358939.64 15843914.46 20196579.09 7661623.019 13341716.49 21266106.05 12149144.53 12602092.04 13871985.1 13316551.31 19078806.93 11283301.25 11405632.55 19430109.27 32558085.69 18585761.43 28521300.41 13386538.11 10385061.45 16251905.48 12819423.45 9526378.826 13062695.31 21677819.75 4951231.299 20903587.26 14185330.75 15366349.95 6017072.327 11910659.24 8807587.565 21948724.3 13890017.21 23919878.02 15917480.97 14929526.96 31175951.04 7555518.712 16699923.67 9383625.519 15917353.97 7086733.151 9614872.074 20559289.46 12416066.88 11807107.55 15338168.47 19499185.54 748886.0974 430867.9541 15900239.08 22092131.14 13283631.95 31550461.27 28141201 12340712.59 6946047.349 14037919.49 19116473.49 8886579.34 15809275.64 26339743.63 26000124.85 10801467.52 10433123.41 15250131.72 15997224.92 28346304.22 19430004.97 22848456.24 13220616.3 30469684.56 17416531.35 11444311.6 12243819.3 32911124.55 15647432.93 13055532.2 14451903.66 39398718.73 28767936.49 17047064.78 20699782.31 13620581.85 19093739.61 15415656.37 21799887.1 11353309.02 9423495.539 8265132.304 12651630.35 21226819.54 16048101.02 24276729.9 9650713.543 22312383.33 14759334.48 12846016.04 8324396.289 20388132.19 15795983.63 18845884.19 15171577.44 21829224.76 11396533.23 16835583.12 15609486.05 13368349.6 8726136.851 26628656.2 13322526.16 68260.28032 18137479.42 15703409.8 11690121.07 24817309.22 17392225.16 16288697.01 25793350.26 21382969.66 15378076.02 17882686.87 23392156.7 18099576.24 876437.969 398173.4812 420622.9006 308092.2858 724223.595 9(Z),11(E)-Conjugated linoleic acid 4413231.233 2067286577 2755282286 3301922910 1890430113 2739619421 2701707159 3052022944 2611230680 2365250383 1554390650 4289314407 3015127092 812343302 3175961719 2317995543 2281262275 1454435390 2641583165 3746666185 1796497643 2458053923 2010538088 4141063744 2591771096 2790397081 3409733765 3013263174 2607049021 3877867325 927558137.5 2134782504 1389348591 2262248400 2343599136 2405336437 1636913674 2895461864 4516712955 2335443663 2815015959 2051991628 3745257723 3878903715 1793618925 2567804970 2134187777 1789657889 2920793568 3335976924 1801134095 2719909299 3508471433 2143939524 2350635426 2117546852 2245903624 2844457091 2099418813 1600246762 3929557367 4762606901 3607212614 4666986133 2195779814 2746808583 3035079245 2312296424 1695232904 2452275456 4389452364 2871480682 3620008121 2518274457 2863720504 1067706670 2699570432 1374692825 2735476394 2803666511 4973789472 2343273434 2632365624 4131147756 1581560706 2748424461 2253276457 3276240095 2451798377 1452865494 3971818697 1627726669 2403800020 3116533410 3569451577 1625447.222 1061825.694 2926251031 3448878506 1997459554 4200308998 5296596820 2717461081 1962737501 2647724263 3763953572 1881975444 2108729151 5653629659 4010157666 1833763902 1826071627 3355000280 3742893741 6341917782 3359720174 3788830189 2345441713 4477945168 2573842052 1865162464 2738186289 3692510742 2387816484 2064067728 1832174748 5502457450 4436251112 2071065541 2801124009 2182192271 3471718339 3202260901 3756912833 1639314655 1254942790 1112883700 2756844082 3900865074 2344973629 3142796147 1237583121 3998293992 2847693286 1949197123 1313465006 2908276982 3005614329 4121006323 3292476051 3960949800 2139085631 4011637658 2536129065 2371779660 1336955109 4600635733 2086854880 1253428.2 2843077013 3443148541 3188275369 3685430527 3011437272 2542938217 5653412873 3072949099 3133943230 3342427291 3864349407 2853842471 1734044.441 1090968.661 1730654.325 1067542.391 72322.60864 9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid 36458.08744 290340.8382 6574190.543 10044617.78 259495.5632 384647.8605 481813.8175 603099.444 362327.5598 409311.1847 149628.6127 282331.0694 104348.247 177391.5392 462036.8863 272742.2685 516212.5787 212209.1851 104592.6635 585112.2144 362255.8579 142470.3763 103068.4193 370957.1831 110925.5914 7959690.47 11268216.3 259560.3908 922967.1376 697830.5633 129848.5109 166546.0611 404625.8765 155631.0632 569910.3138 325332.6369 250749.6504 401159.5574 884223.0255 401041.7305 138814.596 610569.6656 370140.2843 353976.041 166525.2063 271161.8794 372821.7482 137156.6505 7174865.022 11594867.52 201575.5959 163092.0009 493156.5187 298452.2205 296935.3217 597945.9685 598240.5335 648784.0471 242474.6643 121774.3501 598246.3341 426543.6765 619015.6924 179466.9376 269314.0764 355578.231 272338.3954 650140.9973 142312.0457 315469.0081 622663.3249 8098173.113 14051090.6 148089.9746 169432.0374 128662.2732 302266.8362 124801.2303 232838.5238 323792.0033 258919.4573 116245.489 549947.5728 153871.6096 277469.8896 455397.7837 300302.4761 133498.0376 817734.9925 282690.1812 1324780.346 183548.8671 201134.7887 9516026.168 14633432.92 39550.3659 31037.60091 7958739.945 11512774.84 115571.3182 160800.8558 264418.2895 495470.4638 163853.1625 188711.1074 338862.9079 174408.1935 229689.2186 975977.9304 469607.697 203498.9207 483837.6552 278229.6183 794797.3443 646771.779 10551164.46 13845808.41 172002.5026 374629.8571 149177.1221 544699.5529 222098.9482 515375.0155 202984.3756 211846.9509 280723.9376 480852.1439 256890.9163 138147.1452 181060.703 286476.4811 203329.3376 12624454.96 15466056.24 152442.493 357971.4374 230626.4534 166119.0269 341334.9127 327338.2847 191465.8585 196118.3825 365541.4783 178167.1782 296674.0335 175170.9607 428171.2391 154672.0813 581721.2462 12542682.32 18917969.4 614101.0096 295084.4892 463702.151 133339.6263 511932.2312 384866.2061 394271.0238 93546.49164 280074.4852 549983.0196 1066134.065 320731.3749 350430.0865 315971.107 225405.7145 607545.6747 322242.9791 12615149.42 17363982.04 542391.3661 42670.70427 33604.56679 40712.45938 33194.75748 37760.15148 Acesulfame 756850.7188 770026.9375 27770005.29 49906599.91 529235.1818 7557374.989 807961.8324 512226.9075 8027959.362 1752145.082 8863989.05 474396.7669 25958389.24 1427160.977 873370.004 40060579 235870.9966 2741648.663 3381653.93 621875.9573 660543.4389 31838745.15 508714.7382 55899242.59 486300.9627 27511701.12 44384353.68 24978596.6 352498.44 388773.9402 88589904.6 199761137.5 36417794.58 1178091.882 688993.1079 16584914.6 2147639.265 47985596.5 28716568.88 2219686.403 1540251.424 70917686.81 340105.6256 62241972.76 293003.3608 1448388.958 372725.1555 1257377.367 14332479.7 34617527.46 1000480.697 78673499.43 755868.859 16834198.37 76230075.18 2925471.808 312396.1474 595609.4261 580754.4152 295687.1837 997591.7325 640347.8641 783671.5797 473371.0303 14986448.9 1231027.571 371656.5922 69383440.7 367223.6321 3622038.473 469743.3545 17203954.46 36456636.55 1010807.636 322072.8158 117464423.8 24249113.08 77773183.55 480909.6043 6375396.268 396754.9773 1265506.095 1721438.546 13056948.46 648141.0429 4420079.496 9965751.423 716294.5413 1186540.169 19708718.55 3292601.607 2169329.257 546291.2534 26527567.17 36964253.89 1274474.934 287987.2345 33022609.5 56975537.71 191804.3594 126995.2244 189371.4973 534849.324 31390838.48 48096387.09 5398914.617 1119757.39 589793.3051 159595.3569 184988.6951 911577.7556 318630.3245 232323.7354 231863.6914 356508.5894 54078326.14 68071650.09 1320046.628 15470943.51 1903449.458 1325663.181 168346.2216 288470.336 1341853.23 427099.7407 1747667.527 158486.7125 1751000.893 203116.4085 179508.6825 275287.3342 1196578.316 42023993.94 62762323.62 272760.9272 670272.5859 209647.149 1277486.249 42372831.37 297271.4267 155792.334 1157371.424 221396.025 99991373.71 1117306.729 35772829.54 252437.4026 5669107.381 3945086.238 47697543.51 67306892.17 580960.6702 14540564.17 158733.8355 25176076.37 311906.7304 162421.708 2296266.921 120510.892 53650281.81 320095.1431 177467.385 46321607.39 84232129.01 151434.9262 17681869.45 1520338.708 15481546.69 31759204.06 54531410.33 1057578.052 316830.0235 206666.0162 202982.5752 395891.9729 249465.4297 Actinozine A 787283.8418 4422768.761 9711713.774 9613163.009 4284563.598 16291553.26 18984317.78 7027717.844 12426639.06 24814720.21 1493756.01 4007443.911 4986581.837 2819729.547 25731388.47 7136756.653 11775541.61 6159308.89 16483727.18 49035510.55 2330888.235 1388062.395 4694231.029 14040150.79 9575607.269 10741214.76 10327661 14451808.26 27974744.35 17866914.18 2121979.681 8272816.835 2865041.3 5368378.294 10713721.92 1214109.404 5321379.273 30308811.24 101722953.6 4321896.979 6633886.287 19730696.87 12857523.94 6409061.663 2262391.999 3691497 13377103.28 3822928.399 10783122.85 10197594.96 6928911.214 24854463.29 10279334.6 5690365.329 35070850.21 3785232.777 9331465.947 39379731.09 1482572.953 2104255.525 9088486.935 17951164.23 16035610.04 24383555.58 1775215.851 10961702.13 5027821.609 23660987.52 1469617.837 10782623.56 28364289.98 10462728.55 11353830.75 1705493.308 70415178.27 2003685.836 7952377.719 7785187.704 2825069.426 10410295.55 5238284.457 4201406.965 1453735.698 3474533.755 1883688.96 11899776.97 30161926.18 2226318.851 15165380.15 3119183.572 87988749.41 2617038.578 5288187.844 11348397.83 8661180.397 618813.6066 334076.3946 10109737.99 9183965.992 1097666.809 1673585.196 23367652.66 2250027.355 2798041.281 1577519.822 11923139.7 6974672.831 268265.853 8010338.194 4044861.023 2516271.633 1337749.391 4576965.126 26312723.42 1602373.55 8420631.022 9750495.78 7742034.914 14670572.71 6478091.85 5809172.996 3886240.047 9653819.139 3547915.06 6799490.144 7657176.729 4320604.338 6883406.713 1290952.848 13790848.35 1735017.602 4571508.097 7436670.71 11146372.13 726180.7009 8787467.827 547313.2648 33239782.68 2466670.662 5644018.652 1249570.84 915579.1862 16901470.2 13315234.22 719662.1305 3186380.989 7792498.938 12022872.3 36730151.3 3660983.52 7926579.631 1268435.637 12409174.86 11141901.09 4025175.265 1466010.005 829788.5378 1518676.814 121174.3193 4012262.439 2652450.733 12371156.45 4832834.896 894833.9631 1691638.173 13096380.42 7080330.208 2114191.293 30078084.1 21683248.28 2030859.513 183410.8575 138997.5803 113431.3333 302242.3989 186545.8201 Adrenic acid 469629.3855 29220954.35 31939747.72 41834908.58 35806106.99 37713946.05 37840688.14 53709666.28 43382865.24 56060312.35 21843554.93 75411580.43 43378709.87 19846693.06 74554952.74 22866862.23 25038217.92 17861080.07 67762042.4 76494853.64 21633418.88 61039089.4 31936766.08 72971888.28 42135941.12 22964928.51 42389868.39 69260759.61 78312026.97 74683282.54 17752753.04 32850589.79 28241708.04 44717845.92 33414537.15 31424139.64 26245133.37 55728335.8 75201706.25 32507476.31 49585549.81 21871227.81 98325776.71 35234107.43 33576339.11 50587095.07 30409841.16 41104059.58 20809352.66 34577967.53 24559622.03 54369883.25 75525869.9 57991252.85 76385871.5 50941381.75 43821606.84 86603458.92 30196217.09 41890542.22 53563449.63 87840110.35 50218559.19 94170324.99 9457528.517 65014006.16 37111365.41 37234143 24796550.18 42145040.51 102892921.9 23414278.76 39221148.43 38519505.54 70916573.28 19671684.05 64237651.19 21375840.45 54980488.22 54060179.69 100626169.2 41789134.23 29983788.37 72796593.34 23646348.28 63260142.09 59480941.94 49078877.78 38647453.22 27547229.85 154933733 28867941.96 37244749.3 28444775.58 40212803.53 920831.3489 711511.2348 25048426.34 34698027.9 43582788.25 63384782.05 62446694.87 27988007.8 43744517.85 47817793.36 42847085.75 30579989.97 25031651.98 106191208.6 85092156.16 31696529.22 28819684.5 75102765.76 120487917.8 80696981.41 38277029.73 39992928.62 29373611.2 40775522.18 90629112.53 23377518.18 50129577.94 49028988.77 38817671.28 47872866.94 24821034.63 99272306.28 64116020.76 33538870.64 28242740.32 35960336.79 41715522.14 36353487.11 49035751.6 31685272.15 26983720.57 29433029.62 57451140.63 93711471.12 21376509.97 81040220.61 15679449.7 40350804.3 59530985.69 32164432.44 25622414.63 58672347.4 61621931.99 72977141.54 35368539.32 51416942 23078787.89 89119118.16 34166899.26 36278329.08 27414167.63 72023817.88 34803227.56 76376.82481 64842427.85 93996347.29 38752914.95 48093803.68 47657009.78 41601187.57 105850367.8 62754612.4 80446970.32 39216626.01 54846391.03 42089645.23 755011.4367 851096.4319 834880.4613 928429.2722 863799.717 Alepric acid 115964.1653 13584160.99 12332319.74 13612178.69 15640285.58 27900287.82 19722111.23 37722938.35 19996319.9 22005878.33 10201383.07 43029046.7 29495198.47 4292720.465 33337078.94 12515037.03 11430451.27 15356049.39 19438655.06 33092701.94 21742938.57 19117106.67 24293623.97 49971105.06 30546326.5 15142175.23 14666440.23 43546630.67 35378279.46 30405806.47 8400937.941 17172954.47 12885907.55 23933926.4 22462905.79 37996581.58 15359833.34 30647918.7 37948056.4 33165123.41 19927053.78 18294345.28 56770373.48 28924076.13 14951782.17 14464994.37 20602459.65 18769827.27 14432637.2 13356638.28 22763884.45 10732778 25639468.72 20422537.08 18559667.54 23837939.66 21595481.16 24813617.79 15632574.48 13675132.32 28359308.04 63191807.17 26883887.36 57542196.49 20682373.4 22579870.3 19487392.69 14876868.66 22432827.66 15711501.29 24323684.16 15417777.16 14906420.58 22933975.56 17111975.2 12785586.55 29497309.37 10817762.05 30673859.07 28772468.46 35512195.71 24309969.2 14110142.52 9442206.592 13191750.29 36436572.97 22449965.69 44117745.77 38575777.91 12819182.42 47027232.2 21701564.15 16356344.11 18166732.04 15262288.43 174422.1482 110738.1286 17180523.52 14745356.09 13209440.26 73677422.85 35723463.41 29332120.46 11456681.13 18556706.53 25218594.98 18710727.65 19675140.96 48246841.87 57164176.05 24691063.52 19373666.28 29961923.37 37259646.25 22563762.39 20545672.42 16952941.38 24556235.8 34784313.49 55228074.37 18518631.19 33724546.48 71551026.96 33995865.92 12510395.1 27539821.02 43517500.48 113913752.6 31362091.55 26340514.97 33102842.45 36708200.63 17440761.13 17191585.13 26262784.42 8077997.131 12835914.01 26441044.95 52342838.27 30224453.99 99240258.4 23981647.71 29815915.65 25486668.96 16896650.55 14055848.42 21305052.49 32284477.89 30107863.95 19447762.51 17091665.3 20359706.38 28430809.55 19402549.13 26211384.81 16918052.92 37825691.36 26381434.82 56196.48011 78614967.96 48343586.8 23127539.49 34418087.06 43293953.78 18399165.62 37042736.61 45834748.68 27488940.54 19943785.81 17599992.13 19040857.42 332976.034 176059.2054 305640.7412 165747.3606 220973.4496 all-cis-4,7,10,13,16-Docosapentaenoic acid 606556.3297 46140475.92 60063043.11 90257789.5 55190930.51 73211454.65 74450776.54 105108540.1 64250044.59 76786181.46 40158664.57 102013141.3 89077171.89 22269335.61 91707698.76 28637836.79 43967161.86 37298290.56 80224061.67 104202851.4 50717334.63 93393982 66677321.54 126184970.1 92699622.56 72316494.99 99731431.86 79300958.72 98664085.5 100357525 27428042.21 54649282.71 36454435.6 82138279.02 47200912.54 53516769.94 29533883.83 83149395.83 101543586.2 51114205.09 73732394.77 38215901.74 141312805.2 60665190.87 45783240.69 81535198.31 52743174.4 66474659.36 64606959.52 82793108.77 38644204.34 62228167.43 90118865.18 77034396.86 75043091.71 91741205.16 68163209.14 116626631.1 52594534.71 78306458.74 76731086.9 138138646.2 60024591.09 149939181.6 79046985.38 81148225.96 67670379.8 63891923.02 43578563.19 63568514.01 101717368.7 66185905.27 97049944.53 60550743.27 98092715.14 26481496.55 90726786.23 44746111.26 94881343.64 82334262.51 130247810.7 94628728.4 57900410.18 175601657.5 32433117.8 124684008.3 83141017.62 74246470.5 59117010.2 40311668.25 204841586 53649998.43 51750471.95 59055731.44 74133857.77 1172018.355 847369.4125 85469099.85 111755152.5 85433174.21 125094089.4 127751737.7 56225728.81 47640359.11 92790643.01 53691583.36 48074622.96 47966463.75 177582215.4 156620712.3 54931145.5 63961544.96 86506787.25 158577600.4 141964190.8 110085006.6 129699581.8 52179121.41 108182587.9 130678890.9 55241303.46 66057647.72 133822595.3 71252433.42 70602583.71 55590117.96 151530739.4 143067780.5 72069323.13 108451681 61030561.26 100210518.2 97582063.33 120243080 62511597.62 41049770.26 55060905.77 80187808.11 139386806.9 66243289.61 187063848.4 41088738.76 120024106.1 93705526.36 45832490.34 41665216.37 89048434.38 85473332.49 117641247 102484180.9 138356431.1 54970293.37 120510137.2 47067699.8 50954858.51 45378763.13 116963433.7 63850696.4 84540.3368 123671882.7 122627835 96463444.68 74756650.94 76503981.07 62844832.16 172255100.2 119016319.4 106426158.3 94684370.43 131308588.9 70876766.58 956857.3034 942065.5963 924116.3869 1027664.132 996492.2705 Alliin 94479.89203 271307.4916 1403967.204 1485160.416 2018647.415 1664244.326 1187626.41 3184357.148 995192.3381 1630796.68 2268323.724 1367514.052 1497154.698 4186476.638 2598294.145 1780037.056 3639073.567 3013144.443 1250680.088 2543663.464 7639115.117 1741198.301 2067338.978 233909.4462 2418074.687 1352527.498 1773960.167 1473188.26 1505684.738 1752413.662 1908388.402 2140409.132 1439345.133 2347065.169 2085412.631 1473658.729 1403961.035 1746902.606 1546704.086 1471222.307 1489620.62 1898113.944 1428531.702 2452512.75 1203605.685 3476819.144 1647833.156 2068204.336 1391149.15 1592374.521 1435222.918 2168915.422 557712.0013 2569251.544 1738093.99 3872055.928 3382651.769 3015972.555 1793675.881 1768125.285 2231946.547 1522873.662 1924940.208 1510876.59 1225557.401 1322127.537 1101068.741 2781812.572 1152506.73 1387530.284 2105460.741 1194714.014 1592157.579 1538856.498 1755183.72 1502739.932 2068255.074 1767089.416 1080878.829 1940864.289 1120011.449 7513183.421 1441655.121 1488637.769 1557580.754 1080025.824 1263285.121 1558044.933 1295756.805 2231075.823 1294104.441 2460026.996 1233846.009 1304780.187 1268811.642 54802.64493 44227.20321 1047132.626 1267381.866 1590431.204 775156.6222 1502100.451 1725274.373 1151361.378 1900083.439 1562690.484 1648143.418 1784754.167 987336.6522 1745438.51 1934428.613 2102058.181 1315672.666 1005687.794 1957571.711 1598339.072 1497850.549 876158.4749 1677632.074 1631351.823 1384683.764 1139595.414 1656241.355 1256839.641 1528318.409 1501003.751 1469337.194 1301181.38 1494017.744 2074121.025 1297808.844 1486868.498 1405935.785 1503183.172 1203913.685 2168159.045 1855187.038 1928526.76 1735220.935 1316252.292 1097899.408 1594806.757 1537568.008 1126564.666 1476850.255 1149273.222 2191133.177 1680406.9 748277.0188 1396331.989 1538819.412 1807932.409 886647.9794 1484164.429 801426.2477 2295852.584 1159822.888 1968396.054 82034.61031 1099180.395 842331.2002 1914892.169 1400747.097 1530432.03 1390862.509 1259722.966 1361019.196 784613.4392 1461849.545 1201888.543 1301330.619 67668.79855 99139.12836 57693.28032 99915.73529 51806.61949 Allopurinol 254404.588 27203431.12 31056139.19 52207531.51 330272354.9 124393919.7 101164172 87731372.57 170688359.1 181328243 178627339.5 138287161.1 92728599.3 294445413.1 191174512.9 117800316.9 296514343.1 66031186.96 75815395.3 219420060.2 101857939.4 50756624.33 259250094.3 23387879.41 174891181.3 33662230.36 54283823.98 243413173.8 148741637.1 49946105.85 87522208.6 142484065.8 207880966.3 88088003.87 352703473.5 277511692 202761093.6 65708341.71 83652011.1 160090725.3 53302570.34 66485650.49 388686956.3 181596572.9 42760963.47 38666532.83 95554583.23 96183699.95 36007032.86 61257882 103486598.6 448815962.1 37888105.58 63064786.26 39037228.24 490995566.4 360037605.3 160054496.3 56495201.59 107450394 76356064.21 89781072.1 205145491.8 41870857.17 118343722 268826168.9 100661033.5 52911354.54 127176602.1 321462156 138819204.1 37466842.45 49162955.2 122218784.3 128167097 50969177.87 259204497.1 49012294.76 42895203.92 334291196.5 158293467.1 128495997.4 44347206.06 388524603.7 98494959.77 35040249.86 148555241.8 97437698.09 98761372.28 87367551.05 421569258.8 193553057.7 85764259.78 40229420.94 69933117.87 159251.4668 153876.4328 45824325.55 71647888.97 300785990.8 227595188.3 87995475.72 31311780.3 68628127.4 161819246.1 420875535.5 175910381.3 337035174.3 44489357.59 152974301.8 299336543.2 88785807.21 132158708.3 175948518.3 511059359.2 24379915.28 73775434.76 276645467.7 25395234.8 360966254.9 33205451.73 277240790.4 86239609.79 444248244 101655259.9 65061038.32 28253258.71 174078731.7 227939494.8 123748358.8 116109135.3 60640128.59 35128426.55 71161615.42 91137530.84 630964973.6 32592325.02 354798293.3 117757918.7 53116505.09 58670664.74 129564316.6 94619525.54 35054797.48 202060329.8 232654138.8 69802709.23 206127328.3 151176126.8 44949689.15 58416128.06 226733625.6 126445623.6 98988710.9 216936255.9 96981583.41 137129848.5 270456426.2 251790.0444 94416264.57 668662557.4 111257433.6 31633898.87 160334212.3 410424042.2 306325349.1 73247365.41 343568643.7 47073179.02 75396226.45 28763812.79 307870.1006 266950.4438 217347.4708 365747.9972 201019.4759 alpha-carboxydimethyloctylhydroxychroman 31860.37825 1212981.113 311758.2482 1271988.569 546734.8086 1017022.562 2843172.325 12188280.21 1049917.944 1998690.448 882479.4143 956903.5723 869268.015 671562.7816 1817665.636 3254150.039 3813146.485 3177570.248 1157403.231 2014316.991 1603606.291 1129651.298 1364172.843 1289105.796 2811120.335 1085973.195 1154202.477 991864.1862 3531563.073 1739034.587 1965207.942 2857481.578 1745165.202 416558.7803 2836632.559 658666.1145 1319945.056 1938805.418 2855905.229 1374277.01 4746498.729 5229525.366 908887.5002 7877173.154 2783839.976 1147198.407 403352.2392 2250947.106 417630.5167 1422168.465 1749040.631 712788.3402 2661035.347 1659401.08 2321504.258 1849950.961 1557597.972 1557549.765 3668662.192 715610.1006 335274.3582 1651660.173 2978818.859 1421157.86 967091.8387 900655.5449 473805.6213 336220.7537 705027.3392 796560.1318 3537963.231 670678.6559 1427411.738 4119029.093 3055851.47 458412.1969 967702.0404 2047528.812 1717088.914 548248.5499 1151947.327 2097756.571 916965.3487 139103.3115 1363125.763 906573.3297 5135774.298 378990.698 5131495.076 1212353.326 6195158.383 5207525.803 1129147.898 940641.3671 1639046.068 31243.99458 27447.77858 1035144.304 1783511.012 3812503.692 835619.3158 371265.6415 4353153.801 3309282.091 2505391.547 1039243.001 407185.6127 1479547.524 1248671.301 3783045.69 3917422.072 3296389.065 3000994.457 985728.1106 558724.8472 1628648.262 1460712.734 310694.6343 2071684.98 909705.1426 3406640.629 3180235.27 6763271.379 4649528.246 2346126.145 686690.7073 2445779.852 1345016.815 1492910.954 1190592.726 1346970.465 911792.1925 1587011.179 2113031.571 1626936.703 1636518.161 2126547.121 5464869.618 2544346.918 678296.3659 4588402.278 1067501.323 2892129.006 1577244.244 4646413.219 2600455.477 1944122.888 307114.0816 1632132.178 656418.1143 1885959.278 1546657.298 1372856.45 1837323.138 1785879.165 3964983.27 1814554.788 1714006.763 84568.08112 1131487.879 3033322.147 899082.5242 1559847.996 2888154.621 1819187.53 3257337.049 1446559.138 2595370.175 1311270.993 2319693.235 2157005.09 38575.25297 30379.26576 36804.95662 30008.78915 34136.0055 alpha-N-Phenylacetyl-L-glutamine 236606.7556 189709838.5 68928634.79 147147846.4 96463630.36 183909492.3 324508341.5 930183827.8 272174523.8 127397436.4 153104821.5 64259407.39 96141931.06 215790916.1 229548618.4 273682752.4 523344886.7 537967203.8 269337501 310154140.1 139738424.8 168841548.2 219991834.2 110498787.2 375985326.4 90393205.93 151289584.8 51237217.33 651935662.6 149493366 145040503.7 197329014.6 227021650.8 139524561.3 321486981.1 14379591.36 211267396.4 237267985 109900190.4 133841751.3 167627347.5 296450622.5 232468371.1 206644885.7 253362756.2 111813670.3 18837458.95 208437252.9 78260683.37 128913633.7 125206049.2 180380342.4 138800483.5 462814993.9 184757027.4 717540837.7 423037438.6 313137375.9 419495365.9 36945461.42 250339015.8 59985320.19 176781449.6 107422544.3 61074871.67 179197536.9 55586343.93 144503524.4 113928807.8 222149112.3 423175469.2 75654593.99 134506488.6 303872139.2 194889113.7 206504475.1 71034628.94 73548449.32 118626899.5 111251451.4 226798005.6 180151236.8 75429079.6 86115796.36 101466073.5 226036126.5 93565749.52 208970104.2 210582068.5 83566567.48 157781959.2 274010716.5 68733827.26 77784946.35 108989543.5 215397.4079 201367.4653 65741005.28 84660435.18 405235382.5 10270858.37 14067067.72 329480067.5 450717881.6 182234135.7 239810480.2 287199082.4 340968004.3 39576832.47 368171286.5 134817030.3 129198868.5 262656325.4 448977128.1 218652900.4 109051091.7 119315647.5 294901071.6 355271307.2 308252261.8 158353503.3 65481023.03 268715827.5 253879828.3 204432690.1 94338857.25 109046095.4 109338522.2 161092918.8 192150221.7 103163754.2 108208012 84551731.76 118961300 25029743.05 63242083.57 154702865.3 223300610.4 262893671.1 175757302.9 124102442 119233869.1 301844260.5 370505197.5 183919119 244080036.9 451901702 85799723.02 136690936.2 78266858.67 146744318.9 40786349.47 52323643.41 326352928.7 407169848.6 198066579.7 183308856.5 124247726.2 274150.6355 151426949.3 241395143 148632413.6 117836900.6 116619341.6 43436097.52 156852010.2 124113861.9 250280296.7 76683776.26 121470974.2 239133125 235726.33 314713.7746 225768.0049 344118.4224 310341.5517 Ambrettolic acid 1386991.57 8476458.528 10622454.23 12938646.45 5649074.401 8178745.362 5285558.366 20829264.9 5577336.819 5223210.563 4251379.558 7519168.357 8476964.368 2126905.588 6250718.08 5186906.932 8537468.385 9261018.17 4489215.865 6518446.121 3665380.095 8815834.803 6807076.928 12912867.34 7008625.699 12002599.23 14050569.02 6276674.757 4661518.339 4076549.462 3855373.718 4326719.907 3018331.763 7518809.862 2704080.249 4435766.007 4833718.791 8844503.853 9100454.613 7040815.149 10780270.3 5229525.296 6700773.978 9550337.068 4901556.312 7011554.403 5063073.817 3877254.033 11853970.01 13805046.42 3011857.596 5357916.698 6583377.453 7999935.06 5002448.607 6141130.527 8367326.626 7067590.164 4748656.023 7804912.657 7364657.662 7697906.726 2162274.993 8112611.115 3260827.648 5378875.629 5110828.551 7494049.232 4750112.565 7077001.178 2544705.708 11757085.04 14585697.05 5327876.234 4879414.851 3726945.868 3503710.693 5684271.398 7215221.852 7909637.592 10671002.06 5582083.049 6479442.981 7769134.504 2318742.388 6850121.214 6780254.975 7462648.26 6521994.252 5619700.449 9570654.755 6585368.219 5384193.673 8574631.303 14584050.4 309096.4834 1453265.515 13059111.14 15068293.1 5821551.626 5808558.203 6879731.406 6447009.464 3319008.639 5415726.452 7330121.079 1781890.385 6353511.64 17237044.36 8914872.09 5902132.813 6528108.28 4162376.789 9647369.975 10815684.73 14241030.86 17425599.82 11557330.51 6601533.172 7730477.842 6845884.053 6162689.147 11753555.23 6498281.228 6565259.307 14489990.36 19495339.89 13754219.16 6030256.842 6591305.757 5303347.8 8739156.36 14112288.84 17271501.96 5077232.85 10939014.11 5797718.132 2981236.508 7009350.17 7884723.78 8467990.997 3854924.255 10930229.12 7431142.086 6647421.027 972690.8751 7691675.731 7538482.831 9186902.479 14559997.33 18246732.64 832340.5311 7587840.425 5418213.445 7883716.567 5190354.742 9547576.198 10671687.47 191100.815 7729257.346 4905044.096 7525696.893 4924963.558 6796514.164 4412141.467 10399285.89 13735679.25 6701432.094 13152801.53 17763965.25 10110422.57 634989.0874 650268.1185 958462.2147 577728.8118 1227149.229 AminoDHQ 108508.2492 711796.2008 586525.692 722790.5711 589683.0827 662255.5573 596434.1035 1224823.016 233568.1304 904121.5722 828280.6318 581944.188 525208.8961 924540.5725 999671.5184 462881.9786 1948933.856 1106284.04 376463.1181 819430.1566 9218649.366 584335.9399 560864.9539 940396.9477 656294.9531 579126.6662 607644.7896 457200.5813 637888.4727 567256.7275 1221909.652 972415.806 558850.4778 714655.3599 676169.2039 403561.4853 613970.153 763896.5084 728542.0114 515062.0873 992896.0093 555185.2399 486634.5151 471226.4523 650633.032 1002682.137 685363.1205 1109588.607 604064.7962 852538.4009 497601.4554 2171712.618 563432.3286 922645.7536 743251.1373 1464735.222 1654002.587 1686297.513 426775.2671 1152548.898 1003982.45 555088.8451 1069593.996 857669.0691 718344.6925 896360.1338 586457.8929 1269706.54 577599.095 933837.8631 1078636.532 928265.649 1185546.234 333584.4024 863006.9524 1271463.774 795284.4388 1198015.325 815530.5851 733294.7237 1239467.119 6593214.804 1013247.338 1272098.43 1515188.211 586412.4848 917177.1684 1099722.38 751226.359 747145.2254 1048281.842 1094064.845 554646.4191 1001455.657 1266083.131 222415.6897 37612.83775 818164.3774 982449.7531 975798.4714 465590.0504 776889.4633 901022.9623 947223.1945 511713.0172 556895.301 1759194.167 752089.1659 525798.1328 974563.2904 757238.0639 757034.3199 860738.411 951178.856 1042792.109 960035.924 1052746.002 1388183.165 1002930.326 903657.3114 1023056.593 1021824.131 753211.0377 706410.912 1259176.002 757036.5092 575454.0887 1239385.084 666655.2299 973357.3401 626638.8256 234017.3248 1013368.474 1221549.871 554145.9361 2360167.173 808469.3393 1845589.785 677136.7726 1057181.237 836277.7486 379375.3936 1291115.208 485672.273 926133.4279 909230.749 1980726.533 1450665.422 981372.3759 1005797.966 1259814.711 1070201.357 865166.6726 1201185.833 1057621.248 841371.5151 1022248.252 1241838.037 193583.9896 844302.7518 1829587.219 918735.6179 809629.3141 929870.4239 1039604.835 667489.8732 888771.6676 738076.6377 1067593.107 1447941.808 1863100.478 39101.28405 47924.76307 90619.70317 33820.35559 50523.27741 Anhydroecgonine Methyl Ester 59741.0669 3549213.317 2480385.925 3659565.141 5712866.13 1805775.018 836090.5009 8521513.926 1431292.644 1076613.091 1506867.724 1810756.586 7498257.76 779377.5981 1319430.573 2569674.334 3327792.463 10179560.83 649938.1713 5030985.905 639219.5169 16479958.11 8302105.588 5471254.516 11830572.44 2716157.556 3743894.183 1158694.642 1016863.772 1914821.596 2186512.533 2223281.73 4198305.119 2887663.628 6304629.012 1560413.272 4173991.467 3400755.049 3427352.984 6681092.693 3196865.493 6692889.162 3182406.908 3121877.803 3002905.318 1789754.746 1110989.803 4321818.827 2283605.533 4005095.458 3166422.939 1751994.82 3874391.553 6819189.518 837997.3331 3666000.536 2023337.258 3126952.761 8068165.614 2053611.779 3766250.913 2150068.386 6926728.185 1659044.736 8460486.857 1095407.519 1655502.705 2137219.797 3765005.384 5113042.434 2737574.593 2530428.944 4067490.255 7087405.992 1866522.653 3916996.816 4509051.253 9352218.926 1927123.29 3523085.829 4534644.689 1080033.503 7271128.768 2524156.348 2184896.883 4854833.983 4814033.442 4039177.346 7098580.994 3472009.031 2108580.341 8013200.066 3184093.235 3010564.431 4309033.127 87569.07265 87804.86228 2897014.91 4144310.326 9770493.289 1221723.743 1191224.898 4131734.544 3678198.026 6683239.382 1004131.114 7724293.565 9382369.634 5502993.938 6271098.182 3994845.553 4250132.516 2440452.302 880114.3617 25229757.65 1497542.882 2561693.105 5500609.006 11261125.05 2668870.345 6062052.862 6059550.78 4316449.645 3165256.104 4645236.437 2635737.366 4516582.558 2706700.252 11930952.73 521572.9763 5551672.492 2332759.038 3080023.706 3994982.425 2098499.83 3894001.343 2597060.473 4394190.177 9732447.837 4246214.56 4523705.093 2358191.475 7856788.561 3240968.324 3231837.328 1204187.286 5757907.779 6197189.574 5064292.638 3479045.715 5242565.098 2131257.387 6285948.191 3471333.357 5542658.254 7554406.196 2124008.399 4736667.444 61158.13869 767647.3861 5001460.813 4093493.286 1469712.507 5682298.519 3993642.952 3987097.83 5576138.876 2797106.255 3333498.367 5235875.264 5599573.571 126354.3743 135054.4921 72529.59363 83616.1362 114840.253 Anisole 83875.81443 30300062.42 18349498.09 25994622.2 18969514.34 34477174.44 60898980.89 127639839.7 27889128.24 32455083.27 34113099.07 2816799.07 16071088.45 66216890.62 28509050.85 64306516.56 59032040.79 91240067.26 40763727 53089019.19 15268671.97 34454991.46 44783412.77 23822964.14 55666787.29 18526647.48 38393813.14 2640103.808 99293343.3 50042517.53 29000442.76 58096683.3 46057394 2541974.532 48563958.87 3383165.634 56258815.74 21124202.19 18554949.2 43852795.33 49941407.91 69800295.25 20723445.23 57411807.36 57490014.85 19120016.44 718499.4149 44206533.73 21139912.49 27508109.09 25543127.51 31134818.79 29755161.04 52748208.65 19450543.92 31853658.68 11430503.26 57846822.82 46725559.62 3075915.877 10342692.83 11229908.64 30311462.14 5849901.38 11379385.58 15587762.43 4939369.514 7970680.881 25298556.24 18168971.75 86695929.49 30319666.07 30671823.91 65635674.01 36039598.35 24290213.55 3278616.971 26094477.86 4875395.401 343277.2072 48149851.1 28424333.78 26944211.14 5573415.245 4792017.064 31795840.07 19490765.35 13645128.04 23729850.62 7097590.893 25955919.66 70596267.68 12000637.44 20496366.79 27828900.62 117314.3238 150969.2125 18076861.72 26472049.34 87293987.51 220911.0828 233415.7027 45682901.96 43696328.27 61539551.32 53314899.09 32530064.41 80348636.89 7764550.22 60606075.23 33779444.37 16659805.67 55622460.56 63054632.82 49421900.29 23305282.59 29478956.5 22590518.73 59895375.52 38708193.53 54591543.74 8866800.153 40589864.85 47560957.33 39469685.9 33532340.52 27487181.68 25881348.78 48617685.5 26497736.62 36980920.54 18534576.35 21656523.72 29443698.28 7786379.511 6987239.958 48615344.55 46684468.42 49415589.69 44452795.71 28279063.64 25313281.72 72071988 47739057.49 41487281.87 60399549.49 39356928.54 4438186.073 39392932.18 21791705.32 30858473.94 15354043.31 10791065.1 41979276.47 76232729.9 32769475.37 53598219.24 30712553.97 122163.9723 2803472.775 55274641.19 25334448.07 30521398.06 18930503.85 22636086.46 39593316.76 33517057.76 60554685.3 22127179.42 31260888.28 28311122.05 120697.0634 134967.9555 286812.931 147764.6598 95126.46993 Ascorbic acid-2-sulfate 34564.38442 2596284.453 3960300.258 4547039.679 4750972.324 2274338.699 5109981.282 8864394.379 5613022.319 3404688.238 6134228.838 1971965.12 2168078.382 5146730.055 5690431.091 2984168.455 9711535.825 8762741.736 3278044.713 3783487.28 3065497.339 2543159.843 4073120.555 2872302.126 4607685.897 3311040.119 4010366.604 2231354.34 1192556.99 3910729.602 1647569.572 8673690.988 3350132.754 4936806.095 1860438.113 1522400.337 2026323.537 4184203.591 1568025.807 1555407.804 3796567.545 4374276.67 2361859.71 3078845.242 2669790.837 4241475.235 2542700.343 2538485.015 2292504.599 2743233.157 1037437.749 2840260.168 1821227.826 6548022.506 3804174.92 4650723.222 4734608.97 5259468.17 2251288.74 1498147.369 3404490.225 1069903.013 1720480.451 2216747.11 2188497.478 2317128.018 2043278.387 5137932.934 1038518.358 3845498.679 1883381.819 2835615.216 3025643.44 967164.9177 2015596.217 1946875.519 2190241.354 1651960.911 1678575.025 5267246.523 2082448.623 2327545.48 3059341.563 4281511.941 1870287.895 1376764.399 2650646.639 2161472.033 1468798.513 2812780.088 1590405.629 2904507.241 3119415.891 3401044.865 3146690.35 32443.17841 38949.13191 2862106.039 2967052.992 2999040.742 1562123.528 1914698.376 3092266.295 2212866.108 2426867.414 1662830.61 3364660.811 2239128.168 3258631.334 2154738.456 1485435.53 2723663.356 3051393.396 3323394.344 2199995.794 2551690.035 2545293.877 2246080.697 3750969.984 3013499.912 1568889.064 1622848.793 2010492.714 1874948.325 1384807.819 4435569.513 2249727.834 1140261.915 2140768.896 2684213.14 1573187.491 1671322.038 3342483.36 3339447.149 2566759.819 2867534.785 1159296.705 2831012.699 1452783.533 2025680.474 1594984.669 3097587.028 4550831.095 2930063.742 2331374.644 1930374.048 3235407.141 3512529.843 2052724.042 3286142.447 3515083.8 3294977.074 462972.9081 1247229.746 3309543.789 1907006.446 848825.0204 655620.7105 28440.39677 1054469.787 3840304.769 1941743.969 1088321.757 598587.5824 2246304.367 2633869.243 907526.7166 821159.2545 1838627.623 3156176.592 1322611.187 45322.09488 35449.49481 32500.13099 31672.23983 30652.56134 Benzocaine 195797.4365 510138540.4 557927003.3 556978273.8 587731318.8 577529664.8 369195614.5 677042238.6 433478047.9 443037479.7 649958665.4 545577162.1 560838912.9 757327942.6 459011088.2 702151403.1 583012573.1 767036787 304665857.4 551425998.2 607973365.4 553455744.6 620691921.5 729667700.4 552895839.3 575915239 609410410.5 465088524.1 449709700.3 561031654.2 931806367 556129825.6 604633441.3 616830741 677090659.5 609169294.8 533521282.1 592752215.3 580028839.7 567013887.4 538926342.7 445018969.4 492440983.7 714637982.3 542250629.5 741476632.8 599293636.9 637959458.2 578854199.2 584381880 686875223.1 453091618 505288314.5 582280366.8 467640263.3 742521402.8 798845886.3 698135922.2 566492686.6 695907342.9 672355833.3 579163618.6 811731476 494008099.9 666878846.2 441684644.6 568772785.1 648041046.7 635916319.5 617624477.3 528130346 624763400 670254038.9 670521419.6 531241142.6 504230705.3 778958907.7 652803799.6 641727733 575117094.3 342595154.7 602008876.6 652510294.4 1032166618 676096728 363660207.9 528304668.2 549818399.7 625012866.8 572430139.4 461953074.3 666078698.9 495578135.4 656681002.5 568890572.5 4820750.19 139008.6904 596832572.1 598171758.5 758548575 567968669.5 571021751.3 695611017.9 637947762.6 660674695.7 551149134.7 582672422.2 520077592.5 540545447.9 715370462.3 807599189.9 714340541.3 540772433.7 433833905.1 637001471.4 799847057.5 623745551 711047554.4 669039624 592815866.6 593737735.2 683492459.7 754183578.2 532814003.5 664680175.4 612463327.6 588743540.7 612066705.9 630602475.2 688270481.6 614387882.9 755783804.1 684055560.7 640450017.9 630356623.5 800938399 687885275.9 579489965.8 634467718.8 706598274.9 568734159 715622155.9 688547556.6 504781976.4 920017167.2 617306872.1 602768080.1 657161896.2 643016655 707177618.9 720026341.6 838085524.4 638791924.1 652109571.5 722831964.7 591622113.9 638865341.9 773977942.9 191470.5591 553213121 586793518.9 703227806 652464508.4 666255781.7 582574959.8 610069811 609452167 516374712.7 757159293.3 724222828.3 641555429.6 188081.2093 144785.7618 4260647.611 264835.6884 158808.9042 Beta-Alanine 540790.9925 269790700 440015240.2 411659968.9 275464704.9 329031489.2 222156029 399479200.7 243129894.8 317483137.8 379281964.7 335562232.9 388308991.4 279396110.5 309574794.7 319251459.4 518589215.3 389356556.4 248320561.4 390120157.7 335024737.2 328163637.3 304304476.9 335089156.4 263958464.1 424421998.5 410297577.4 296211067.6 229361346.9 325619526.9 529033695.8 330522357.5 340905301 311786992.5 274947256.5 378726897 344138196.4 241520828.4 235315934.7 306988355.5 243554433.1 227389503 298306365.4 303052503.6 288588917.2 417094496.4 259001931.8 619792362 411502507.2 387591924.6 283644825 253078144.3 274715471 284776505.5 263527584.8 431111859 403041659.6 443469007 273747279.8 391416382.9 358138894.8 328229660.1 331179241.1 320607219.5 282791138.3 322612525.1 262824476.1 508149807.4 258683008.8 259290481.2 262212774 442099157.1 446337310.4 301935566.3 261023032.7 351213387.9 370102614.6 434120957.5 276658655 298951033.1 242023186.4 285992091.6 390840057.5 508374556.1 483939872.7 238081921 232295981.1 402915704.2 313159493.9 456310991.9 232558271.4 286900439.1 232444295.6 449879494 366301568.2 2569329.888 397482.0923 408551536.9 392117199 401055389.5 286172142.8 361518205.8 367715462 298523169.8 281802922.9 207637380.1 367002943.8 288001531.4 262379273.9 295770935.8 331164452 352708628.3 300200068.1 258487341.3 377909551.1 478729210.3 402712632.1 243060486.9 265678417.8 339635783.3 276469997.3 321709430.9 294830853.7 224326294.7 418800655 273700847.4 287539211.3 336293536.5 278038674.5 271284873 279110940.9 206842234.5 462822254.9 425831187.9 303132499.7 274367959.6 466909088.1 268503686.9 247123251.2 328580108.3 384424408.8 189904752.7 361787095 298256599.7 471764479.7 309647216.1 313154347.5 281542914.6 273637046.4 458410907 459172173.2 505112477 404712267.5 347691235.6 419495517.3 323054207.3 309820062.2 324217718.1 1110410.311 436554167.8 486612684.7 240942875 305679881.4 281992206.2 328403027.1 218579671.1 278541681.5 318195132.4 506294060.9 486497374.5 380564539.8 221428.8333 103162.6362 2693345.857 117635.2813 371520.0667 bisphenol F 57334.91617 2332992.252 124280.4863 7085394.147 88725.38535 103545.0569 107524.1695 95226.0114 98252.53293 88160.44803 15281110.75 96599.52132 111260.55 86292.3993 82781.12058 90769.10283 100086.8586 99119.43244 119582.0712 212614.6942 87399.60471 107164.456 78811.41655 104753.6243 114052.7636 140268.2355 8602652.149 128946.2071 81904.57574 93189.96569 96500.92997 81718.6716 85297.25995 85525.88441 93682.55411 92072.87012 113863.9579 104669.2626 106000.1691 96540.39512 111634.3341 80822.43043 98114.88119 95646.54718 91526.04441 120805.6195 107594.2132 154466.8837 131760.3111 7598485.4 92965.01799 143710.6332 118621.4895 80652.2026 107386.6337 112974.1154 132455.0038 151699.3752 113346.2565 17647344.9 124684.2084 103622.6784 96421.30573 91162.33651 85917.03672 101081.3803 95197.78786 113789.9807 87741.60063 882663.784 103175.2032 144458.1827 9373366.541 136259.8729 88368.19499 91104.54972 91711.4834 168433.0775 108180.1166 96325.19551 96472.11124 101895.925 114184.8745 197161.0476 131862.9522 89674.71416 180777.5867 119526.5909 179835.7092 93211.36698 119486.6923 152307.1267 92783.51664 136713.5624 8792776.731 76779.00903 49362.15132 128436.7936 8264843.262 139468.2714 89898.06616 101421.1882 94674.73133 85868.64958 107169.1725 114101.0461 126802.4631 110006.8856 118076.9838 174505721.4 168211.339 100611.6091 130183.6001 114274.3349 239876.6349 166783.6827 10015644.14 181199.3953 136981.6182 122262.6542 134439.6358 96148.97432 137422.324 113150.6482 124369.6255 114583.4384 153303.7625 126809.9903 138960.9159 145089.584 1220135.684 142061.3728 156568.6021 9818861.567 220275.4714 161277.6396 137006.8621 130577.7899 115725.4727 131746.5221 158076.2534 131500.8388 154500.4921 142330.6845 53202609.56 109158.3149 166911.6582 200602.0633 164440.8834 154000.178 10770415.26 162425.9734 175909.8856 137230.9672 192866.9447 198817.3872 166825.1064 190100.3219 70453.17163 191912.7845 144461.7779 185390.2975 231938.6073 174827.5988 128549.029 163955.8156 204869.8861 156954.1023 172940.273 10961789.42 3879184.518 119228.5763 65781.42173 52508.99089 63654.516 73600.44568 Bufexamac 23699.90294 624197.3489 751754.1067 756522.0893 272406.0214 1113042.428 904996.3904 1372045.451 394632.4331 736425.1144 694293.4301 1667915.673 764966.4493 1070170.372 1038157.605 1194665.125 717389.2351 1303114.178 1100954.532 1094916.667 708318.2076 1911239.245 485617.8715 588297.3872 316406.9011 883445.1329 652116.5554 1082290.977 352297.4436 1146084.573 952481.2707 1238674.356 1154945.32 1311504.575 792235.0643 2051923.868 965733.1588 445749.0858 357304.2682 1542634.965 792981.2618 1472409.403 898256.3504 1582219.618 1188869.155 1003194.813 642745.2493 470488.259 733588.8157 883435.6332 412414.7324 532399.572 553649.6129 647234.0808 311399.7901 1988705.256 1418022.506 1624934 836103.6493 1388885.642 1234590.676 744841.5856 1229953.218 1000047.238 865243.9305 579942.8219 943993.5243 2206453.925 793216.5067 1029934.367 607060.5422 767724.434 939474.8025 1914567.071 470211.7664 1037536.046 1896234.731 1314296.582 1113213.938 141791.2164 510138.3931 411041.893 1861081.343 800996.2659 761417.9885 766044.3428 524015.8865 900380.2859 879385.4813 648942.1359 790799.5554 626143.9945 657662.0091 717954.4839 790588.5176 23486.02464 20632.41954 779016.0938 879703.0014 1399541.61 373843.244 1116006.103 1757089.535 512859.1965 1636711.22 607639.0202 645376.0134 800227.9287 853615.5654 1009752.554 775595.5844 1062099.028 954526.6991 512869.1184 493410.247 973600.0066 921733.203 782366.0793 787646.0689 675058.4247 2110018.674 961942.4175 1206959.505 545935.5543 717999.7547 2431498.226 821130.2678 1083933.562 420333.1161 370853.2336 974408.0113 1329012.937 752876.8163 807236.5581 424218.661 592964.8283 1036423.116 674436.7099 511939.5579 1746917.648 848917.9916 395505.7569 859797.5765 427013.296 718312.7688 286146.4935 627351.6095 1515949.899 640365.6711 718853.9427 921256.9792 833780.8977 910926.7382 1123229.153 484629.3315 1218612.807 1131285.233 1218640.788 63569.59358 326045.9409 1216218.091 893741.5885 308658.002 518691.401 1446278.477 1088112.526 891594.0185 1799420.35 980434.9798 811518.4607 540177.0562 28996.91138 22836.01037 27666.18449 22557.52412 25659.94128 Butylbutyrate 3279647.758 140989641.7 38289487.64 39301985.38 12308744.82 10945616.36 15801720.6 27784958.35 10245745.81 16436511.78 7699532.299 10821139.99 16299394.21 7654656.548 16257017.03 8865373.277 7584773.012 9635043.601 7143984.423 1350708.11 15048440.54 12109017.01 10668383.92 13005425.7 15337631.97 41803685.89 44304425.56 35115388.72 9485414.966 10576580.32 12894580.64 8799736.891 8244482.832 15477392.76 10622419.53 9043436.888 20639996.66 14198264.36 11566383.27 18114465.98 13443098.46 14737201.63 10234441.72 11137360.08 9213147.913 13532482.18 8552831.637 12085948.66 46783390.31 44148280.99 11999458.8 8483492.482 9871858.757 13277996.86 9714995.191 11800160.07 12028788.7 12032903.26 9097120.972 10775182.87 19125604.9 17824064.16 19077319.99 23085826.41 12121250.4 18403180.38 12228544.74 13373090.34 16424121.8 13915109.28 13809847.87 46478678.4 57626044.89 11407699.89 11859872.28 14726906.25 14381388.01 22991062.78 14312574.61 12867670.28 27855262.45 13029004.33 26202946.29 680723579.6 20429744.83 22115039.66 11572874.39 20153000.8 16013001.39 8694863.334 21480437.87 13608433.18 9323498.469 50414687.21 52091886.33 8292481.019 7603956.746 45289929.71 49568562.28 12189269.5 15973000.14 13771420.19 10653048.48 10741200.14 13723196.42 14348113.06 16177032.74 12614508.4 19588408.83 13597465.45 12409231.37 13851910.76 19391406.44 14790276.76 16105066.53 58620120.41 53368704.11 46618518.73 23341808.07 17395605.96 20791884.47 17784227.09 23295399.3 22290940.7 13141031.61 24336027.82 17711515 36092315.61 18330866.48 13922911.87 17023853.04 14821830.01 56704306.45 55817095.61 11657499.1 21731607.01 10373612.81 15663707.27 21836730.74 18943735.38 32261923.33 11809602.7 31350596.14 31044981.76 13928066.38 15082192.06 14299721.41 109326043.4 17496508.21 60437860.71 61558658.9 11766319.67 14271122.92 15334606.68 23300173.91 11619676.97 23734526.76 20185471.78 6003907.49 34053227.73 28543255.92 16954556.88 20842059.52 30458132.59 12422569.62 20994161.14 27481934.5 13791128.94 65222949.17 63897693.36 219076447.3 6267295.963 5896872.284 6701259.927 5655626.52 5869083.97 carbapenem MM22383 111109.293 3176320.497 484873.5584 838394.192 157357.6454 11765355.16 160532.9651 17544042.14 158038.5665 172161.8536 219960.0773 161608.0896 332255.3523 148721.1501 248644.7762 166034.1248 226506.9018 167411.8869 159967.3192 164142.6551 237862.2378 147036.1721 158701.3079 160208.6533 199779.0466 547972.855 794944.6515 154764.1065 150878.6364 339816.8109 145052.9569 159432.4057 191341.4479 1773889.188 157273.6926 152940.0118 143876.5531 165632.9793 176674.8805 161285.5498 150911.4066 169112.2284 172518.8836 159588.5192 144273.2883 155206.2053 149857.5566 155301.2704 451072.1585 661462.7195 166166.7356 172176.4493 178680.9969 154588.9813 155751.9547 178252.2164 180494.2636 225468.1378 147854.4254 549609.1214 166286.1378 192516.7521 154392.454 135226.9615 171207.5828 151801.9847 163644.6481 170167.3029 161153.4844 2355706.232 173170.853 329486.3113 728231.4784 144510.1266 549614.5635 13623694.22 161775.6948 18981624.58 151204.2047 169004.7947 155567.0917 167695.7735 183623.918 8730254.819 196119.2703 276493.5741 158685.1421 18838771.53 154242.6355 317474.5985 307329.4537 7123498.761 140960.5566 474522.7092 605898.2509 114347.6591 107675.5878 314101.5301 570156.5703 187713.6106 1708548.759 167409.104 158813.354 173833.0527 153547.7694 164916.9739 143407.0448 164761.163 163122.2254 161890.7624 181275.1018 976747.069 148572.0307 270027.5682 24542269.64 496125.0645 658632.1708 228421.8055 164844.9081 152158.921 11959446.69 931467.5209 217766.5739 177672.9952 179378.626 194568.8319 159959.3252 158227.8472 162505.6084 234544.0275 267232.0252 222311.193 300984.5992 679719.617 240229.8563 189156.9059 171765.3683 195498.0297 162714.6952 194260.6843 155080.5989 218594.8335 286078.3008 157013.1669 4050034.127 370684.4935 260291.5996 4229022.289 225885.3445 298417.6487 661805.0201 179026.1149 200676.8975 193091.3928 196984.167 205752.377 273194.6817 322686.7822 115372.9251 406174.3947 9126008.991 192504.5605 7533116.628 160738.2204 156247.9364 213425.0846 160306.1083 435113.0234 360981.6894 562810.8685 1401993.816 167139.2311 132342.8719 108000.6456 126247.2685 149126.2734 Catechol;1_2-Dihydroxybenzene 72366.44869 4949487.013 4591689.577 6310906.496 5323701.934 2150958.299 1329941.21 1074184.104 3191633.044 3006138.973 3866615.725 899328.0488 6220886.968 585804.2903 3760177.969 2681405.578 5214911.347 2693431.926 889735.9977 1600106.433 5401061.678 2545677.067 3258131.489 1019809.099 4449420.5 4500807.11 5948726.322 633277.1645 428400.3903 5385936.148 5012097.998 2934510.361 6701489.66 5550979.411 3085725.615 2346024.868 1787268.747 19664349.33 3865246.057 5606586.573 683956.3076 2607468.678 1641587.335 2382080.593 2140313.238 20116816.01 7937503.362 5226451.196 3720813.266 4977476.396 2833919.29 2570547.871 243320.5722 4983347.456 881229.5682 1957678.76 2275411.448 1321178.299 6334835.996 2473965.663 2462641.52 622115.1747 1716946.078 953352.2487 10093357.84 2350517.639 831153.9165 6405697.934 729810.9451 7322291.194 1666895.319 2941275.538 5523592.555 349851.3984 4135149.724 5318178.739 445203.1485 7520795.045 998531.8369 7098284.904 6147196.27 2785322.757 6993724.977 377874.0709 3526817.601 1147036.072 8286801.763 5248940.931 5223848.676 2750763.161 2690470.372 2285010.588 604113.2913 4262457.058 4165247.905 101216.5551 130253.3495 3055260.867 3493615.329 2681802.559 2207987.386 1253848.485 850116.1413 1888542.95 3490444.662 694587.245 2374339.914 2142582.815 4569901.514 4078131.613 3516569.161 8428562.219 858214.1838 1211584.677 334178.8621 3570696.842 5499339.695 5930669.68 7358486.042 1250615.608 3415631.49 1580720.086 3256606.292 643280.5678 2270740.53 3560682.967 2607624.071 856081.147 5245692.864 6939548.36 6753254.643 2125256.934 1697398.098 4147061.456 7320240.48 6152671.986 3403060.733 1482049.162 5243309.542 2930350.35 1782503.136 2113599.936 4681055.234 5916917.911 1969885.675 3170154.815 8312811.599 1258733.809 2654267.982 3637958.096 4721083.79 9840602.256 2482997.127 224005.5338 5089930.327 2305248.743 2200190.416 5147064.836 105400.7391 1843668.792 5495608.23 7843621.267 1528695.144 3644682.435 2571936.658 2330786.097 1237390.703 880975.8606 2857889.229 5260511.986 4409672.071 104135.1181 98176.49592 86397.52918 127488.5227 82073.29911 cholesterol sulfate 682051.2485 26092852 32405558.7 33459968.38 14341109.91 24920948.92 18876002.41 24075230.25 21591712.63 32474990.15 29641137.19 17851189.58 29105061.41 26610076.34 24723617.03 17783532.82 28820664.11 15940325.01 11129731.45 20320091.06 22282159.83 27328646.52 22615309.23 20743718.59 20123665.48 35818047.34 37183528.29 27516947.86 17893962.98 14312677.48 24852720.1 21686769.27 26275748.61 24395912.94 15433896.84 17834685.35 14763858.36 14775154.19 14317223.38 12550452.53 34879027.73 13856821.75 17990384.85 13800625.14 12914061.52 23587462.83 17597350.23 21493001.73 39457711.3 34158663.97 16608296.45 13261202.06 18462206.22 14671187.14 6396573.703 13515277.74 14545680.08 26307239.6 15570814.67 12782453.29 20035575.82 14737807.27 13010281.51 15745064.18 25024455.24 12790910.18 12408998.44 19285155.05 9408009.833 20944707.12 7769731.201 31097823.77 27662859.39 14213033.77 11524320.72 12183787.58 12979603.05 9068095.994 13207976.58 15096715.58 16165478.92 15431630.89 11444586.78 10855064.86 9303328.127 5694034.785 9474258.227 11505254.21 11082179.1 14270853.88 4977874.996 15402046.78 7171805.602 19241757.78 16667635.5 1358709.133 372998.0785 22752104.92 25356382.85 8372426.511 12278882.85 19908729.14 14617916.02 15589356.61 12296157.22 10404460.78 13841060.19 13130180.21 14980736.88 11371480.96 15380766.74 9377341.146 13467437.31 11303519.22 6038514.616 24843009.44 20341832.31 18110431.62 8717459.969 8615004.906 13740339.84 11867495.19 11922170.4 16368785.25 6668269.157 16493848.37 9196771.788 11952892.4 5958264.068 9634046.906 8422364.455 9276174.445 12079121.26 12914813.76 6635671.066 8780372.021 4055662.943 7053592.58 8784670.006 3283700.295 6591965.408 10602931.65 3470600.324 4958306.086 11322614.88 11960795.76 7885259.608 3360982.234 4136507.921 8539517.723 11040415.48 7517113.586 9939452.437 1661814.999 8135083.203 2986567.541 3204162.981 6623441.322 451820.1433 3140529.789 3198654.155 3829019.768 1361114.911 3379452.614 3027434.056 3035511.445 7401046.846 6086554.637 13587828.22 16721752.34 1526183.11 461794.9227 163315.5309 387550.357 158203.5811 191155.5744 cis-Aconiticacid 58576.38368 19939347.39 33320523.27 33703821.59 30366880.21 22070177.63 36977201.21 37596536.31 27015651.92 29999891.06 29862759.34 22954707.03 16302381.25 16484283.82 40583716.51 19395644.24 51427262.7 31514173.17 23183579.49 43963644.13 23424797.89 21173136.37 25653363.15 28657330.43 31629022.12 25651847.28 28632020.92 28377295.44 33352815.69 24245902.77 29326035.73 36332225.56 32586082.88 19884097.65 17777818.84 10656611.27 22150505.57 29018447.11 29872470.25 15497385.53 25504258.8 34080498.16 24682580.82 23216557.91 18312137.8 22846969.17 29008707.53 28587467.16 23444641.85 29016895.48 20814611.09 39164851.13 11561445.18 32391162.01 55874427.21 44173329.5 49521652.95 24714234.76 15873219.99 19844978.84 26734926.3 14051139.4 18478554.11 32385612.81 20572227.52 62975910.67 27183082.07 49929571.26 16299994.08 26556259.09 52391399.78 34538986.1 43381990.2 8509057.381 44925885.83 40784718.61 26789164.85 30771850.91 17079332.35 29029595.7 28630304.82 30089197.59 26361018.08 16115044.83 18748652.62 26916842.63 36834392.37 31385867.4 27070994.79 21924123.31 37793614.03 19063481.84 37469735.12 31166869 36892002.64 223964.0042 55310.43247 34294738.11 35646127.08 34144825.17 17465011.7 25992888.54 29513617.98 29161617.81 27135241.31 25969261.45 45718765.44 31392687.29 19233385.71 39994702.85 19073071.45 40054206.74 32498666.22 45464450.94 40473917.7 35065551.47 33074119.38 43828537.59 38402731.21 39618467.73 25105606.09 21351942.5 52259174.71 22072036.96 10202017.65 34277366.85 27943788.27 25172260.36 24130694.31 47614631.75 20498179.19 19240898.59 60070107.78 43111861.77 34068231.13 34733335.67 33919873.28 103148690.6 37559609.2 31052524.69 31571938.19 29601122.33 73697812.87 33760285.97 31028676.85 36548533.8 48294255.44 44186268.49 34563832.76 42062558.62 66463699.24 51545166.74 24083732.14 36673182.68 28474390.5 32818550.77 27233668.3 34342988.62 121636.2784 34088290.03 44609747.23 37664953.68 31853411.78 30518440.58 23372733.22 15682113.47 22755583.6 18512698.53 65652668.42 50954630.73 61211602.17 46975.38214 92676.51624 61645.23583 145904.9872 199057.997 Clozapine N-Oxide 15752.40518 239241.9809 101084.3614 124363.9952 308431.8818 113299.102 69789.19314 115750.5647 152126.0226 51700.27435 179807.1757 94080.53387 641128.9614 831143.9698 414314.1401 145173.6242 34828.02839 131482.8001 37272.04798 210932.1805 645399.6467 101678.054 486110.1731 80091.14618 96097.45951 134485.9629 202504.8907 101806.1481 38279.52092 98530.56835 207725.7108 152150.4529 127253.5601 90349.46312 109414.1036 371150.6331 53398.38393 158276.9899 45912.09201 91718.92329 49926.54222 50941.01815 109211.8537 100546.9911 46056.805 442908.0455 85839.86392 63250.41559 40362.19386 73714.86445 84249.58487 39668.31 62874.95386 151763.1418 54246.04872 227744.6039 59507.35346 160014.3875 57574.2839 307320.0855 174831.089 82850.2487 33382.12061 51035.34554 407003.7727 55607.47112 51593.77002 58158.55774 271802.6932 69286.76078 41105.58209 38563.95047 38173.37432 115974.6556 54258.98763 71348.81652 137481.1143 44308.3387 65403.80601 140943.6334 26988.31639 85674.42671 51944.71943 207167.7607 125434.3619 33545.89511 53823.53696 136327.2994 45434.57268 182061.7664 40477.20007 241886.7469 32935.04528 38382.67267 35835.24831 12478.01263 12664.33119 38893.57233 36558.66958 61029.4858 145776.9592 41084.46305 70317.62423 140844.2643 95727.63272 37364.50973 37871.91351 153426.6441 34246.91145 33648.72764 130655.476 54227.98843 32378.25591 29536.31677 43021.80318 40854.91375 64209.18361 71482.75823 114612.04 67815.46269 31712.47876 49368.3936 83932.82129 71835.22755 274823.5301 56247.71285 38466.87581 36057.13436 55647.18675 377925.9052 31106.81968 35832.3559 48962.35258 35728.45739 81790.27546 281882.3454 44585.17973 51234.12218 35469.21576 160046.8375 168779.6656 60571.3369 36983.53197 49587.86365 60849.54007 29926.49764 92099.74865 54655.72634 56405.17255 41262.82169 37353.01212 63629.75146 69268.5327 35055.37917 39496.17488 86424.93173 34487.90031 56276.17831 21264.18374 47396.58496 39322.8164 46563.76519 34398.2273 45622.88825 35084.76428 36986.01566 50575.55949 131720.2612 33151.60728 34594.47378 32464.60098 13265.19689 15266.15011 19122.26144 27602.07463 19504.45856 Confluenine A 93170.80284 444600.8157 3414526.43 2698944.903 115554.4708 93855.8363 104896.3748 223588.3106 75007.29743 545966.2838 94854.6005 460322.1028 74249.59371 100443.6739 82594.46871 539704.7668 133111.5202 136998.1178 123017.8272 97631.80946 346370.0274 359184.8957 140805.6634 1914324.311 139684.5835 3346003.428 2936799.43 73192.02397 175979.2894 102282.729 597840.2148 92853.09012 113921.7637 84272.46273 172990.1246 183407.2352 73691.37232 749210.7617 824509.7923 84637.14562 77655.88765 86839.59735 117780.9085 104125.9423 95760.14195 94534.05489 88751.91292 1335616.375 3083672.363 2261822.437 533824.4262 569665.4129 140996.2846 83956.10465 84710.48933 97974.65497 120278.529 899093.4504 80429.1575 144634.7024 278382.4897 102085.7413 85321.92925 808837.2155 738581.8098 81261.60842 326470.8707 121031.6336 75942.11794 102642.3037 112529.2727 3207940.369 2625838.927 836571.1601 108030.3806 543604.2142 251575.3361 87387.99698 1639294.24 97971.91365 88308.53143 319414.7613 81373.32814 93279.45399 530973.8776 83679.21571 96477.3097 1027173.352 83153.38061 67176.00513 185676.6239 76552.70866 1638846.397 2898740.858 2368189.473 49527.45635 43614.40241 2913234.026 2104063.531 396973.6807 84781.8944 109991.9805 72914.11492 80813.03533 548251.7788 154178.5061 58256.75071 80714.2758 100641.7572 732714.8278 554192.3968 228655.5316 86892.74617 105523.8442 82180.27246 4265738.556 2795897.117 620760.2752 84846.84083 81779.56536 119523.836 83710.50899 117362.3046 111515.2933 96598.08429 97961.89819 801693.3138 274598.7714 126893.4965 112852.4319 76377.78828 93323.95431 3965598.104 2780003.502 69556.94449 84839.54594 72793.24877 106589.7425 235592.3691 530506.4304 85198.99893 127566.7665 172416.4502 92069.2705 373164.4224 121290.8643 337088.5367 166839.4199 258701.9564 3708486.323 3021911.279 85673.70367 365150.7332 77340.32701 500821.6071 247480.6006 207108.0103 93807.68828 80897.95976 235357.2356 120704.298 73412.82112 70611.35928 72344.42177 293999.5036 90856.39185 86223.54793 252463.0894 3226373.325 2299048.105 460199.2623 66731.19701 97765.48199 56893.89701 98531.32845 51088.80024 Cortisol 47811.75318 3748909.368 7786127.411 6030840.38 4245201.516 6473349.123 3272397.02 3065144.122 8284601.981 4355245.916 9733820.754 6876661.45 2435288.232 462217.4148 7963468.488 1882942.427 4097981.129 7554303.425 3012629.59 7743984.873 2916295.04 4703039.471 5667964.276 7841157.141 8140952.992 7376504.27 6705517.626 3272240.389 2810843.539 2799201.607 4827340.144 7873552.893 3995545.983 2290012.448 3867372.798 7761810.517 3163950.308 7858167.124 3377283.14 1228258.926 7371973.367 4561704.4 3639688.017 3942697.071 2872430.653 7349987.607 3675749.714 3794449.562 7650527.765 6296158.07 1409685.412 5051240.161 6536904.074 2854284.674 7422810.896 8453169.71 8086027.635 239465.5179 4097991.346 6916283.993 4795997.289 2500554.632 4179830.94 3722624.21 3281683.236 4236349.4 2198321.148 5408602.866 2662556.28 7124101.597 4397073.936 7855342.476 7638568.747 4011816.059 9306573.556 4630388.298 5641329.346 7971436.956 3876537.935 4206309.019 2345932.31 3188179.006 4148533.798 3285211.145 5239398.321 3939112.503 5006831.895 1265811.124 5067400.137 4517546.244 4750682.758 7641537.104 9545992.87 8162891.951 7279957.992 61592.47665 45267.47824 7924705.226 7306834.535 5255183.909 2793582.14 4042180.537 3317848.364 7895306.112 16591391.54 7636277.862 3922151.51 7290757.317 8779215.574 859182.2138 8562986.88 10526203.83 2557696.948 2258897.272 2733663.616 14326715.27 7271843.299 5626469.699 4595297.173 4611782.155 4678909.26 2672592.378 22395023.11 3442701.392 3302663.109 3537211.004 16753433.21 3358755.539 2994968.556 4344670.035 4197790.336 9221454.633 8252515.498 8866456.119 3698342.036 11949615.48 8833486.672 7559814.563 3443783.371 8221157.355 3094015.516 4010781.155 8849439.857 5284255.802 7205038.263 7978767.837 7981853.324 7646504.532 3284439.337 8424322.425 8417573.822 5762629.849 2523944.044 3085156.719 7769691.322 15129284.01 1651823.616 10131262.8 91277.40414 2926584.566 3615143.983 6505192.817 3991779.469 2575638.741 5203144.491 3580929.6 5036530.381 3998620.296 13738477.93 8270435.906 4478733.795 56646.0467 76904.7461 50279.20783 51454.25079 66650.51753 CP 47,497-C6-Homolog 634764.6756 265224558.6 811569927.8 942003101.1 206998155 203253922.1 264792353.4 172696762.1 217657926.1 255823953.6 171224083.1 325158957 240506285.3 142613959.6 295581643.6 154330568.6 158339011.6 126574984.8 288114578 360308629.9 189251497.3 273232098.4 245471281.3 408201805 269395338.5 809851760.7 956917635.9 296123941.2 361500751.3 355898114.9 135338704 173070836.6 182401709.3 259187789.3 182033349.1 215071043.7 149191879.6 289011776.4 395678048.9 209756374 239096947.9 159263993.2 408401558.2 218302530.2 251295790 323701748.9 229259310.9 226687893.5 781381872.1 880903802.6 170764797.1 211886644.5 232037502.4 237192512.8 372689981.8 285265859.4 251603383.9 359400039.4 204546064 260944480.6 250030799.1 407855721.7 238060382.6 419054188.6 299229924.5 300886783.8 253786796.5 221471164.7 188771791.7 216656037.2 449482479.8 768377932.6 961657273.7 247151954 315082580.4 129852676.7 286063772.1 178990544.3 336512625.1 220097821.2 422802514.8 320345055.6 247161239.6 461448831.3 144951247.1 407619076.5 292043220.2 249131989.8 219273999.7 167501597.7 613109077 174558574.8 217250734.6 877435629.8 919802238.8 1319848.936 862193.1821 867841966.6 975750694.6 285271166.2 456244161.7 384929860.8 218387665.1 216229734.1 291276693 193066070.7 172427220.2 156041675 562842199.5 510750924.4 194989351.1 226524819.2 386269241.4 523072259.8 492048976.4 1013552438 1077519275 176732773.9 297097331.2 370682862.4 166672215 260946274.7 336271612 230302017.9 258200002.1 174774467.6 476674437.4 410803047.5 220707981.1 272467891.4 243930028.3 275083139.1 929337991.7 1057848204 243820153.6 168850571.2 282780664.1 291123162.7 433138756.2 160598095 438201864.8 195228389 278781241.2 299080322.6 190879320.8 178378574.6 358476307.1 274785143.6 349116838.9 977280774.9 1142098501 165512584.3 405663042 227831270.5 208715999.8 176416606.7 432363712.5 233689880 84171.26879 444683891.1 411347529 255999038.9 294929819.2 251793800.4 256406201.8 444544138.1 418575991 427189374.8 928611958.4 1079340817 361090837.7 960694.0384 937952.929 920082.0784 1023177.777 1005147.609 Creatinine 240941.6666 123281096.3 202026640.5 246026570 195636837.3 195823755.8 120949382.7 141860146.4 105962778.4 136755083.2 236923734.7 172601158.4 141061863 235772690.8 134927520.7 117309812.6 200120442.5 207217120.8 148047706.3 156971521.8 126612378.2 115957492 195584815.8 151803216.4 171353981.8 217939223.5 249858738.6 161810902.6 144283462.5 245469516.4 137736402.5 182440305.5 128558314.6 199192529.3 173736248.3 242958424.3 156727208.1 173747192.6 191963404.6 183365651.1 163012627.8 153719804.4 181769823.5 230343868.6 165591107.4 347913892.4 177003502.1 170120272.6 232866831.6 288486808.4 166984937.4 180433922.7 180316274.2 209384600.5 221612848.6 259553582.8 262593803.6 311910689.6 160144284.6 193752173.5 187381309.5 197031697.1 197389396.1 121857505.8 171293040.8 147824972.8 169636779.2 338169788.6 188613048.3 178657447.8 235118857.8 273307045.1 274535466.3 202755874.3 174996202.2 140168370.7 359856553.6 184278388 170710521.5 186812128.5 139763448.1 176644565.7 217808811 177750117.9 248043952.2 173659845.8 211799045.5 210092742.3 174303385.4 309911354.5 162213399.1 258420035.7 169445676.2 266945714.4 356487196 4816002.736 2309775.724 320036837.3 359376033 123167038.9 203421626 257041969 273150731.5 221817613.6 328521222.2 200001792.8 132634216.6 179479767.3 226333783.5 260507849.7 266346445.4 203645565.3 236658994.1 271125453.6 167406337.3 253249569 369166861.5 156075946.9 199667535.1 155424747.9 275586138.3 247840157.7 321487252.7 250316450.7 280455783.8 277497015.6 178696813.9 240267017.6 250885097.4 309747708.6 374686694.1 310495678.9 277279102.2 353095410.4 216710586.9 221257992.7 356405659.9 168918026.3 162595055.7 222815924 256267215.5 372897306.6 267884034.7 292913021.7 237381263.9 321532036.6 364328120.8 260702264.1 235171790.2 303512534.4 339483546.1 295889454.8 447086228.2 311268360.7 265219783.3 289827179.6 360185417.6 438650247 6964615.334 320347773.2 254602356 220252314.1 177067866.1 228140351.8 310682892.2 335802759.4 417946205.5 414905388 316395362.1 377696072.1 190275493.6 4586146.703 4489419.073 10467991.06 2808685.186 762772.0092 cucujolide XI 742003.0142 192666708.7 260984613.3 360228204.3 163739861.4 315474372.4 252938509.5 311756607.9 245645640.5 196134706.6 173408330.7 400245070.9 368834411.8 63613833.89 185311082.9 249533089.2 268670285.1 158067621.1 195218576.2 306517175.4 244615004.8 252206000 211558021 434481616.2 247410589.9 256497958.3 346223693.8 248082289.8 170283264.4 373943432 103811882.7 196545860.4 127187785.3 286116541.4 225470114.5 300706234 126257557.8 247892785.8 447059707 244013281.7 245896371.2 185534646.5 283822942.4 450696565.2 156589412 265430957.4 227613259.1 193507012.8 273539720.7 334737687.7 129549851.3 259996735.5 312001618.4 150952745.4 137067074.5 184685354.2 216621381 281779511.5 175875161.2 212601154.5 337838393.1 541890901.5 391420871.5 481208812.4 219403732.4 172918627 300618094.9 257899592.6 185824856.9 230321327.9 280008837.9 269685149.3 331435030 287970133.9 208801348.8 80122909.91 237976362 132617115.7 327898640.8 203762897.8 447753507.6 277605642.9 340382609.2 558711351.5 188009746.6 282710114.8 187612540.7 295764182.7 186547958.6 118615598.4 315859396 161917289.1 194765215.4 297065668.7 358265325.3 1542826.699 1007853.72 275516191.2 303057144.3 225131409.1 430085624.2 593055145.2 309328192.8 142591905 297425661.4 377099197 162599815.3 209376404.8 592514329.3 364770076.9 201862717.9 201442059 280796570.2 342436552.9 976515946.2 323528004.2 395943971 193163788.4 515126512.1 196475960.4 206639776.8 238470535.3 498826701.2 229479034.7 251976461.1 237701711.7 514074029.6 652020630.1 247562010.2 284108222.8 212422327.6 404297349.1 299937931.6 375781680.3 147287432.4 120803226.4 118772518.3 193171588.2 322236585.2 304556162.8 304863857.5 112834542.3 415009060.9 267032815.1 209852055.9 101065738.8 274738920.2 295070043.6 426978921.4 314186180.8 404829718.9 243624288.7 419943454 271280551.8 218804544.3 149196368.9 521603927 258889409.5 79184.51098 214074890.5 251098433.9 359720330.6 395009071 339799798.7 298623539.8 595762925.4 332442716.8 265384275.6 321168512.1 398121470.1 262671898.9 1122995.497 732663.6156 724265.0179 554225.3301 1174959.137 Cysteine-S-sulfate 73207.78698 1002922.501 143052.1759 353449.2968 1645404.587 1078074.732 2243753.754 4601027.99 2380625.565 1624785.934 1608829.397 1427121.337 1490604.562 2624650.55 2441972.692 2800661.706 3632128.056 2059486.908 1489714.166 2264814.036 1658450.933 1695033.214 2804460.901 2303482.161 2747583.985 390733.7499 181133.9672 1312130.289 2148063.75 1405145.04 3726195.403 2369971.363 2157233.612 1871637.073 2349944.566 1634985.411 2132121.528 2015983.655 1544422.455 1850555.445 1850123.347 1511217.838 2184177.634 1608439.874 1451271.005 1926285.739 2420989.615 1340532.561 132832.805 138085.6808 1674120.319 1624659.461 1079402.616 1622311.039 924919.9701 3621344.187 3390239.059 1859322.027 1768138.883 2324163.118 1838453.73 1402638.716 1419731.834 1941103.996 1951516.869 2962081.192 992076.1726 1917127.652 1199615.141 2724297.898 1887681.99 286627.861 105102.4513 1457024.586 1348750.739 1875523.258 2489400.673 2026461.21 1371080.465 2856115.173 2042917.705 2395589.288 1200247.674 2783405.943 1107370.706 1069572.867 1174075.145 1749758.464 1785276.439 2041533.934 1908413.303 3103190.646 1627202.837 103080.2227 173839.5154 102050.6344 63201.72755 97290.26856 136940.3841 2501781.732 4320616.94 7157595.199 2469292.422 1793170.822 1580717.19 2578625.515 2184646.733 2000771.386 5160156.261 1907671.078 1257659.863 6816573.948 2002625.224 1510554.047 8079734.587 178915.4715 147372.1457 2426877.832 4580524.225 1766108.823 6544328.741 2779278.292 3894452.424 1908191.312 1785652.491 5838483.405 6405458.165 1852681.574 2398228.069 3782314.265 1274383.774 1151173.332 111438.9975 97386.12257 6714130.931 10827302.71 5268831.666 2410625.2 1767431.928 6390333.515 1940437.292 8230090.315 10952581.98 1294407.232 2430798.993 804896.4573 2715654.007 2137634.436 2129592.123 108448.355 120291.3742 2459300.593 1012987.103 1742055.718 1966070.536 7501425.328 1499387.898 7520173.831 76818.45606 2012865.213 1709515.109 1795048.143 1769116.997 1531718.353 2451595.283 1901951.834 7367339.929 1248898.067 161822.4524 130084.6499 1025743.248 77689.8409 62915.86241 76556.79916 95709.88763 89317.92612 D-Arabinonate 905076.425 7911794.414 7765655.64 17505458.36 12045339.66 7054517.862 12468000.2 20202084.75 5875814.114 8589836.921 14836394.37 6916280.302 13035916.96 11975780.34 14875443.67 14166121.63 19700554.91 23670727.14 12653730.67 10463808.99 7225750.03 10427600.01 15692887.87 14093838.78 15374270.48 13054171.67 15270806.12 5943278.771 11134751.38 13240599.2 9132988.007 11918361.56 11054560.82 7803472.527 8302126.864 7037661.955 5009187.089 7034847.192 6249219.662 10375432.41 16805267.25 14518204.45 12159694.37 19187438.21 13676628.49 21666399.09 15069225.71 6443859.116 6645427.713 8554622.959 5585974.166 10747665 19271693.69 20126481.61 13882379.69 15944423.83 12492984.65 37950718.99 6358281.839 8631408.316 8789199.79 5235488.906 9760951.224 13989106.94 14330186.64 13271415.37 11858690.46 20716421.11 11396382.6 14646571.24 11428468.27 8446364.947 9508824.171 5212975.622 9942390.089 15517786.2 12699221.67 9871871.161 6835565.993 16077045.45 14036771.9 7986899.938 14825427.34 14954767.12 9943143.868 11484018.31 14279830.25 25424273.58 7254107.348 5826545.61 11461524.85 10597856.84 9959713.834 8781177.917 16891934.83 1449033.681 668786.1242 7299968.43 10254084.54 10551221.44 11428476.41 7747623.486 10106968.51 10296198.53 23425970.96 10982007.63 17724426.23 15232660.45 15288831.63 8879020.535 20093314.15 17996383.99 7561604.077 12120431.81 18465288.58 14248994.76 15469612.46 30991249.65 19729761.13 14565814.14 17748534.76 11380859.98 10539723.63 6114672.455 16875496.81 29030868.01 18432489.95 11258579.95 13164186.48 18497489.33 15635161.08 14907360.01 14635444.1 11204483.2 16867829.05 45990130.07 10630582.22 14385354.64 12211888.13 10579293.55 11787858.44 12737231.4 29322912.05 18612280.16 18283631.2 13555897.65 20261613.73 16175254.27 14955388.92 9398398.285 18168694.37 21355358.61 24725545.63 12435749.47 17867759.49 17842844.31 7832272.697 23495666.71 994502.4639 13207763.77 9557685.659 16050552.18 19508889.66 13035050.01 14690596.87 16142460.53 12628256.4 12199413.4 7082360.2 9109890.935 23044457.82 894101.9074 375107.4086 685789.6747 130399.133 361236.6104 D-Arabitol1 322995.7123 15290246.61 13805664.46 15009218.65 14984344.66 13319066.53 9677169.674 30476026.49 10650023.53 12162372.42 21663756.41 12604942.41 13811668.84 15521764.51 15022683.1 12306358.59 24495166.56 34097078.49 12143520.12 16616699.07 12474058.82 16521713.66 14872287.3 17371528.44 19632120.34 14465898.1 16788730.8 15028769.29 12516387.99 18693775.59 22012839.62 22418324.84 20407927.9 15772406.67 14666863.23 12115522.04 12537838.3 17501752.13 13463698.76 11921047.82 16154720.96 15622542.95 12129770.35 24478840.11 12808667.03 24312195.54 12760074.99 15134543.98 17123969.82 17448740.45 13065543.77 30136071.14 13555417.8 20920360.34 14591621.36 27248870.79 26928785.02 26971961.97 13891202.15 32286702.7 18927288.56 12354454.88 21388987.06 13838154.63 14883008.63 16691377.54 12230376.88 31116832.27 10922491.24 16363274.94 22384718.93 17738156.11 20841414.25 13842974.59 17001305.59 23833786.22 17770405.56 20231749.81 16031751.82 20795473.22 14535450.95 14886888.12 15338625.84 18985573.35 18282406.53 11092349.07 12796825.71 23157399.99 14528710.12 16035273.19 15223025.31 23761204.44 15009083.81 19441783.63 20027771.11 980511.8817 475072.9449 16919562.78 18113584.91 22408004.32 12473556.61 19393213.84 17107458.46 12007314.19 17975219.97 15293346.57 16915575.96 18174702.43 14246638.89 21878095.73 13734763.04 20146929.33 14109180.52 13917474.72 17653505.55 21580893 21882343.24 20128731.03 20606949.56 16953426.31 19469139.82 14000498.88 22568857.9 13334615.15 18855750.11 29309255.13 21250618.38 15081221.29 19826957.8 17841967.19 15448832.44 16833141.47 21430359.55 22019689.34 20794201.38 99387494.49 19611246.42 18956823.46 17739003.06 24194687.74 13755282.47 16687762.05 24395607.46 17435036.81 22423902.68 13860690.12 56280294.84 19654269.47 15083921.98 22476349.43 24689581.49 24234168.93 5792715.948 16741350.02 21839179.08 26448415.69 16588812.67 27229878.26 328569.589 16451678.47 17303753.05 21023376.81 24222561.79 12390926.61 18309140.66 17625632.09 13013632.48 10347659.83 26518803.11 26933988.41 30422009.5 392239.8605 372235.453 609337.6493 389298.6338 405938.3079 D-Arabitol2 667884.1796 9643909.475 15510661.5 22180572.85 8401553.793 19153526.7 7691135.347 25336991.96 12373914.16 15654131.63 9145890.019 23477182.14 19410215.95 4868829.681 21387480.5 9475085.124 13548065.76 9440593.619 12754015.86 20932947.12 8435247.65 13326107.49 7809312.449 26531887.89 16156411.91 15885501.13 23486790.41 15597482.55 9175959.997 18848410.66 5865487.584 9436930.821 5407183.521 17930364.85 11148490.12 8138618.548 8194262.18 20533985.95 19497211.67 9896744.579 14301281.09 8974925.095 13863272.83 15573382.21 6263293.547 14133557 7677002.138 15343972.61 15919010.93 21259202.75 5783764.615 11689036.4 9155510.412 10253135.56 10583116.1 5361483.008 7671552.828 16535368.38 7176694.948 14050795.02 18197456.33 24638781.46 20102871.36 18102836.92 8095812.067 11055458.39 7836675.602 11945035.15 7164033.92 10248782.66 19828507.38 15702816.4 23192207.94 6558980.593 10959399.36 4977254.948 12469586.86 5571014.124 10141979.15 9649425.284 15943708.74 11483729.58 11956648.89 50360597.12 8893466.454 9026212.947 9068613.658 13494791 8319916.386 5792691.102 16452367.17 6674476.801 4447179.539 15118849.69 20223931.09 713926.5612 861856.451 13966485.13 19650514.52 7404529.356 7655178.952 18409188.23 7121154.954 8250316.742 6923804.069 12895408.8 9490553.905 8989371.041 16745613.14 14795430.88 8396857.085 7162295.803 12751178.1 19602911.13 27022981.07 17903523.51 21061656.82 16880343.44 16325978.56 19731830.65 6206124.027 9982590.144 19195057.48 11471064.96 7725001.976 11096210.69 26917245.62 16882051.31 5963918.685 7349275.086 5984341.382 9347454.886 15480668.23 21285094.03 6439094.624 9694506.117 5054183.878 10079159.9 18004570.97 7576900.319 11023952.36 3920006.188 14187619.21 9160524.723 8891971.533 5174984.239 5386302.313 11780530.1 11709603.12 15223436.9 22725714.93 8542465.295 12800270.1 9125558.649 14124831.29 8409192.085 16272944.05 7058090.556 337824.7275 8892159.705 10137330.63 5801274.158 11463105.24 12946169.62 10638665.12 20458310.01 11756441.62 6226700.591 14246265.43 20481896.37 8467043.617 1630010.589 1054381.957 621842.5781 1066930.003 1183416.026 D-Asparagine 72003.0772 43208332.04 2219860.444 2899539.943 40644890.65 39179490.41 39660521.32 42663786.06 39903888.43 41902281.68 59145172.3 49614773.26 46012312.15 55986880.84 48283220.71 58258768.49 44701631.81 47737733.46 31232258.47 66106893.26 74225353.51 69656295.1 61410306.49 48686562.21 62335135.08 1843393.922 3450544.683 42236389.8 39225299.67 41613473.58 83041293.05 47733003.71 64838287.53 63613576.63 52904357.82 58389724.87 67737290.46 38109025.1 45820736.11 59306165.87 49318816.54 37771746.7 54099301.98 47720374.13 44849073.91 44056613.6 51600470.1 60797937.3 3024093.789 3655444.683 42236543.39 53685135.86 20652775.31 37486772.82 39155238.84 60314490.15 53891555.25 27386648.53 32927954.03 40649771.85 38393467.13 30198024.44 36049996.03 26656105.92 41613429.18 47909034.35 32780962.26 43372115.04 33927473.9 32464933.34 28506656.79 3540701.813 5235564.659 21288339.54 30342067.99 40903523.98 40942098.49 36397317.22 23159107.41 31131290.18 26797208.09 45169390.21 30604222.02 43716851.13 38453706.47 26956740 22731711.43 31545762.6 31837495.57 30929517.61 30194394.98 31555215.16 26582210.41 2619831.367 2889290.017 54470.73141 47148.39614 2147640.871 3467780.817 46642111.87 33977667.71 33207348.89 55063889.62 30722990.25 41763369.81 22083883.74 36183215.39 19077718.67 29687035.22 36239739.01 21724941.13 37903664.05 26799215.17 20129114.16 42851372.5 2439429.628 2957056.761 17096761.22 35910040.7 20996951.01 26781425.26 22727893.07 28863838.97 22777818.8 34928262.84 30654664.01 37561495.61 36771009.38 30811733.87 34120898.54 29370487.24 19978706.96 2586419.968 3024314.066 39516609.02 59805502.94 40681949.52 29331263.91 30495044.44 30739301.77 44491971.75 34999701.32 44904812.43 26002228.57 35370195.08 27786330.63 35986808.71 19850524.23 22016798.92 2647122.683 3197568.068 42667071.91 22026879.36 32221080.95 30207706.45 30579321.54 21033477.93 37138574.66 48153.44309 29390423.93 34982179.03 36470351.02 38676267.52 25844933.02 26868408.59 18816133.21 46278290.34 19150191.88 2481553.382 3252262.667 36435224.25 47924.79844 41091.27435 223757.38 38140.45629 40694.40236 D-Aspartate 370065.4294 7195081.035 1926998.644 2367341.979 4781336.16 4077572.911 3080751.257 5046829.59 4474626.065 3834027.541 2755567.394 4433126.065 5297109.248 4293419.394 4128502.357 8953138.172 8298469.93 8740593.979 4595129.432 5493861.236 11396297.29 4207423.622 6278053.478 5104079.88 3789883.844 2427710.73 3449166.273 4898131.416 1879305.005 4584484.188 8411594.723 5144406.714 5063207.541 5759450.998 9430977.802 6657514.652 4274091.54 5934004.1 4944487.493 5978820.579 10259902.15 4104034.672 4303612.038 6763845.501 3673550.057 6074631.788 4877589.216 5223269.39 4547764.782 4982470.139 5608360.262 5202852.664 7639469.795 4677907.625 2358330.98 6721272.177 6972984.137 6471511.93 3821518.63 6475591.631 5544140.534 3342743.281 6772649.575 4569636.718 6558153.619 4236707.953 6051918.086 5324739.569 5737443.88 6961241.896 4090145.692 6213946.927 8292128.855 6698814.101 6567677.115 4418521.095 7108267.311 9617272.186 7490221.482 9421072.127 5441982.504 6295544.017 4030428.724 28478316.56 10305395.45 2538169.688 3735797.411 6163108.598 4272042.893 4535273.987 3850212.12 4210802.917 8169305.984 6618384.069 6564612.276 1764566.663 47374.52439 5519247.347 6978968.854 10007141.05 5815690.778 6609030.724 6374172.458 5084920.916 9029318.815 13784257.11 7484783.258 3764283.312 4313815.566 3675978.903 8747800.498 6716610.483 6444614.601 5509555.511 7381868.372 6294253.205 6177699.841 8037587.7 2974565.189 7333503.103 3665616.249 9995980.196 10768885.97 4965464.914 5853427.182 3820052.209 5726724.796 4898644.566 6644229.546 5818334.679 4202571.047 4056291.089 6185733.799 6785873.954 4051435.196 5393608.037 4906441.871 9456696.055 5094024.683 4217255.678 3523650.945 4163925.076 5701403.103 3160301.871 6838150.607 3839007.883 7841930.47 11182833.09 6240008.318 5946057.197 6838224.966 8363266.134 11455105.75 7006102.092 7074499.612 6184072.994 6999703.992 5915835.676 52267.96793 4514855.49 34989031.62 7037676.463 5672820.474 6952927.029 7506158.865 6980006.67 6191245.823 6329096.28 7100378.03 7315057.764 13564939.9 269968.6856 54665.83799 54211.23361 50191.2771 217493.2738 D-Iditol 343744.0077 16026656.6 8261542.248 11109820.96 5670512.11 6805758.176 4154642.271 11155216.62 3924227.184 7715707.021 9954943.624 6023250.017 7121275.448 9301642.119 201306420.9 34093466.73 10503588.56 11965368.4 6085721.182 7624412.183 80268997.9 5669145.473 5293119.55 6531454.854 4429465.756 7806869.499 10797412.57 5803237.047 4344663.576 10068872.39 5820286.661 1033362.471 6435821.541 9578244.307 5908528.388 3092030.856 4146587.096 7318786.405 4049370.493 4960530.394 6439112.011 38027049.35 5604755.06 78266249.85 5934000.204 16833192.74 6162144.498 9118350.284 6183340.747 11300875.81 5561583.795 11455164.17 6584367.768 8459301.813 6199532.469 10747954.69 12130095.79 323509947.4 5433641.886 4606820.41 7579205.871 4309472.303 9006808.525 7026299.844 3136648.259 6721888.242 4806775.215 132467590.7 11931070.96 4571875.746 8869719.08 6491896.307 7216976.043 4316096.88 6213560.36 7463876.999 6990214.901 6523057.797 5379778.091 153407925.2 6845882.501 62366740.95 5997886.877 5411924.232 8097424.597 2544315.247 4380482.199 8177727.763 90024.27906 7576992.413 3124357.622 7536788.299 1684305.745 9282215.863 11148359.46 192771.4453 219403.9383 7977912.939 11129883.29 8750665.939 804290.8758 7342258.448 8082007.621 9067705.899 4270354.125 1659927.47 7804313.859 5186045.275 5335508.331 4477859.207 8068462.175 7114553.286 5322000.419 4707877.989 6389542.603 6030001.793 11531412.72 7173961.474 6424907.597 8283450.119 9018294.255 57804474.03 10169977.95 2038950.766 8093598.99 14678773.95 5136230.11 5121071.111 6466594.81 10349740.53 912571.6522 3486146.364 4565151.827 12438075.44 6038481.969 21807132.63 2884152.917 6605808.946 6279189.376 3465279.803 2903636.507 1437935.567 11614357.8 6888346.155 1037423.461 5499103.037 13426675.85 16804446.18 2816123.567 10154328.22 13745319.95 3298815.612 1168436.189 6794028.804 6820612.146 1528239.65 5723700.482 8945532.232 248227.7972 1195698.554 8063182.401 3400471.168 3989264.894 2614423.693 6937614.314 1053257.898 4756803.221 1168201.213 3563515.017 14334940.33 11710137.85 304991.9415 201835.5461 227643.3093 642501.723 267436.0821 D-Pipecolicacid 93130.1211 6287570.721 5275754.448 6958909.668 2420534.969 4585214.584 2494571.453 5319948.313 5806166.258 2778846.638 9041195.874 3029064.405 3399159.417 3642670.667 3875402.593 8193841.038 5136458.222 7850339.644 3288380.032 9625126.468 6276065.724 5030546.209 3784735.073 3895526.562 4211796.015 5229912.588 7215999.636 3156975.196 3523710.969 3911740.854 3798137.051 5403635.888 3999837.155 2670985.014 15513749.64 4095036.286 10455144.38 3346330.488 2853216.988 3399671.059 4983366.824 3116452.183 4615705.188 3688087.045 1885692.432 7537552.668 3955237.884 5148288.949 5455853.792 6740171.558 15462261.7 27335885.28 6386728.026 8165879.902 3035634.087 4223439.17 4190663.736 8800266.75 12617118.77 4469777.861 4561450.753 3683172.02 2194116.888 3508384.435 5786424.43 9304096.83 3960529.197 11352690.26 4884911.443 3826800.531 5072378.84 5573824.459 7988503.462 3588087.44 5753590.277 2520240.42 2273461 19776953.71 4355262.765 2317034.825 4284172.183 3429199.38 2699581.515 2882216.268 3481069.187 2702048.55 6728159.176 6500575.874 2949738.439 18871222.41 11333896.41 2854091.761 8657770.974 5864558.807 7208820.479 95968.35444 92527.38492 5317132.723 7089423.779 2827326.092 15084744.82 3424514.507 3906234.881 6057032.659 25591317.83 3998130.75 11213580 2558302.457 9263292.214 3892037.696 4796418.476 5732281.725 3547407.639 6203091.65 9474929.948 6519777.651 7574982.042 10555700.01 5371296.995 3397629.015 3461507.359 2009514.959 9449805.604 1498420.603 2614246.664 5272309.126 6508895.934 2265580.244 5444398.001 9733549.394 1439113.55 2031552.997 6079883.216 7128387.748 13364761.81 4102875.113 3994330.485 3559913.224 2809488.375 7363612.783 11538019.27 4611021.267 9426816.604 2871856.739 5200801.515 8450916.459 12819878.99 3042040.668 5595677.648 6543870.84 8775189.374 7491510.145 2826750.696 5757811.33 5847765.32 5127839.063 3699855.986 11203901.92 58336.53966 8220841.094 3545895.071 4202845.705 3302482.431 3617549.806 3832557.327 4023340.836 4306103.21 2025108.365 7041200.022 8998227.001 8729742.652 109278.1289 96361.71478 107316.5862 103241.4107 102544.0627 D-Proline 183082.8204 316678882.8 339854435.2 345607514.5 213147084.4 353979368.5 276762032.3 415383391.4 209940997.9 285253431.1 341095520.6 221737349.2 394116017.4 356844208.9 301883637.1 379546406.8 548260606.1 385029005.4 252681501.3 437064394.8 1109291133 224876310.4 269727976.5 303873927.6 252865868.7 345763159.6 354443236.2 492487537 338986024.4 274804908 827758875.7 315980501.6 363561225.8 357139117 445326995.1 307214696 305275974.8 364133608.5 298738460.3 298708476.6 260423629.3 231945178.6 280373937.7 232540100.5 261732100.7 572152178 272021029.9 601027932.5 349856591.1 344489742 275940593.1 598868118.3 345607888.3 276979729.3 256065033.8 371788429.4 337187520.2 531701687.4 352283118.8 465194168.3 268904185.4 370273238.1 409452839.5 233124732.4 259971573.3 374290601.3 258588050.9 453502700.8 290746010.2 299963357.1 368040825.4 361638041.2 389097138.1 435219460.4 250915417 501282397.4 401183014.2 316120660.8 239426727.6 274999489.9 227891236.3 287781614.1 393116205 367915024.3 726068293.3 358726765.3 303719808.8 587199368.4 357117169 500331035.9 660782545.5 314603417.8 260013713.4 383626406.4 339390627.3 2206962.699 220189.1318 339721953.3 349592117.1 469977311.1 436995994.8 486901503 341088670.7 279537994.5 274735725.2 276514587.9 296603887.1 212916327.6 213386819.5 305789842.8 305164867.7 297116534.2 294746760.9 347389807.8 306587484.9 418384724.5 371613063.5 340549545.5 201913841.8 412420532.3 462443368.7 254024560.1 193271445 197170842.9 617028160 315572187.1 249954614.5 329237770.9 309331724.7 254291313.5 289615579 236709685.9 399274173.6 387440052.4 447209635.1 658276335.5 532647683.9 356937818.6 395953518.3 347129628.7 333114695.9 385426655.2 625549316.2 477728931.1 398020991.9 344515538.8 518959998.9 280182638.7 319990965.5 393351412 419823181.1 328885505.6 328430088.7 296836916.2 283781340.4 253048232.5 331349453.9 556299113 2214020.872 442826889 418179961.2 292947816.6 249941164.9 543182987.7 367090568 236748515.8 535815188.1 287478580.7 433516749.3 429884082.2 431343753.5 1545012.759 223361.3837 2219926.578 240058.6985 241048.493 D-Serine 772205.4846 76365466.64 84136996.51 82731720.58 79414656.65 54083403.59 128514080.8 68400332.1 92776630.27 98544035.75 75917128.37 79282268.4 60672075.06 72655348.08 119643698.9 94222778.92 64186753.14 76322635.48 89119345.31 150176003.6 141227794 97049371.57 99790567.03 70871384.57 93392075.81 78938980.09 66638454.84 108599538.6 101214231.2 66206842.8 100613340.8 63935857.63 110915875.3 90121873.48 90736806.38 91896191.37 106305202.5 71161974.4 78002169.66 70135800.19 76602971.15 98232055.61 125223540.5 73106204.54 92599642.5 53853637.6 87792917.67 77921590.29 81301526.6 74370538.54 81247069.53 49278778.81 37419259.45 60917402.3 70800024.46 65181507.15 64982483.84 34933153.89 72881784.29 51542478.77 62355637.31 49125434.21 65615314.92 43905071.5 58420242.82 98860554.81 58553333.8 55743319.72 64409317.16 52593858.73 61284607.79 88653031.58 86251937.61 54050453.3 66736928.93 62821752.86 48712462.68 51903969.83 47237419.52 54425702.56 50910548.97 66821739.8 48499008.78 67481633.53 50786804.16 69035661.75 55993506.07 38408785.4 88193899.25 35564433.07 57624692.17 39851714.03 53271746.77 71109352.43 56921547.38 11523151.3 293030.9646 58156583.55 56347482.25 39561397.03 44657530.09 46773380.66 34908771.21 42492849.83 41325123.03 51355202.55 69425713.26 35771127.46 29701071.14 38816508.2 35045699.65 35514671.65 55491816.53 64355095.07 41791066.48 64390389.49 55846327.36 39404800.42 40393308.32 61930125.05 45256886.17 35697113.59 37268527.4 34568598.52 36890274.12 36473683.14 29266229.48 33214164.04 35415531.28 32148554.79 39832089.77 24490791.99 68379426.67 60635237.4 37863112.42 27816079.74 35873602.44 64692748.1 63515352.24 45037410.13 50848369.06 45444897.92 46911830.16 46553767.25 33969402.37 45962497.4 27519312.45 45720472.71 44051320.55 68754198.27 61932882.74 60939852.63 43886634.12 63092129.12 35808194.95 37257824.86 39839299.99 35579120.27 49909.52599 51309550.91 67885196.32 58647171.94 56358785.15 46202217.03 38935588.3 39855524.31 56539737.68 42906428.13 65881395.03 60172963.67 48466842.61 124762.5077 59481.78003 203122.56 63801.79156 38136.71828 D-Sorbitol 768739.35 7815888.324 10850265.95 17068783.56 6140087.126 61011112.58 3843885.314 8717014.976 3059033.908 10409719.68 18217135.01 5918153.109 6430370.899 45242918.38 6718894.707 4625027.843 27370133.81 118019787.7 54991221.6 447939.2031 4369088.283 22965932.94 4536880.628 4259759.1 5210858.277 10721266.9 17520789.95 16980202.02 3925802.467 6824959.535 186827885.6 14637056.32 9371463.796 4452351.597 3948992.215 3349697.807 7628142.289 4818152.316 3811365.011 4485748.267 58299646.96 7565764.424 4535158.086 7834754.952 6057454.095 38371358.01 4293333.203 5185984.174 11199910.1 17406209.21 3610579.862 7452011.543 6933111.3 11116302.57 6859511.765 10326050.89 10371854.17 45919361.57 3574899.752 6872300.874 7895248.498 3042542.712 58231209.8 5580047.446 3815655.839 8022665.889 4254485.961 77999577.88 3400572.236 6672654.268 32854135.33 12824366.41 20714200.8 3736256.927 6511522.675 5266551.479 5747791.772 7712827.433 4501323.397 146880520.2 5574094.527 5521356.704 4299353.884 27754450.55 6487025.851 3782848.863 4612944.415 7471080.934 4115462.812 13639023.01 3105266.575 34326635.47 5015085.756 13050405 19524773.3 1795735.321 1060559.972 11193158.04 18657052.92 58952613.56 4253737.803 14159746.32 5811432.058 11778815.8 6827701.665 21458809.84 6589546.314 6860433.451 4813674.758 6604736.759 7513688.847 5268040.972 5113983.528 8030079.104 4862108.394 13852613.45 14788077.13 72638769.07 25847186.71 5940428.755 5654097.578 4669021.848 6963375.656 6453903.408 13446554.04 7647635.585 8097150.319 10074055.78 5384445.63 4761978.482 40612661.13 21970808.56 13786232 20888057.35 5080841.933 18392328.89 5569195.439 7952207.834 19519364.66 6132926.323 3486149.924 5543327.335 8710625.301 8629689.172 8942454.478 4382365.647 11143185.8 22762161.5 4541093.792 14248403.68 22912483.9 13691441.48 13291999.02 4634414.43 13748930.21 7445352.175 3774517.772 12032658.75 103813.9694 68804093.79 5004849.443 11513112.91 18427832.55 5264228.266 7761349.159 6114402.863 4029961.674 6358229.551 15660065.03 24341812.53 12571480.16 815347.2596 768709.2853 1105637.05 576185.0591 492308.3673 D-Tryptophan 114919.9843 365556059.5 398985015.8 381318447.2 507176216.3 452503586.5 289770453 372445970 393138889.9 328181144.7 466206650.1 457198639.1 547012417.2 818276748.8 432975670.3 548960037.4 233512667.6 453572884 225857603.3 485374130.9 575604743.7 512588248.8 445326065 502034204.3 555682581.1 413604156.2 414512960.1 417624150.1 266129617.6 405518036.1 724420296.8 480111497 527875966 538277965.9 584800350.1 635087572 423367671.8 465835060 389198994.6 527577012.3 500397146.7 409668590.8 509898566.6 613805445.1 513645918.9 698367633.5 527249901.1 677529992.7 429014934.5 398497915.8 582655447.2 445439946.8 533262180.8 446070486.9 377833964.1 602121762.3 594789635.5 416407570.3 577358066.4 965850208.8 595839080.9 503045231.2 429339207.7 514479466.2 569601295.1 418452706.9 489522795.2 467080766.7 549665857.4 635150970.4 393076436.3 439343730.8 449294555.4 607540666.2 400087440.2 630885190.4 807903514.8 444486032.4 655097642.3 520554699.7 380889069.5 589953597.6 483184175.3 653088517.2 547893583.4 394920959.3 429742513.1 476695728 565192941.9 631393266.5 364532677.5 735595460.8 471604613.8 469339541.3 418160941.5 846847.6381 129033.9416 418881117.6 406847555.9 593276659.9 555984803.3 590498086.8 550834421.5 544648361.9 679875398 361047692.4 637210666.7 589162623.8 478766683.1 394395795.1 646307421.1 710182162.8 468056306.8 267148986.5 522040056.6 570666560 461983467.9 601125880.1 612363917.1 611240476.4 497295754.7 585074804.7 599705944.7 550743302.7 733193063.2 552198973.3 605134363.7 566374320.5 604694054.3 815660033.7 603136564.9 566782860.2 508408644.3 472782394.2 675357402.9 1024644962 644676648.7 557137695 604788518.8 734959604.4 566421334.3 764982313.9 619574296.4 610824147 674594348.9 516473373.8 629567541.8 679142692.7 518023949.6 529805960 519968050.3 808514311.1 614695489.8 571230304.2 622016227.4 790100217.9 488561745 742876739 155130.5743 694987545.8 571305222.6 665086533.1 516568619 587939896.6 564787271.8 466071015.3 647346818.4 587032159.4 538863608.6 507818545.3 477069733.2 120321.7812 144258.3775 1384219.297 245832.0602 187726.725 DA9185000 338267.733 75874137.88 150383648.4 145178615.7 72306667.68 96768365.38 66650180.31 106383168.7 66522156.72 71277661.46 54909322.44 82961775.22 65066256.53 63520184.04 78619489.02 68142362.46 113576113 70434532.93 53608465.93 65739284.81 49428515.01 66606172.61 77266114.02 76885840.8 70468382.11 159377078.2 141008104.2 75317978.81 59101001.11 55042612.58 88771681.15 70159271.51 59029392.63 67066535.68 72658760.21 95439268.22 88352095.13 61201732.34 51062288.85 60318299.1 60927355.84 54388686.68 61088086.46 58565985.36 53510089.26 90124574.47 44481957.67 97127108.54 155423286.7 141079087.3 50516605.48 95054147.2 57888347.16 45401395.17 47372206.49 84186221.61 68842586.43 153994378.7 57197266.19 78754706.6 91482612.33 65019324.63 78767918.23 78331737.69 71897498.24 95498145.49 49946183.39 76967168.76 48984764.92 66770360.98 53726722.16 157673544.4 146052599 75011854.85 61411650.1 52975144.93 77432481.55 83401610.6 63249034.38 99870027.07 51532842.03 64460319.35 55898978.52 154454171.2 77510084.35 38627596.96 58216977.04 65351623.32 55945541.15 91093261.51 63682908.47 76553707.11 110726105.5 155277233.1 122654969.8 209321.7068 238240.7143 133114758.4 133403015.2 68177198.44 65100126.21 64054150.08 62132990 68627377.75 69253985.15 117122197.3 61004256.83 70118523.85 45133864.66 63529336.73 75502490.67 49710850.02 66726822.09 67204086.78 58241567.84 153067040.8 140122973.3 66537508.49 49900303.49 71775559.93 44747600.11 85346649.08 75179521.21 74546530.57 64457164.43 43693529.22 43729109.19 55761567.88 82082885.39 51185313.09 76192584.3 44092897.95 147026725.8 137285570.4 51443779.51 62774767.6 70487391.72 64124967.21 62247784.89 77958924.65 43380588.75 46726004.69 51013006.08 56373003.88 67504853.2 64288427.94 67017126.02 66846341.91 55859942.42 152683187 138426542.4 142003546.9 99469550.09 43191765.06 57123646.27 54518603.88 56711857.93 61428899.43 257709.7421 47262472.08 55039047.5 72394840.62 38456181.69 68068103.42 70165412.97 87647822.74 55177041.86 88425604.13 81498032.58 134480418.7 73750717.12 346243.3507 264614.8215 319029.649 414706.59 262460.3628 Decanoicacid 2018290.408 19152711.39 31226501.82 32139439.52 23480374.46 22116214.33 12090477.34 59226669.28 16634388.49 19013020.81 8518231.608 16505725.97 27147023.18 5230104.062 19080629.97 9284541.966 9839652.278 13174196.71 8291152.915 12578526.98 14263498.54 15711766.49 16177969.87 22411901.91 35767265.68 32423202.59 38551610.49 36528759.58 10828000.58 15559109.4 20692330.9 9718376.752 7514887.724 26578660.09 10915214.64 10246405.06 14636030.93 19003469.76 16692755.84 21957686.74 16773063.81 10317540.48 15791910.01 13300632.01 7192314.075 24572931.41 10017819.69 13039170.88 34876126.16 35208457.49 17017944.33 8569572.423 18907413.05 16606292.69 11502735.55 18321886.07 16886735.78 24649854.38 12169572.13 11058715.08 26068158.76 30895530.47 23259078.04 36461359.22 15590972.22 13067400.25 11255032.2 13534740.66 15516565.01 22175710.28 14225505.8 34548415.45 41726545.74 18851497.89 13305681.62 9391528.751 16039081.23 19085874.33 28543322.93 33089344.14 83206979.9 22523803.36 17726184.26 65075385.79 25649655.91 26645702.43 14168180.56 28805128.8 29006720.81 7309158.876 22705704.51 19377536.68 8746922.57 40115464.37 39593408.14 1386598.959 1487079.939 36877299.46 36594507.67 12922648.17 21688537.48 17740647.85 16643251.7 7898536.887 25675704.41 16397535.42 18041787.23 14327450.3 55580926.38 22476558.65 15492903.02 15072337.04 20813322.11 20106148.34 24123012.72 44488350.77 42426869.9 115304443.2 52305942.67 20947514.57 28672280.62 26748827.9 34916188.25 33904056.18 28850971.43 41337638.14 45744534.35 81081870.56 28341784.16 12027714.76 18175751.05 30548534.96 46865556.47 44746890.37 12574308.62 34233288.78 9782356.564 20932864.53 33167206.31 29319726.54 54495384.51 11130118.5 50631709.59 93078921.65 28482864.26 17194639.47 16160776.92 70334003.65 26458086.13 45915106.2 52128758.79 15440074.09 21566901.03 12342145.1 29945499.37 14398172.86 55322313.51 42772803.14 582936.3229 39603556.33 34043338.7 26442946.25 21843523.35 56489824.28 15411704.75 35350041.4 74624624.19 18057061.46 57874636.28 53629870.11 32573930.99 1759216.434 1204646.451 1140007.076 1473008.964 1420243.286 Dehydrofusaric acid 24857.05839 278763.8843 225221.0498 146108.1616 156187.917 328053.32 195669.5747 76462.13428 69674.56492 217683.371 621473.24 67818.04138 67573.99744 65773.9417 77045.6295 675076.6297 351952.8069 213508.1853 116613.7899 71111.38244 67308.65139 170851.8924 134378.5968 279861.3728 233407.3623 114926.0115 158823.4046 65463.94605 65395.8973 1942200.068 911777.1304 437056.2878 573025.0996 129400.0481 69879.70033 791050.6143 276517.269 345255.7731 345788.8744 617970.2443 248623.1589 219051.7543 791752.3803 423615.4068 422337.7287 385404.3412 65229.72623 78929.36804 182031.6938 130146.9363 829478.6387 326437.8728 73463.07107 409566.8153 246821.8625 793110.4513 629798.2949 325941.5025 555803.3792 83025.53269 182588.807 313053.5368 451479.1462 426342.7398 360612.3166 99046.14832 74114.06174 91830.07097 409738.0141 96185.05456 209638.5479 138130.627 312201.8957 782955.9622 420155.9774 284768.8945 763839.6587 886895.0667 87643.41604 92341.12275 1145465.748 196709.4553 112338.2877 113559.2385 96292.3794 174928.3693 66796.98418 120896.1417 1428934.524 456432.9004 159764.2716 264601.6979 70108.27857 237367.5214 192376.8436 25061.48164 20700.65464 132893.4469 167338.6933 782485.1493 88923.67 197087.0223 104197.8164 71939.41341 425915.6034 529053.7344 460405.2676 242908.1093 667719.8194 136416.2939 425509.4716 475964.7678 743791.33 562374.7733 203931.5681 148501.3503 241816.5077 87974.4556 288030.9491 766120.3065 559215.1998 71165.52933 111455.2558 264451.8857 894928.8662 131295.1638 500141.0716 778177.6056 1022083.397 937851.4306 336339.2685 172771.5631 163095.9084 164153.8482 103935.0173 531892.4777 248122.011 355501.1579 403850.2385 187347.9184 128950.3016 261853.3492 118015.4672 723195.7524 709527.6006 558383.3386 629019.7641 119707.1744 202316.0201 168555.4553 244960.0621 178164.392 114098.6714 230828.5686 453510.8776 497422.455 559980.0031 611601.4677 31430.89059 111847.3224 116778.78 434486.4869 203321.0089 723404.7201 136581.595 285525.8947 737278.955 107624.0653 187474.8893 212571.2348 191071.0606 29092.80936 22911.53314 27757.68151 22632.12589 25744.8033 Deoxycholic Acid 34281.79293 8564880.576 5986248.772 9236640.972 3318785.449 6309125.915 7307810.862 86312886.79 6392568.687 5397991.141 12836992.71 8996743.39 5904066.363 3487142.818 4001310.228 35758825.29 15860897.38 18898365.04 7777646.744 6633854.156 14324837.48 3793583.704 3247335.399 5173532.897 7221726.769 5759127.615 9135330.593 9725023.942 14555466.22 9268606.822 12735553.74 10039366.17 14162804.47 1573564.407 9195543.013 8486657.656 4539538.444 12968747.56 3600965.465 3883115.385 5241844.233 11292471.54 19069227.52 19859413.42 24231522.83 5012881.521 2399281.976 23271205.64 5828068.652 9174241.644 5870057.248 9648269.353 12810006.42 11382785.8 6915514.312 15540133.76 13443033.08 3148019.191 26334337.3 3111251.839 4446860.763 18566297.59 13269902.04 14357187.47 11701372.66 14050333.22 2769225.436 11108008.79 5418402.245 13509737.94 9329851.812 5980068.438 11410450.75 31456491.78 32476736.8 3868509.008 15941575.82 13994395.05 11344963.69 3061093.392 17689162.77 7359631.52 9466304.746 273654.2264 34414348.79 2442371.042 21991808.8 14688978.33 182513766.5 50076913.69 44658607.73 14369977.45 8774413.571 7384378.849 12619558.16 34563.72475 28549.45846 6310470.954 10257007.58 13497968.31 9862206.578 1984157.213 42943845.03 15440273.29 12206151.78 21056052.25 1381391.654 5801294.867 5329309.381 14264566.51 50188368.7 27399196.53 13706632.2 3587622.866 6323867.569 8098888.673 12366695.25 7707961.26 5267968.887 6505114.53 14037044.08 8261804.361 8953293.36 29861811.42 19387995.86 3046052.533 8438348 8067462.031 6892739.582 3682537.807 8500361.221 1529993.47 9522342.085 14575243.52 5131067.087 25384908.88 15962440.3 12884488.24 7169945.871 3807735.059 10385046.2 4921948.092 15868020.64 15695448.2 42290216.07 42748493.71 11699039.81 6581331.225 3339321.178 9972603.947 16677352.83 24023309.46 3169559.95 10378690.34 6639162.383 18784923.31 10674879.45 14817289.87 43348.14143 12194557.58 15367820.81 5356079.825 17704807.81 15313099.73 35590542.28 21353494.75 8898916.944 9610815.765 9815599.364 14627124.47 22293814.78 40123.55969 31598.60763 38282.20841 31213.26109 35506.13279 Dibutyl phthalate 765004.4935 24096136.18 31084853338 28717705606 6649486.67 1099705.37 978558.3643 2997688.348 930382.3688 990602.7463 679673.0592 1125836.11 990430.0234 898396.0321 1083172.815 797351.607 835926.775 735680.5774 904348.351 1116929.631 707752.0935 837832.4277 2254332.039 1159179.055 938367.4345 32091754951 30250236486 2617744.882 864969.3471 1098522.631 548695.8885 769429.0465 652313.3946 892146.9585 912597.1066 782922.3718 955123.8167 1080301.029 1129598.753 2829854.21 1035177.761 765485.2462 1107227.16 1048716.212 728694.4185 28632496.53 764115.9926 1006440.999 32168817752 28483124456 1837981.539 918369.1159 1198301.555 5314200.032 4465450.738 1117588.219 949769.3091 1090734.323 878533.4019 957493.7961 114594629.9 1391330.076 1234061.774 1278575.352 851852.7619 1121155.928 3707226.128 974750.0999 749043.6036 1138932.835 1244475.481 31636606813 31013329993 1160008.697 1050931.081 857019.0381 948302.4448 789624.6432 951552.7239 968049.9631 1361288.972 1016885.521 947497.0344 86409780.8 778140.829 1023795.01 929650.6493 1212168.911 1095380.301 1388542.526 1290551.478 890200.8666 862568.4172 34318495393 29383227836 1590653.05 1039096.352 33109969028 29536127008 35659181.17 1383094.85 1225161.083 827818.6611 1298642.485 874745.3448 1090385.501 932460.4685 702908.0502 1581288.613 1158703.036 959875.5449 693575.7381 2115850.314 1143530.238 3197044.398 39433528736 32920033672 2982940.459 1181138.795 2903935.464 1008533.274 970862.9605 1301624.01 1087583.737 889157.1219 1270859.392 32671937.45 1534153.798 852560.5553 952449.3725 770306.8547 4936594.536 36583952045 32530355989 5742459.149 8350435.443 735994.279 1259678.563 1198241.599 1160660.463 1010291.792 813476.7427 1219974.811 1038514.58 999372.158 2869294.178 963824.7524 1046933.612 1315621.404 36749800891 34285904509 4936189.783 1180222.274 79029537.59 1215580.024 661837.522 1224546.463 2075786.036 89797.65439 907221.5653 1125680.471 6361025.671 1500293.686 1019244.738 915324.099 1553697.391 1293596.31 1028116.574 37501331848 33872492881 33037784.48 1621188.48 1130400.34 1493805.051 1078221.271 1211381.898 Difluostatin A 1359685.873 3725137.739 3836727.717 1688391.152 2726779.412 16394385.32 14801266.11 1828169.256 4945544.161 20632425.62 2579464.32 4853094.599 384292.1231 20861649.44 7330529.979 1490815.77 855034.178 2408261.799 590640.1694 1836019.284 6170372.462 1082927.024 2825093.17 1710210.903 2163482.17 3476289.932 1391518.904 4272733.221 1935001.529 2542349.962 2145599.617 2072599.325 892381.6994 2486666.706 4704946.735 624954.7759 22148161.57 9492683.458 2094563.125 5290680.146 6167684.726 2082600.028 1174840.319 1424450.352 895405.9287 18252719.83 2291389.577 15587959.05 11472427.78 7202657.871 7159319.91 1125196.264 2618564.587 876581.0418 731566.9998 182899.0276 323370.8164 6214188.396 4010178.764 909805.6917 7370777.552 4775773.027 6104993.495 2345247.003 1764133.116 18943098.79 1516902.639 3772002.052 2133378.441 23352280.46 1308663.273 20639113.99 11744052.9 8042236.195 1969983.13 9819033.189 2070803.809 344850.4437 2425862.708 2317756.406 1973438.569 11134447.75 4659629.765 11765496.78 7319371.8 390956.63 2102606.886 5955823.711 10803802.46 3796461.56 431641.6762 4282439.408 1823155.275 11795161.86 7461001.977 14621535.48 955777.4212 740145.4399 926987.6611 105228.1463 83097.17646 354068.4606 1263756.882 782042.2226 114499.8023 405587.4052 18852000.71 802582.6126 104428.5216 95028.05231 28583839.41 208490.3619 152017.1056 258428.0931 233275.3637 174897.1365 204587.2565 51837218.81 125154.7906 110931.3785 54552532.62 258990.2591 351721.4121 31056210.14 373883.1664 50003110.22 93951.91178 55031550.62 104881.338 117458.4693 420058.0711 32372561.75 457154.3649 365379.2984 351628.2951 150812.9338 115258.068 17879007.66 195614.4135 194514.5285 100513.4908 42365158.01 144866.7431 661132.222 16589285.38 82440353.08 133664.6606 104284.5677 116668.1915 194188.1773 199250.9031 104539.2771 241025.9432 99498.77463 21515232.33 105766.3729 104391.9598 25389662.25 71114.72779 113687.332 419664.1783 113582.6691 287894.4543 147973.7845 99088.88185 110421.0011 58068353.46 114282.0764 327740.6642 461185.4568 99779.02026 207312.3654 135228.4111 132818.2138 259045.2143 187466.6835 Dihomo-gamma-linolenic acid 641947.9478 55110934.42 120773743.6 158265136 50386434.86 61311807.27 44121383.6 83845154.87 49646306.51 53113236.95 39632235.09 99823923.71 70657320.81 17501825.92 67406746.58 37694728.97 42812101.59 42022029.12 63728236.18 107436110.7 37017470.88 66197876.7 51571391.61 99172089.22 55028871.41 131217301.2 158745523.6 68609142.45 68163347.19 85822575.52 29402499.77 44893850.3 33737630.7 58511933.71 57871963.02 55111432.07 27725195.36 63743632.54 76269318.95 46529611.7 54966438.35 34822855.65 126189662.5 63911832.23 42964935.32 56907628.03 39997163.27 53842073.4 123860898.6 148970077.3 27395770.53 71462668.19 88481508.58 63349750.39 63912752.96 84573243.68 73973865.16 64185214.42 39679558.56 55922455.56 73468313.38 109935787 56967179.8 117723760.4 58515894.84 67801618.46 56076766.06 55368539.11 39405981.42 58284628.26 88096251.95 119690278.8 158820177.3 48470593.79 84427985.44 33980022.22 66935465.72 52031444.65 79210666.55 66206986.24 130267592.4 57155377.07 45448584.44 141583289.3 36138909.21 73324249.78 47242193.8 67817973.53 40511669.3 35389513.26 138231089.3 45895527.54 42706384.54 139307842.4 156475333.2 1334784.919 871950.1339 133863743.1 163061779.9 71161437.26 85430106.43 88685246.54 48380188.75 48766494.2 66889971.57 43984807.11 42795010.7 59961292.97 153750845.4 124255116 44069145.8 45072682.96 75460097.56 113748737.2 96266235.97 157615732.6 181477978.2 53680057.36 63712975.11 87608006.22 46955703.9 64203530.7 33643071.49 43024538.17 64087670.6 41082881.84 136751362.1 77991546.77 58089885.6 50165230.8 41221934.47 62523882.39 146852090.3 180722391.7 47208362.21 47458962.3 39834538.81 74979201.63 103303898.8 65008776.33 97044907.74 29949578.41 76244447.59 80911767.65 62709736.38 32563487.72 78497289.89 74107050 88181914.44 149014264.4 193663728.8 39954129.9 100939048.4 51320484.25 73481036.67 48525431.66 94964739.2 51493707.76 85123.78735 81038870.49 78061878.05 51789890.91 62968026.42 61800428.94 61800963.78 115734046.6 66864370.01 88480452.3 142886697 175041555.2 77238519.32 971565.6686 948567.2109 930494.126 1034756.5 1016522.295 Dimethachlor 52398.81653 126832.7775 161936.1367 166194.9638 134502.2134 172806.025 164496.4044 157370.605 127073.0632 112613.2484 14650978.06 161816.9128 199876.8834 137373.0782 131969.0091 152586.1928 132737.704 131851.1239 135562.6009 138178.6862 119116.0931 140506.9214 122188.7101 164622.4212 232273.8069 177528.9453 248586.9138 11856089.59 137720.0807 146189.4902 173365.432 131454.5393 127356.5485 142368.6982 132917.0536 145594.3027 130503.181 153947.6354 151208.5766 134671.072 205948.0879 131545.7771 159967.7186 140103.0163 142872.4126 195069.9862 127813.5275 174191.9232 193403.6774 225318.708 142895.639 198749.1728 215310.8052 120762.9188 146207.3878 134078.1157 170891.4196 262439.8585 208423.9625 166622.2942 136106.9706 179033.6507 117856.096 151626.2608 116734.4513 139261.4274 146125.7327 30817937.32 124532.2961 189457.6637 180685.1029 197999.5601 208340.0315 224963.6196 21332763.91 124967.4356 151334.4806 20408906.77 188579.4468 129310.464 122144.253 263139.5015 192691.5698 256264.596 196176.0529 131144.3597 165756.6663 160773.8386 158456.545 142507.6219 154687.0326 295859.3355 137369.2133 226549.1476 204858.7365 66346.14079 52648.98826 185571.6798 187980.5411 127780.6955 140638.3215 162846.1079 143074.9848 168270.6151 162787.5662 129252.9013 131674.9918 123350.4078 182479.6657 171963.8078 180124.631 146914.5648 176282.9285 130445.9701 157978.3254 232642.0656 208489.112 228377.0108 194654.3599 148572.5691 130722.9662 155398.7797 170239.8318 138220.2535 151301.0334 175418.8816 149793.728 175279.3736 218601.6319 149007.9043 162284.7347 162589.2471 224264.0685 221243.2061 179158.8407 246297.1643 185254.9179 218739.2305 149600.2235 169985.8545 283499.1 142640.77 176808.9413 158985.5379 158841.6511 160593.2516 195838.5314 189113.0558 183236.5037 221194.0721 237120.4883 261998.0465 224494.307 185052.1775 286061.6473 148945.6874 151892.0343 191342.3592 57659.10203 181569.3014 151530.4741 207599.6436 237181.7117 153303.7045 190960.5884 161023.2703 351897.4168 218351.3997 244166.9101 248174.6534 166298.0848 61431.54951 84282.99346 55102.99896 56390.77564 107120.4564 Dinoseb 334960.3595 552817.1435 221048.8401 365295.7912 83214.54777 523538.1926 580212.9929 374954.978 575935.9534 1106955.137 803197.9365 530171.7079 390698.4292 994674.3003 1016904.175 670733.3198 153684.2779 430637.6671 260631.3305 88346.56889 904581.8081 3756181.234 451031.4944 170552.2133 454931.511 490377.7714 368528.8156 398783.0841 189382.1365 347713.9766 3004262.654 190538.7883 3193009.187 902838.918 195016.131 606965.8924 1100888.843 255236.1528 81924.58277 442732.1054 801076.6709 450709.2544 393556.9594 351634.0055 552525.3976 1540482.552 364535.0066 927571.6073 998180.8556 587143.7209 540534.4934 451005.9998 115312.2682 296482.451 225908.3424 633291.0486 538825.0422 524310.408 143017.0801 723608.3487 1912685.348 580073.4944 2375952.518 316083.3321 4933441.996 998945.2328 897606.5924 1736065.467 6088760.548 1051535.974 432869.1371 394821.5464 1451494.122 1044230.378 338151.0189 806522.8225 381205.5997 151691.1993 947422.1046 194875.0167 506824.7088 885317.28 506018.299 548773.9327 755633.807 5085944.721 403644.8632 570886.9165 115041.5761 754138.8959 262460.9829 922291.6514 478366.1124 383180.5788 558272.3134 357143.9452 1069155.595 715253.3712 617077.3543 562270.2576 3039349.021 432291.1055 399871.4465 365667.2327 618934.6807 609977.1851 331480.6349 223128.8993 1266770.993 483652.3366 193311.053 1238631.503 573795.8985 206479.1723 1129167.893 638243.7012 254125.5613 895579.2194 7440632.237 370043.0035 1042480.432 796408.0964 272583.7622 513397.9935 1455868.061 1436136.995 1082301.638 683403.7605 1161297.536 1069430.6 356535.2354 777685.5258 1178327.157 828523.5501 1714463.664 3912571.204 1437289.294 702792.7985 640224.1225 609520.3571 545300.8223 888898.663 1109443.474 769306.7302 375547.4079 624578.4225 651185.7107 303020.0719 762260.17 425465.274 474949.011 414839.0216 459399.682 579453.8703 428570.7179 1022089.739 770066.2367 1127439.133 111999.1277 1427818.786 441295.1759 820739.1411 1520364.313 732463.9 380858.3525 733761.6502 1120399.209 423590.472 1241128.035 737673.1742 582135.6738 92011.60215 119066.1085 121662.1359 112960.5951 205146.6176 Diundecyl phthalate 149787.7124 5866274.082 10123169.28 5590706.158 4038204.56 6633515.521 3019739.04 6657314.804 4850855 9457396.985 5542493.075 5707837.764 5479474.799 8310806.278 11232082.65 12569866.36 1244266.725 3755224.942 443029.4781 7993900.117 10057301.65 14841427.99 1073285.139 1114048.568 2162199.743 3093240.399 9104659.195 1650934.188 9003460.959 3044009.034 6701241.731 3938763.134 943662.2058 5185170.896 14318511.19 9910374.037 13799681.86 3137046.051 16376199.81 10568253.4 7504876.139 6130955.906 5537260.585 7615564.641 5759938.846 15409596.52 15567956.7 5267458.854 11796053.61 7898420.455 7488376.496 5285787.093 4785715.709 3234484.577 664859.1741 8261618.58 3885302.324 19090868.32 7598583.658 1513631.501 14724571.72 12733690.79 6874291.095 8587803.317 6747426.229 3437563.128 8768489.698 6767344.117 4028340.078 6834612.526 6160583.863 11448468.53 10015146.76 6595970.84 1394875.387 4360169.93 436922.5891 3815742.182 5791268.725 5012375.55 5976029.211 8238006.249 5634911.397 7156498.235 644103.5212 1336783.895 14050984.88 14449574.23 14608367.6 705432.7945 9530274.101 12261451.33 1840742.509 13579562.25 9558856.476 248685.0886 203052.1735 8988527.99 8555785.081 3613545.29 6952564.954 12145806.17 10802341.07 7761460.685 5804618.133 6486709.256 5994077.806 6722770.132 8427868.621 22307350.04 8513860.838 9128585.807 7449997.539 3610445.364 2684591.925 16321083.04 10438167.26 1275260.351 10853461.12 3642139.526 10843196.34 12255333.71 16084061.94 6779346.783 8799821.91 4365558.023 10391362.12 8758677.059 3803134.132 7070717.473 6514858.917 5520008.116 9680646.666 9667923.779 3361338.48 17290416.17 6518080.735 7064534.281 12843622.3 16612586.95 12032762.03 8865460.612 2185035.813 7062767.76 5235472.512 5103128.968 21567873.52 3641309.964 3553810.154 14285744.53 10563964.68 12734102.71 15028234.05 11555800.2 3978369.912 15278152.1 10797459.4 7437796 118499.812 5597272.107 3496392.382 9791853.502 11590082.39 18103361.69 5594601.084 7014403.796 13260834.37 17017327.77 15483851.48 11587217.36 8541139.924 362083.679 254598.2652 573146.0996 248308.2946 278474.7471 DL-Erythrono-1_4-lactone;Erythrono-1_4-lactone 7111637.929 11646087.55 36277663.81 37917966.19 15399521.91 13275547.29 10131087.59 21657443.55 11455913.67 15881381.02 18047144.36 7188809.889 13175538.44 11145381.59 18774285.42 11361322.48 16422750.04 19204335.97 13510178.92 17845185.67 17051066.12 15578147.31 14087861.01 15117513.44 19512132 36375572.04 36446902.93 14120951.02 17340222.72 19375361.65 13671053.22 16293667.4 14259376.81 14420763.55 12762320.91 13976400.7 13047277.3 14335206.37 15586851.11 13375893.72 14952269.46 16499045.72 16602995.94 16210860.22 13099171.01 18042959.66 15152456.29 17650626.29 39389546.36 39683814.99 16233729.8 19551489.3 10234923.37 18851476.99 22272647.84 27480097.34 22740717.4 14712999.42 13898196.7 16458107.74 19684673.54 13159698.14 16507789.97 19014027.92 18808992.1 19632589.01 13705065.43 22800630.76 16022662.22 14414279.72 21452343.42 49926423.42 52336901.8 13042334.1 17730174.12 19844908.21 26431813.73 15841884.09 12237643.89 22244803.7 16112396.95 30357624.59 14791715.85 20334719.64 18588616.03 19202429.99 23333628.27 19847926.28 21766036.58 26521217.43 21835872.56 17341718.63 19113433.49 54367910.85 52537583.41 4513292.797 2379107.261 45650218.36 56013230.36 18419336.56 13744836.92 16714372.76 21559315.87 16166517.42 12322344.54 18873499.16 21765054.74 17963785.78 14439707.8 15018058.86 16302907.2 21642677.37 18172922.16 22394424.77 23054387.75 46327548.83 45641499.61 17172852.97 22916649.6 23257397.46 18530652.29 14805916.18 29398827.96 19760654.49 17150354.59 19911545.3 15347370.85 22865274.64 17825384.8 18806726.35 20778184.32 15463040.72 56019949.37 56090327.96 20409022.29 22681346.08 25621488 28080292.2 21885452.73 24480724 18590576.83 21468655.9 27503822.22 20716139.32 20530577.67 17854542.49 19746951.59 16361037.95 20473001.24 58181456.24 59486110 35565022.37 9677611.357 23877419.19 27795830.22 22060952.94 23475872.73 20922251.25 17187407.1 20031172.21 51433784.21 28088127.51 23628747.1 21757859.05 18707665.77 21930871.55 20842331.89 9391998.486 72292070.33 78590364.3 26799890.21 631144.2055 738230.2288 666385.2244 3349502.298 806163.5728 DL-Isocitricacid 118847.7365 769794.0606 4854497.764 4674162.667 3950954.28 3808969.297 8573271.404 5648596.429 4139267.108 7217774.335 4894912.62 3890881.987 2582302.969 2361592.856 11985939.53 2677095.524 9049066.935 5048149.773 4882964.518 13218735.19 4658042.089 4477511.646 5499751.774 5027297.85 8711463.56 4906446.147 6157645.952 9238935.317 14412416.45 7078789.62 10039615.35 14181500.21 13811881.14 6829408.444 5379271.648 3031803.253 6087313.365 9817020.945 11892631.81 4740137.06 6575770.569 12887800.35 11274194.08 8310795.834 5045550.422 10042352.61 10380939.49 9125877.014 8827870.047 10321290.75 10579711.24 27728289.94 6954055.835 28083816.51 66755482.03 31588823.13 27981881.48 15200353.84 8927423.409 8547898.202 12151340.5 7145457.187 12881896.86 22621706.01 13214677.78 46596039.28 15568200.11 25776156.52 12251025.67 17683060.67 56512015.99 21739934.86 25157810.89 6265775.995 33869078.7 48034136.95 27854792.36 25106260.04 14518807.64 36325545.77 31627868.01 32714245.95 17351523.16 10533037.06 14106654.91 62895686.54 55014078.29 33517220.33 33797060.24 26764305.66 66592467.02 19772087.58 45502328.06 34036239.12 28463735.92 2595823.725 106390.4661 21526753.43 21241636.57 33076696.87 15822848.5 24078739.54 20881309.47 26284478.17 34087244.28 35698128.58 46160245.22 40515498.45 19969438.89 40607382.45 22762009.62 38149893.42 48232959.69 58223776.04 35205551.28 28437237.58 25273165.34 40874400.11 52891467.76 54619314.62 37533423.62 18380708.08 67682720.35 35496525.47 28264861.78 43689898.65 25702546.57 33088262.85 35384332.15 54524615.89 23043824.63 25551529 34734368.62 30253443.62 34498386.35 29411798.21 33725718.55 131093122.6 46816279.38 52528532.74 50165975 31834566.19 64107556.79 47357924.9 39749340.37 64164427.07 77016526.1 42250850.61 47294112.96 35894522.49 33004766.64 59325320.98 30981344.41 35939796.56 61886400.78 37263380.05 38058748.38 44924991.25 2046126.34 43016716.83 70606591.96 64838498.41 46889382.57 47350479.89 31432660.64 40263109.69 29080182.38 26412450.2 33910308.66 33527044.45 50076911.83 9180701.714 1694977.005 148359.7385 161089.2532 114487.1805 Docosahexaenoic acid 487193.0911 90918211.65 174658073.3 232910260.8 101693944.6 114206251.5 190236079.4 222945010 99269083.92 126496413.7 134100334.6 156497134.2 117273894.5 62584359.45 114058988.2 78371690.07 85844474.12 103088114.8 124511070.7 142444199.7 239566900.5 157704026.7 220400723.2 202397705.7 226576573.3 190025286.6 245826584.4 88676376.17 119058729.3 196052900.2 74593244.2 134519244.2 71306467.74 207660644.1 88242989.49 156045989.4 70254248.49 143203674.7 146696677.1 115641953.3 152667037.6 50563423.9 202211652.9 86316217.42 127704531.6 208303865.6 110329620 105633600.5 140542339 202356367.1 57127101.01 120818173.3 114485931 126974477.3 82244299.73 264651873.4 194640592.3 181019595.8 102075162.4 280201980.5 103865503.3 181673819.1 136729779.1 403600339.7 167278072.9 127465997.9 118419170.3 194630458.2 86534985.59 106616406 97841822.02 162422762.6 192422476.5 105149831 127753494.5 63143181.98 123768499 79167027.39 244954726.2 117064472.2 300267086.2 289541190.5 169844671.4 277323224.6 57267422.71 225174598.8 146506647.6 144966903 82492299.62 66217755.4 207441626 113109990.8 113396074.1 211790164.5 215611136.3 978744.301 716963.2874 214457854 254833181.6 112633129.5 212233598.7 212086729.9 76375815.95 73374585.07 212053471 125030203.4 109479637.1 104074996.3 389054540.4 258300407.4 127445276.7 162476140.9 198079583 234219710.9 282843663.6 270598403.6 307116845.5 72452444.37 351296024.2 194378525.9 79066820.93 116290568.3 587925496.3 149518137 119821034.4 131248358.1 257471475.5 281937350.4 225705217.4 415891706.8 147424766.8 321623485 240135636 241632835.6 144734332.6 94885362.98 93434566.72 106588277.1 234616811.2 237920118.4 332382416.9 205196528.4 470991907.9 139120313.2 120838775.4 85027183.18 155545859.1 158501051.5 175123829.4 256646865 267119325.1 270532462.9 153536279.4 93333007.91 111362593.1 144254219.8 305259475.3 217873996.5 76962.07272 469448737.3 204740906.1 318983843.6 209704175.5 157078325.7 124030421.5 231050574.3 185171827.3 152949916.1 236517917.1 309013021.4 128870829.9 760796.8156 857618.0753 841277.8475 935543.4891 870418.701 docosapentaenoic acid 39047.39362 1212981.113 311758.2482 1271988.569 546734.8086 1017022.562 2843172.325 12188280.21 1049917.944 1998690.448 882479.4143 956903.5723 869268.015 671562.7816 1817665.636 3254150.039 3813146.485 3177570.248 1157403.231 2014316.991 1603606.291 1129651.298 1364172.843 1289105.796 2811120.335 1085973.195 1154202.477 991864.1862 3531563.073 1739034.587 1965207.942 2857481.578 1745165.202 416558.7803 2836632.559 658666.1145 1319945.056 1938805.418 2855905.229 1374277.01 4746498.729 5229525.366 908887.5002 7877173.154 2783839.976 1147198.407 403352.2392 2250947.106 417630.5167 1422168.465 1749040.631 712788.3402 2661035.347 1659401.08 2321504.258 1849950.961 1557597.972 1557549.765 3668662.192 715610.1006 335274.3582 1651660.173 2978818.859 1421157.86 967091.8387 900655.5449 473805.6213 336220.7537 705027.3392 796560.1318 3537963.231 670678.6559 1427411.738 4119029.093 3055851.47 458412.1969 967702.0404 2047528.812 1717088.914 548248.5499 1151947.327 2097756.571 916965.3487 172276.4485 1363125.763 906573.3297 5135774.298 378990.698 5131495.076 1212353.326 6195158.383 5207525.803 1129147.898 940641.3671 1493969.861 45163.15077 42651.10383 1035144.304 1783511.012 3812503.692 835619.3158 371265.6415 4353153.801 3309282.091 2505391.547 1039243.001 407185.6127 1479547.524 1248671.301 3783045.69 3917422.072 3296389.065 3000994.457 985728.1106 558724.8472 1628648.262 1460712.734 310694.6343 2071684.98 909705.1426 3406640.629 3180235.27 6763271.379 4649528.246 2346126.145 686690.7073 2445779.852 1345016.815 1492910.954 1190592.726 1346970.465 911792.1925 1587011.179 2113031.571 1626936.703 1636518.161 2126547.121 5464869.618 2544346.918 678296.3659 943983.3183 1067501.323 2892129.006 1577244.244 4646413.219 2600455.477 1944122.888 307114.0816 1632132.178 656418.1143 1885959.278 1546657.298 1372856.45 1837323.138 1785879.165 3964983.27 1814554.788 1714006.763 104735.743 1131487.879 3033322.147 899082.5242 1559847.996 2888154.621 1819187.53 3257337.049 1446559.138 2595370.175 1311270.993 2319693.235 2157005.09 54001.63124 41361.22867 65192.50518 78596.62794 63713.69252 DOD 54802.23756 654172.3863 118790.5937 1956528.858 84806.08275 98971.11891 102774.4605 91019.554 93912.38377 84266.10064 4047772.363 92332.39131 106345.7924 82480.56999 79124.39642 86759.52227 422587.772 94740.98937 114299.7236 203222.7787 83538.86637 102430.6368 75330.04774 100126.2997 109014.6644 134072.1096 2013458.672 123250.2138 78286.57155 89073.44737 93149.74813 78108.87942 81529.38934 81747.91467 89544.27647 88005.69772 108834.1989 100045.6646 101317.7804 92275.87692 106703.0651 77252.22828 93780.81257 91421.51328 87483.02716 115469.2237 102841.4102 147643.5551 125940.0092 1994185.416 88858.43637 137362.4449 113381.5742 77089.51999 102643.0002 107983.6638 126604.0149 144998.2969 108339.3661 4835709.931 119176.4821 99045.31157 92162.04811 87135.38548 82121.78845 96616.27132 90992.57719 108763.4895 83865.75516 179674.1766 98617.6029 138076.9725 2447606.691 130240.81 84464.67071 87080.15132 87660.27468 160992.8145 103401.4322 92070.1834 92210.60937 97394.83475 109140.9395 188451.7723 126038.1163 85713.47647 172792.0247 114246.6941 171891.7532 89093.90329 114208.5579 145579.202 88684.95256 130674.4585 2202651.3 73387.41858 47181.6569 122763.3028 2271127.005 133307.4826 85926.96226 96941.06872 90492.62585 82075.53873 102435.1449 109060.8141 121201.1662 105147.5066 112861.1211 50484382.45 160780.871 96167.25151 124432.9469 109226.4481 157959.683 159416.2791 2830002.419 173195.2005 130930.6734 116861.8961 128500.979 91901.7465 131351.9116 108152.3985 118875.7954 109521.8975 146531.8129 121208.3609 132822.5388 138680.4826 317568.5941 135786.0379 149652.4334 2912448.692 210545.1532 154153.4567 130954.8022 124809.724 110613.4843 125926.8293 151093.4866 125691.9987 147675.6789 136043.4532 14991909.34 104336.4202 159538.6015 191740.7866 157176.9692 147197.4654 2859656.339 155251.0647 168139.3465 131169.0077 184347.3546 190034.9458 159455.873 181702.9429 67341.01497 183435.3429 138080.4089 177200.9764 221693.0887 167104.8681 122870.5803 156713.3286 195820.0852 150020.9048 165300.9119 2956912.888 1218562.665 113961.8438 62875.63219 50189.48984 60842.67913 70349.2632 Dothideomycetone A 27074.58655 9935999.146 362479.0269 411035.6343 7480146.108 7021423.656 11326670.9 13252108.88 9936594.982 8008585.775 10757753.54 7473980.285 11078508.16 8047811.316 7869658.808 7432129.882 8486169.338 12405797.37 8378056.288 9389149.268 5497951.837 7092469.329 8121034.419 5200677.973 12839108.43 324655.8467 377934.46 7585477.655 7783779.439 8349897.603 6655423.124 7801644.428 7190275.146 6142619.83 4406815.969 6745771.314 5374680.698 4713746.787 5656475.056 4408974.564 4043037.376 6292378.754 10148105.57 3950023.06 7190419.751 9027796.759 7448181.973 7845795.341 361764.2341 13689926.67 6347743.432 8191801.206 5512531.83 9036938.97 8169192.256 7011877.84 3509166.199 9202807.029 8786955.79 10695542.19 6990827.844 3367198.827 5518753.594 6685475.334 3523333.403 12017994.24 4741778.762 7907967.471 4349687.481 6175691.225 7018804.78 296876.1809 14599054.35 5343105.014 6205402.227 8764717.778 5982314.438 6196897.064 8100732.536 8734501.196 5627679.4 6590817.391 6357447.728 9277160.696 5705886.433 10012789.93 6050376.722 6053747.929 9026364.559 10738702.68 8022564.46 9479213.715 7347826.377 13013345.11 14834631.41 27297.24665 22547.38501 10114232.29 340937.7002 9270863.747 7062950.711 5561694.841 9608856.523 6830651.838 6175672.741 5169049.603 8296962.781 6630698.271 6321224.983 4864968.422 4871854.203 11354109.16 5863690.12 4659825.398 8566615.256 14146316.55 352640.7702 5295566.662 7380741.888 6916630.602 8169408.948 4645907.589 7832459.638 6220135.967 8284622.376 10553765.28 11550680.23 7714738.559 6197529.929 6995331.147 5714086.249 3533177.472 14898101.73 16263222.2 7993995.122 23040951.18 8342163.067 9864408.868 7519463.214 13401581.92 4958098.812 7184214.661 11388884.4 8948397.803 5943655.286 6781556.747 14666166.23 6839733.777 5098955.331 14895732.01 18666548.21 8350896.156 12296347.51 7157994.949 5374914.487 17257231.57 8080638.137 11814731.78 34234.87824 10455576.93 16718302.44 10973341.95 9222999.681 5520104.775 6180665.72 8061327.738 9034480.16 8543542.781 12586524.14 14818033.33 12070585.61 31688.21397 33827.39132 30233.97776 24651.16514 28041.52826 Ecgonine 113043.0059 6113576.925 2818326.637 3604572.26 3955387.313 3411945.028 5089585.882 6526565.286 4759072.339 3546473.095 6875308.697 4253888.18 4929350.257 7277020.925 4847860.931 4669078.954 4160734.252 6846699.01 4578734.093 8017932.848 3656577.722 6165260.369 4211453.763 7327696.924 3486415.064 2644888.492 3493070.374 4953015.128 4321557.779 4720122.936 5197057.962 4682971.997 5628493.994 2532438.808 7321913.959 3152838.332 4784379.503 6962996.874 3647344.299 3925906.673 5723894.39 3027772.115 3762092.191 3558863.895 3316339.709 6041968.726 4674486.812 1827000.232 2492006.793 3119178.368 5925782.008 3918567.725 4377943.724 5284857.633 4237389.219 8480353.717 8659118.341 5856255.73 7013996.748 3454493.176 4546047.972 3968802.049 5025333.495 2618731.444 4231845.509 5758254.066 5407756.625 4663236.24 4453175.08 6781030.939 6929006.477 3146313.304 4169850.52 7396767.671 9331103.902 4318110.339 3701815.45 9351084.882 4230856.389 3777547.867 3349436.749 3552885.721 6641707.146 6698499.454 1891589.506 5302484.245 6380606.801 4372669.388 8093751.416 2670500.895 3598518.483 5785756.594 5657254.565 3806128.866 4119600.992 91303.60137 85704.28809 3234639.395 3948600.415 3802919.836 5025003.319 1399026.443 4064866.337 4872183.564 3715897.639 6078929.708 5189623.931 5878705.833 4005850.005 5212061.808 6266623.613 1692409.483 2666504.478 3383307.99 7552700.403 4258424.663 4766767.005 5274026.778 1554455.164 6462658.863 5903720.722 4774475.477 5660845.778 5362490.066 6837242.344 6690762.405 3175857.892 5541409.436 2496531.306 2843603.853 4279810.069 4659546.369 4036807.686 4462637.786 4399459.664 3969762 6687202.828 6146079.908 7292949.469 3408209.738 4336079.244 5917699.499 4326011.275 6703920.716 7585232.166 5588485.333 4079477.606 5611628.74 5827359.42 3847899.569 4753735.011 5812676.255 2428983.308 5423862.395 8395579.831 3594670.766 2443862.317 4694899.578 71109.31669 5124633.385 5746215.746 1941052.51 6808117.752 4647268.593 4703649.399 4581378.012 3300024.311 3031013.606 3834285.503 4781506.945 9722306.462 163319.6138 103842.031 109947.3467 98749.48933 96038.45366 Eicosanoicacid 788863.2995 2994050.561 3852709.201 5370251.332 3451702.68 6143020.501 1920450.132 5248625.861 2928833.82 1688766.666 1710782.121 2522329.054 5157287.589 1104261.187 4186903.524 2738257.314 1833285.702 2393129.348 2566465.351 998022.613 1961145.329 3328692.55 7368718.276 3505387.173 9337052.605 5340328.937 4700367.98 2771394.69 2180482.641 2653474.289 5423436.446 4635480.768 3991084.554 1833758.286 1469282.383 3379080.18 840272.1281 1397006.42 2018128.937 2455427.106 3846879.931 1465879.959 4176039.565 1873178.633 3524581.598 3670276.358 1862304.595 2082096.754 3478811.25 4034392.344 4982070.755 4196720.123 5502953.367 3732943.695 2609614.553 5587183.814 6574580.522 5279240.64 3547371.539 2629384.334 2602641.831 2925112.819 2952539.021 4001266.074 2151376.865 1836739.561 2171534.582 4650051.846 2981041.774 4252322.817 3243485.311 4768142.674 6537486.446 2754596.982 4318463.711 1313111.943 2681987.437 3613510.932 4788825.679 5258121.198 5288023.522 1666263.717 2740006.109 3540701.892 2703544.945 7274285.301 6176854.078 3227011.065 3874165.275 1892605.167 4108730.472 1867083.772 3247539.894 6652279.883 5009146.751 954365.0221 2416836.436 5721523.429 5490179.526 8023548.353 7584739.74 7470234.753 4441934.901 2616104.266 6564907.949 4449661.324 1671943.016 2779339.997 12311566.13 8120728.728 2287450.612 8810454.118 2628339.083 3674786.789 9708342.525 7669853.09 6785257.68 6812646.46 15852405.48 3409458.472 7395958.972 4740654.753 11076261.58 2221925.13 6911408.477 5076345.189 7253870.583 2646525.011 9117805.166 7905184.501 5571628.54 3373794.568 7298107.512 7289265.642 6523106.802 7083954.738 4808307.741 2328315.516 9894710.466 9557520.7 6837277.557 1083705.561 16441580.69 8196640.29 2451691.452 1905919.415 3053346.708 4272672.419 6006897.145 7623716.333 7687120.484 6214439.156 6509355.626 3290756.663 2291694.827 6434609.852 3563728.306 11588815.64 75045.04512 2841968.861 6171805.876 11847561.07 4276275.741 9282950.49 5181424.286 5885290.276 6417772.495 3882867.086 4281963.856 5680486.993 4294319.016 629125.4269 836255.897 820322.6836 912240.2876 750918.6196 Ent-cycloechinulin 29707.29759 1423497.334 145226.3878 135318.605 937487.2977 1422405.931 1897805.792 6144222.987 2039700.746 1395079.403 1912519.079 2910130.277 2988234.468 456970.5433 3123831.763 2185978.057 1148942.229 905563.3514 1198926.83 2476687.345 1427338.336 1992193.526 1351385.571 1655979.917 1753001.958 142086.7812 137728.0827 1639577.339 1973805.182 701542.9448 2845770.721 2908790.448 1310773.314 1449643.024 1919823.253 2658835.329 1617329.793 1787655.455 2847738.365 1712816.874 1658200.453 1510086.706 1809318.808 1419494.32 2057891.325 469723.7739 1699935.198 1956245.457 145925.3587 160904.9075 1467475.51 3484415.562 2746835.575 1924905.213 1425115.501 2123820.324 3211274.332 4675010.066 1427825.828 1104053.804 2889457.523 4503362.672 3005845.659 2170906.349 1800549.786 2601803.19 2235375.955 3978055.092 1309809.049 3213483.006 475524.8544 155875.9504 168412.1476 1472489.498 2945274.323 1484778.952 1568333.12 1354442.603 4376360.883 1625428.673 1976238.389 1646805.754 1410842.767 698723.172 1598085.822 1631014.164 2178526.367 1898633.503 1583788.809 1500936.41 2424478.363 3058963.365 3956156.249 182978.1225 179934.0479 29132.56829 25592.89536 164300.5083 153861.8984 2261134.265 2505752.217 2693455.085 2020372.945 2279545.588 4459305.722 2419960.349 1927160.053 1588930.229 2611960.504 2378967.26 1877907.386 1824631.491 2468321.771 1752742.923 1409454.768 179435.7395 169432.1295 2104663.351 1714898.085 2125842.828 1813822.363 3170510.526 2742081.582 2624861.044 1235804.186 1083419.264 3809049.142 4046130.69 2828138.411 1633403.651 862154.4311 1650773.988 201640.7978 202948.7633 1491358.049 2377983.755 2124791.781 1923671.691 2101096.504 1580081.342 1970606.131 1274808.15 2873204.911 2438146.628 3534782.356 2593850.856 2092243.655 2574655.242 1916197.761 208390.6139 215293.4539 2322157.238 3933951.112 1202253.394 2567326.258 2548143.003 2566479.012 2145922.054 78853.0862 3270217.668 504399.6246 3504841.437 1402505.317 3147827.099 2302788.565 4143155.409 1909332.632 2782976.059 204877.9203 197631.7464 2408619.795 35968.39029 28326.27665 34317.72814 27980.83634 31829.14107 Epothilone I3 11892.17141 174381.9461 74113.53484 70604.31088 16339.23695 26598.93424 52643.30769 42427.40057 29458.22027 17439.8308 167520.7454 77472.33609 29584.54059 52804.13614 59312.9518 142156.6531 20077.24701 23863.79854 41840.96341 90320.58244 48136.74634 157012.5819 65925.80614 25009.60279 242776.0682 91700.44873 250061.6207 52905.72254 40555.1658 187545.6786 125352.9622 43055.26482 63383.68544 98842.67341 19501.89137 181396.8261 91873.40873 19674.91717 19527.61568 232966.8603 74514.99506 212671.1966 96861.53221 208015.9966 93022.4036 47597.90373 187397.7579 182398.0276 54682.95776 42269.29916 75247.27031 209979.7274 73439.36645 78938.25141 93222.98153 93370.60361 81606.86328 63959.37853 123500.4156 100011.8853 40474.87866 140828.3939 70313.70517 59715.97545 63690.61163 19349.88939 68829.15499 21752.5148 78087.61923 46668.12796 20327.5984 118380.5658 86021.27727 42186.48157 23025.23096 74381.40828 98155.08326 112048.1706 92782.67936 47330.64129 67102.46922 62166.34131 158620.7107 90981.49889 51362.09215 77530.8912 85088.42593 40942.31891 78068.67696 80243.49613 60628.30606 51654.38947 31163.95867 190721.7547 189462.345 9317.545775 8155.345112 47935.39124 76468.90004 71053.54709 97036.04787 57195.96398 96347.39444 111756.4908 55531.72849 40227.73822 33981.9201 45871.37381 19695.70467 19851.56124 83957.52374 89264.00754 53227.53157 67238.55756 67255.20333 117214.8289 132649.8118 54169.26776 83549.94949 77431.25088 50183.87956 20253.82486 20449.91533 74765.12022 85861.37258 91473.3811 80540.37646 67558.90513 102831.7466 30572.02974 28156.72967 20214.30864 112150.0577 63130.01511 62371.26655 114426.0366 93205.98284 73744.4302 182649.9262 110077.345 64554.45811 106834.7967 80082.10446 59699.65199 20037.38915 44337.50478 134540.1146 179208.1987 59333.65468 103025.9953 228734.6646 101674.4223 70656.38571 19400.62999 39552.3365 91274.55629 34173.15817 110158.9524 7025.321048 123233.3375 64537.60451 236160.671 81021.29729 23421.76939 71434.66727 83774.2671 47826.94961 71125.68024 96650.95976 119645.5133 50712.76898 16714.38538 7143.72162 10800.86516 7724.323968 7229.35878 Ethyl Paraben 111925.8646 7182638.086 7827760.255 6010030.435 10327806.36 10579281.26 3362345.161 7293414.017 3649753.27 3253854.375 5115119.668 7477982.085 5035533.956 4394873.939 7003085.211 5159602.584 907660.1969 7495893.336 3349504.217 6061076.727 6491011.337 4442109.552 6855763.617 6109666.04 6471447.127 7885536.403 6433003.65 7226781.517 4827598.172 5800450.229 10976397.17 5013325.045 4740973.319 11098271.83 8519433.917 8127869.362 6984429.91 6039387.573 6779019.173 5967026.171 5021576.01 5399609.775 7241403.939 8373757.899 6589641.384 7947177.064 6022872.044 10021408.45 7364569.182 7255142.787 11229356.91 14805989.79 4233796.642 3935549.784 3336807.201 7559337.769 10203449.55 12347866.01 5706378.475 9190379.808 8647996.87 5758603.518 11822034.73 4669859.609 3977728.278 5668911.927 4346889.521 7419316.23 5142245.756 6116129.088 5388572.998 8142628.25 6470142.379 6859060.969 8082732.745 8557877.103 11272783 9263015.433 7907002.272 7887312.662 2301585.971 5992340.045 7393938.899 16346694.32 9710005.366 3408252.936 6277941.411 13063955.44 6778570.633 57002656.81 13295761.34 6113811.867 3079960.999 8333963.092 6477782.813 214694.3899 197735.88 8727317.768 8676160.762 6400831.658 4671885.855 7077281.615 9713195.56 4522851.713 7603543.126 7078203.047 6194124.541 3563127.497 3939624.267 7999681.735 9074871.72 12331954.9 7226616.004 5135139.429 5517087.941 9841330.333 6775909.664 12933575.37 3886335.837 6568320.693 4398297.244 7581263.265 14648856.07 4625482.237 11178542.18 12560116.43 4995092.873 7374591.309 8040583.634 2735555.125 9631778.849 8079407.016 9502169.982 8984407.233 11995626.27 32801259.79 12106981.29 6045346.126 6163181.014 10533797.95 6442884.001 8495336.086 6994038.386 5197764.174 6998503.784 3735405.67 17634568.75 8126207.785 5748486.463 9073952.972 10091199.49 11126303.19 10784633.73 8131547.166 3793922.921 7423084.585 8508502.809 17190774.01 70837.45545 11446775.09 7061647.509 10442512.46 5945437.748 8742526.085 6841842.952 5608142.115 10007310.2 7108914.659 9257423.127 10803778.49 9072799.831 246926.8642 325886.7499 722642.0132 236061.052 304340.1548 Ethyl(R)-3-hydroxyhexanoate 106709.7271 5463451.093 7936423.185 7231374.688 2991793.363 5717068.342 4919179.808 13913744.45 8254456.498 7374493.037 11875924.42 8571088.153 2026824.924 2519030.58 6077306.28 4939823.115 18546231.7 6064020.227 6516483.869 8842892.169 4538944.363 8446221.326 8360049.384 3924463.158 5420912.69 8464172.434 7858166.105 2843338.786 5131190.805 4859414.626 5720227.673 2695903.414 9969532.048 8107919.446 10068806.9 4369426.477 8287041.705 3632373.376 2848547.8 5787838.784 4074871.719 12683386.71 3414795.423 8955472.111 22932625.41 6270075.225 13472165.6 8909437.858 6803671.405 8697607.018 8498518.376 2579133.144 3151967.759 3039325.371 2543222.68 5284252.089 15365839.35 3275584.343 14004667.36 6850925.752 4029552.703 2758933.134 5254887.115 9598718.638 4823963.325 6040298.939 4540091.407 17139842.69 4192543.474 4980830.316 4168331.966 7315536.826 7960068.832 5340850.911 2108416.639 15919807.06 2823697.091 6500052.779 6209994.919 9125209.322 10097508.83 9201677.258 9144003.078 24489711.58 12373196.2 6155556.453 9923473.928 7380579.801 25218162.37 2859951.67 10947160.01 4920900.266 2524679.798 11694524.26 8313089.006 176513.2988 191912.1486 9783748.35 9085882.733 9069490.179 5747549.4 5070523.743 10381218.71 2320633.002 6449898.311 5631296.504 15982719.91 6011515.997 3685403.869 4125383.163 4700601.827 17271647.65 7130675.71 22317520.03 12608440.07 12823671.33 10258033.72 8661130.902 5225543.256 7010953.389 6688368.337 2871723.674 4165336.419 2719957.567 4415744.702 5277628.655 6769311.209 3151953.336 7546823.466 3916296.417 10733519.88 4821447.011 14147213.73 10652987.5 7124580.765 19238496.11 8830859.381 3577700.63 9437849.753 7366560.914 2985708.309 4438205.489 9351608.464 5653880.871 6494439.574 2799636.35 5410999.541 5712199.173 5219093.061 14044032.99 10496175.15 10700663.79 3868474.145 18978941.92 7882696.111 18451144.82 9418335.224 22437052.37 71694.86801 9229998.866 12519761.38 21003918.43 7334735.321 11354598.83 9587681.123 5941813.882 5547789.333 3982581.986 15599149.39 23419687.1 8760202.941 123108.661 282197.541 138502.9122 390366.4615 93780.19723 Ethyl3-oxohexanoate 389387.1553 12574366.12 4608896.885 3029857.271 7337436.362 10490174.38 9912065.117 29502894.36 22195178.9 14165616.4 19256204.61 6728434.778 5374602.577 5753948.122 17855179.51 11228904.74 10884781.68 13281572.58 9926590.714 12066904.57 4455545.097 11785779.46 8004328.023 6821289.939 17061862.82 4293045.907 1980861.633 4095362.722 8886644.178 13425657.51 22737522.67 7920591.381 19250600.77 13209232.32 10608434.58 12143074.67 7787367.728 7029378.483 5802014.734 13667577.79 15364977.29 17428356.47 13594824.1 8565479.981 21772761.16 5789828.812 15979293.32 12412959.84 4654585.608 1971155.022 21582785.19 4104773.638 8716183.99 8240525.542 7070380.807 19971716.61 17757145.37 8594621.45 25550329.42 7675413.28 10971297.78 6227444.57 8404842.257 2990044.774 12520023.87 8947369.93 9347349.078 30059481.84 11313701.1 13831286.99 4845848.707 3450504.669 2164345.77 10176200.71 5260320.178 14903402.6 4722183.917 15957787.19 12413659.85 21227976.92 6535920.274 5416840.172 16358127.11 2788878.663 19582760.05 16629550.4 15696344.73 3527163.651 61608942.26 8385678.36 8510556.104 12533718.82 7591460.77 5899682.506 2730039.171 239626.4588 160346.175 4256889.55 3124967.521 29255141.62 14230598.44 14349761.95 47154903.89 6793114.747 15226560.21 8054832.053 20726866.43 14090070.03 9360128.896 9860022.549 11584189.63 38458130.91 9135936.726 29377696.53 17627285.66 5828196.336 3225723.139 21567657.21 13240273.99 13619707.63 20823646.24 7085433.625 11130979.43 7186617.073 8394560.314 22407033.57 18501857.1 7384384.673 24879112.29 15916213.96 19692215.67 11604764.92 5435841.035 2283930.386 29738771.49 43012876.65 23578233.14 3854678.701 14514813.53 21879040.8 7048144.257 14937847.29 34020718.04 14153676.74 15228416.72 10968024.31 10177551.52 11954620.27 11470534.86 5058198.24 2797974.442 25917572.29 11797713.22 22343282 15525439.95 23230023.57 9820646.43 25794739.74 81310.45082 10978576.84 16822681.87 47062649.38 5900849.169 20107246.28 14340997.99 14396502.33 12543547.37 9790724.076 6798154.416 4458625.464 15603983.41 561003.7848 304305.9511 324331.7436 215097.0365 321359.0385 eugenol sulfate 90294.84477 2293328.023 2436694.135 2660733.625 1222476.571 435653.8102 327180.7992 4509822.791 616682.7362 263521.3896 6766692.125 1723765.064 158371.4833 1224205.834 356076.5191 2281064.359 311939.6937 2113023.768 265417.747 267970.6589 2815145.345 1847856.778 198314.6736 1090462.598 90558.15258 1768666.113 3112823.799 334546.2463 775600.8258 320943.7953 12985722.02 272632.3159 3061549.95 2745354.314 881727.1644 1681168.658 1679153.41 737881.8341 320532.9326 2419445.757 301411.4527 893741.4054 1101886.861 294461.1053 1096598.784 1224793.138 457420.262 992033.6113 2460201.56 2469745.446 184952.9243 390347.8183 210654.3141 500774.6298 747907.039 371744.4397 306474.1007 1047333.161 279695.4752 7355092.485 5279367.91 2526352.935 1930715.117 253799.8275 442876.1208 637112.013 471105.3555 2963485.883 780014.2956 175077.9265 381681.4277 2476716.749 3195914.785 348859.3841 244085.0872 748358.6642 2797200.359 2508746.275 1450422.2 876743.1356 706657.3765 766536.5328 204203.8792 2015134.334 1942037.375 497744.115 964911.5068 159704.7836 1187441.358 891796.6167 838372.2739 675509.7408 737418.3153 2013764.488 2936217.387 105129.8292 135289.2555 2353600.94 2698812.034 363391.3581 2426508.903 208727.8641 5041733.286 732817.4954 426885.841 1178499.517 297675.6521 422636.0102 514078.1573 291006.6174 723481.0024 793294.1879 410345.5437 324156.3758 487999.5504 3800334.654 4073320.029 2032009.812 1543682.03 239809.2756 2409109.585 160790.0335 266969.858 1513202.677 2554488.842 195094.7504 776971.2248 5778620.832 257075.4008 652669.4718 1420722.569 162123.4367 2907063.372 3083050.566 455897.2306 151614.2738 3862808.781 259341.9357 389650.698 1514060.593 215347.997 4733696.103 345287.5487 2119309.959 834316.0303 346723.8813 11428977.36 1041728.661 431457.796 2730081.775 3526943.585 1073902.865 520210.3413 399264.1795 376004.7427 222686.3195 462026.185 589254.8792 117997.6545 140954.1334 19640950.08 2276426.028 10418816.39 3999991.548 14665018.87 1918358.893 275969.1097 354255.2546 2906508.69 4188979.38 2511324.855 108161.2308 101972.2341 89737.86431 132417.5339 89930.78924 Fumaricacid 1076956.011 3013938.428 5356432.224 5214280.424 2804500.25 2182827.017 3389690.527 9396174.237 3803005.956 4063022.444 2622755.959 3218894.736 3016728.214 2462547.088 5505897.417 2943917.876 4980633.471 4372023.481 3484163.595 3218217.368 2534940.558 3126061.063 3234828.288 3221542.604 3893854.81 5252865.88 4818171.435 4432245.225 4038290.808 3055522.858 3534971.556 3241617.32 2923330.497 2953876.16 2209781.638 2784582.59 3543613.388 3012088.384 3267241.026 2641612.661 3367867.513 3242464.234 3399464.367 3119904.851 2704978.779 2996984.848 2775166.097 4374729.968 4900524.647 4918490.864 2442145.075 11240515.58 1986579.641 4094378.497 4929031.098 4764515.404 4010238.608 5617786.961 2942534.733 3224351.948 3605004.394 2861016.731 3331753.082 4338815.31 4016041.636 5517194.201 2591217.998 3636832.894 2365194.349 3888270.696 4881696.227 6456189.054 6339700.681 2710126.839 4333148.11 3753327.63 3372269.527 3736914.89 4127439.428 4279655.548 3402104.125 4209568.33 3126196.931 4127374.457 3216335.511 4226555.322 4754602.927 3775333.436 4377301.363 3625317.113 4247993.554 2844547.682 5902835.342 6546211.426 6058580.478 1580659.905 1646886.905 5866168.662 5612105.51 3105565.049 2436639.606 4348388.127 3735731.972 4302959.29 2539198.698 3297004.024 4967753.723 3708269.237 2555026.829 3272762.227 3183830.599 4759706.212 3565445.453 4354491.692 3295993.084 6350255.686 5427701.249 3583513.981 5905445.681 5018353.015 3782959.567 2626397.391 4100921.438 3754861.52 2766527.023 4076737.468 3404085.292 3184085.408 3918205.968 4597058.623 3384649.342 3293875.717 6831558.704 6512873.025 3924728.618 5651038.997 4341922.922 5222961.973 3526378.465 4287118.366 3163463.631 3231334.399 5735117.142 4654534.138 3511960.942 5004246.881 7594631.19 3318993.479 3084678.961 6755120.554 6906601.606 9127498.162 4199275.491 3720450.184 3954663.165 4069076.596 3484050.741 4423834.29 4541691.224 3614346.076 6007412.354 6112306.21 3561055.929 4043533.433 2380988.26 4323911.913 3909781.105 3266481.924 7503728.831 7310721.009 5348056.334 382302.1984 390001.6608 336179.2418 360728.7985 527174.2543 gamma-Aminobutyric Acid 1842756.039 27338023.9 27046778.75 28558478.83 42293213.53 36039362.05 26366114.59 40169497.16 33478746.12 39577285.23 37476451.8 32678508.05 30623641.46 59146346.51 41246712.45 59964163.07 44450795.29 29787449.05 49575357.83 33729467.98 45504174.51 44209395.03 40967019.54 50476201.69 42686661.7 26915065.49 27456562.96 38738758.3 24027210.49 50910292.01 65882993.46 46197109.94 46032776.62 50401490.74 53425134.28 27400042.38 31138506.31 60221520.82 51326882.76 37516843.4 56557785.77 21779536.52 29675697.33 73050451.85 30839155.94 53419639.82 49426452.58 38464462.94 26320307.34 27564958.78 38077999.55 21817042.77 71029834.38 28046170.33 48480896.73 47672991.36 117671437.3 75424276.91 33120619.09 34149681.73 42158348.13 86643261.25 35713356.27 23661995.06 26617675.27 40149545.1 65871516.76 49817779.55 60416970.56 65852335.52 23450257.79 28405729.73 31172489.25 47500194.83 55169960.95 24174268.5 49246011.56 36461404.22 25198976.09 23325184.49 22857293.06 36574645.39 32178719.95 45949858.53 54730242.94 44575932.7 41439206.48 26332907.23 28412541.38 18452586.64 94764350.06 16572081.93 34389381.88 29461132.05 26489597.55 1132265.985 6005232.792 26577201.88 28066982.36 22620000.73 35389825.4 53310382.43 40671339.1 53329813.69 24376391.18 31361638.69 42437787.51 25594544.65 50548968.79 36482408.51 47477654.18 28541034.17 40163850.9 34942639.42 47655502.16 31575124.34 29747758.35 102053435.4 27914463.49 35357506.88 34286646.37 48526291.97 45181745.63 24167227.59 38375364.73 54235300.53 39124310.39 31139393.12 42799159.81 69395055.16 29233556.82 27740723.49 30808072.7 30887831.65 32035609.21 38311483.12 37333746.15 64375634.92 18922760.06 29626441.07 66144109.39 37876734.11 98304396.34 43188805.99 34311967.88 20603227.1 72011672.75 108914228.4 91656405.4 31130374.34 33030993.07 62728527.19 34168285.42 56189568.37 48441043.45 27744719.85 31001366.95 63052025.42 1143795.575 63158225.21 45326756.87 61204204.29 37421756.33 36861006.83 27065128.09 37767829.15 38587179.04 43228311.57 34022850.26 35653278.87 39572322.83 2222367.044 952675.7764 1084442.553 74234.38671 910306.7853 Garcinia acid 39239.1869 293176.6023 377818.9375 369086.312 668769.3785 208208.9087 1469657.168 2092428.989 2350944.226 1136333.731 1910430.104 1132292.921 693225.6409 1521301.37 2042887.337 1129882.535 2919731.661 3582149.44 873422.1237 832513.6494 1637689.451 2026799.062 2321189.59 332995.3434 2330572.677 321960.9903 402811.2993 660692.1139 288484.2839 1123836.407 737999.8912 3168548.938 3376042.655 3321426.531 425323.5365 1856559.098 2050617.045 1685386.89 806293.512 1658068.081 2229967.682 1989477.113 2677845.983 2594091.255 1272314.222 2013391.198 2240239.378 2256756.09 306327.7397 343705.6163 204357.2083 3724590.017 1023613.534 2643693.897 3033316.143 2634137.601 2889268.808 1518319.142 2222818.514 974981.789 4362489.509 537876.1852 149187.0009 2388826.207 3291388.984 2089605.845 1400169.529 3694039.344 1828579.308 3524541.216 366036.598 402286.9103 457600.6614 405867.0616 2878965.747 428232.3979 767047.2108 1993876.415 984504.0302 3534139.611 3510761.399 2432579.153 2573913.858 2917227.622 1882798.628 2256533.165 2392820.916 704170.4261 557268.9661 1881137.271 705529.5188 4248957.602 2865124.364 476044.6041 496400.3604 40032.56827 41539.33051 309523.4446 347682.8934 2770179.857 2454949.162 2311511.941 1936985.482 4260933.693 2329613.726 3047622.367 4199165.865 4006783.765 4139566.018 1816118.479 1063983.402 4919614.152 2570863.288 2732585.728 4133835.789 128336.7636 354438.0613 2535406.686 4324738.21 2879590.34 2574164.806 4848931.232 4698471.367 2380222.932 459447.2287 3217566.922 4111433.815 1684573.622 4052732.495 4433792.174 1190039.456 2047488.08 383316.1845 479514.1454 3713378.934 4090126.068 1117706.47 1421067.11 1603160.319 3279736.437 3362425.565 2877671.689 5977141.479 4031131.925 3145451.665 2478527.805 2723887.059 4974253.744 4378302.069 423104.5643 129027.0742 5657972.56 912475.2834 3445418.921 4977839.015 1487995.945 3443816.213 2367866.063 57043.95133 189550.817 4145994.021 3442233.883 4325304.055 4078060.969 2525989.218 4705532.377 2000086.453 2390363.458 275987.8924 763609.8898 301295.0015 56327.04615 40502.0706 50607.30732 36873.33736 41221.86188 Geranylacetate 72036.8228 8205709.908 9481903.693 9194327.936 11354476.11 18627868.52 14955798.79 14114374.31 13486094.02 24242232.12 8629841.912 20835762.54 14514963.26 5672696.692 22027736.58 10685888.89 6215760.819 4595972.323 13768284.29 14490244.53 18005291.43 13397482.41 11051857.2 22561707.51 12637072.95 10362720.5 9034408.695 17808360 21583422.27 16225719 6131630.208 12700019.73 9752968.588 11217085.48 10843847.09 13377824.59 12502269.65 14239384.57 22981918.17 20215646.48 13856661.6 14228802.42 19520824.68 17730270.71 10391375.41 10076302.81 12677749.77 11745180.49 9654865.433 8599089.524 16096171.75 9135824.057 17190164.96 8781696.98 14064964.32 13358916.74 11156727.28 23815505.8 12776371.5 10554899.27 17729741.59 27216252.26 11231252.56 23182026.99 14245744.75 18214761.07 19272417.85 14509366.58 13440796.86 10451304.23 18949404.71 10565399.27 10490827.13 12647912.8 12907894.72 10296988.32 17233379.38 7603569.534 13362019.51 18490243.11 16226119.58 18658562.26 14575923.94 4105945.607 7150418.485 20253556.96 18414228.11 19573276.45 21936465.98 8250542.314 28802371.36 10063204.22 15955885.02 11653416.42 9934104.581 113221.0832 674290.659 11448418.82 10273811.61 11110084.19 26805655.76 23831791.28 23365038.32 11454292.75 11075701.47 16157087.03 12689012.93 10174651.46 20926661.94 24910332.09 20118961.98 15015299.21 16039746.21 24635003.75 13573812.66 14738663.31 11491873.26 13170823.93 24659144.2 25191698.09 13609978.99 16765609.71 23901801.67 15187226.79 8639602.048 14924481.22 14736425.4 26818838.99 13015985.42 15657797.34 17784471.12 16027832.55 12705717.95 11458123.46 14540074.88 7152086.979 10763951.44 20312492.3 23547950.41 20222032.94 33111631.75 15578207.93 19504230.05 18750793.49 10029401.93 10006118.65 10778237.4 17051991.78 17035637.77 11707012.44 12044236.22 18234993.56 28238368.19 15129888.49 14710987.59 14667579.73 17977806.98 20378556.66 71080.40829 21299792.12 24866880.91 20307806.09 20145452.18 18763662.32 14759617.59 23563324.81 30047152.29 24417927.2 14161061.49 11296444.97 11580197.87 152226.1673 412797.5737 91363.67773 252891.4121 129859.2227 Glutamic Acid 410146.3113 122400569.6 316070767.3 320978924.6 94303415.27 136906269.2 62813717.93 157327974.8 117256430.7 84754198.59 67213643.22 112291179 115169079.5 87300232.18 73238387.26 122929937.5 335944172.6 198809213.5 139121610 72224585.1 67037210.58 63270852.54 74283048.14 178069885.1 56228588.67 319217464.8 335843079.2 67997196.88 53079098.37 101190297.1 162688102 138976922.4 119891392.6 74784953.85 187070018.4 118233039.1 69886951.16 109971195.2 100920207.4 78381712.53 124795742.3 48324209.67 95055320.04 85937937.75 100310314.5 204635754.2 87975205.31 65164385.48 280676024.9 315565338.7 101710026.5 133600408.4 201017831.7 80248369.66 71385932.63 118148076.2 170851727.4 189120201.6 56544600.9 159365284 119259771 55315276.38 120208303 89949537.7 101578497.7 106719878.9 101458976.5 147833334.9 61530410.36 165241855.6 99157457.32 269367869.2 364755590.6 73980418.22 156509013.7 82278901 113956630.6 152532150 145755131.3 89319925.54 110174706.9 69249068.07 100514686.7 254510168.1 136155964.5 63770531.06 40200196.61 94912687.63 62820750.79 86258140.61 82117816.04 139726103.6 59054109.31 236564334.5 311403174.4 928050.6189 392933.4855 291298141.4 309345315.8 170291698.7 77751626.35 186248944.4 96323274.24 82329250.85 60775854.84 137383830.9 110432855.4 90414011.08 80664068.33 98604225.6 136393209 71569218.18 75147120.19 92056477.53 94078408.17 241118807.3 253977825.5 78638939.31 37302946.51 88868726.3 68981777.75 141804849.4 84868067.84 61209854.38 218253428.2 41863557.16 51584010.45 72203270.66 89349375.87 75757448.88 83462195.62 86381625.62 232358900.7 316738688.2 52952926.83 150997423.7 86325902.48 143760940.6 58203795.15 58216733.83 54138742.64 60686973.92 129114429.4 103876348 131574170.6 56287359.95 122560272.5 216026346.5 100529163.8 204985588.4 287125640 142803799.8 148439066.2 136086817.2 88724406.23 51930655.03 107809307.2 80049200.2 66256.96138 57860599.6 309053392.7 91857147.76 85108673.89 72908820.72 116347088 89310208.44 51297207.99 110851317.1 243153459.7 321392988.8 222176979.9 228575.899 126912.4151 382227.9681 49118.97463 245446.7697 Glycochenodeoxycholic Acid (sodium salt) 57301.73977 26003273.44 40918530.07 46887516.45 5847387.688 7699168.958 34933928.68 84605709.13 3676908.286 20924709.55 18288454.11 5625780.956 2989866.836 19983852.52 6409722.975 12827319.41 36089130.28 11759454.59 20976710.46 8575305.048 13296511.79 50723662.06 28104633.18 18783314.92 10904828.34 37638907.85 47926090.18 39146368.36 6604396.803 8865312.564 10379311.72 3230098.164 14909920.27 103610480.9 6628048.424 8697537.188 12617221.42 9554150.788 1963394.284 9691699.557 5313067.925 50901359.38 6196306.98 54630548.5 12566302.16 11478486.1 12333212.15 10201282.79 37331968.49 41360689.07 21355541.41 28230205.11 7742757.784 21699607.6 14768134.82 12721403.69 12182279.18 6189623.331 36597147.68 6307582.361 2160010.52 6656384.978 22640464.23 4696364.576 56783550.87 9724605.601 3058622.174 22140922.65 4084315.443 11270377.46 12297710.58 33932395.76 41095114.47 10902691.44 53343910.71 80566523.87 18530759.9 16282627.28 11191652.68 112230558.3 35548491.09 8520845.943 2155553.593 11526270.18 21147570.8 10317927.26 56895085.56 19658673.52 14896660.43 19362355.16 40078619.86 41627160.25 2666430.636 33778079.26 33633162.13 62456.38053 57381.93369 30950151.34 36274803.83 5404903.521 3106021.461 2340493.681 6896551.131 87002949.01 3356538.962 40777547.66 886963.0509 2713435.094 3574343.66 12971858.07 16483620.66 8154839.451 77744880.8 21669148.59 2638448.686 48710567.43 40428583.57 25641309.43 3644671.58 1458821.248 4429658.729 7764719.342 8918695.794 211143177.8 2742816.158 1879042.624 11946611.94 24606395.34 2978152.532 2462209.61 4696892.69 750313.0592 36518552.31 40040269 2002468.023 32745143.39 2378063.5 10618525.99 11670464.73 14257802.76 15300490.55 7502244.88 5910993.61 36461257.36 19183547.76 7077264.737 11926487.76 7698917.469 386717.0827 36189882.02 39617578.96 25650889.77 2033067.002 2545157.397 25046401 20764625.95 22601647.91 4125772.91 95187.0354 56052960.99 2808642.64 12336139.49 2274357.897 5129478.526 12730531.53 27642686.6 10337917.49 7379424.084 28609473.61 31571634.76 18876893.58 124642.6056 112984.8958 60250.02111 113869.9636 59041.93028 Glycocholic Acid 98663.40772 9597106.269 17668422.06 20202736.19 4361589.026 5309284.264 14254915.07 90967057.2 3785716.284 6599673.837 8067503.744 6752161.556 4886897.931 11372639.9 2588600.892 5713973.784 21902197.63 20960814.72 3583141.082 5993130.009 8328163.109 31775817.08 13739765.9 6137324.013 2984769.504 16079163.22 20046635.93 9684478.954 7464234.893 1410616.606 7755287.564 1711191.835 12243871.36 135127041.8 4856265.942 6419850.197 6344256.516 5554813.903 1501826.189 2178854.934 5426219.69 52934116.22 11344644.22 12287898.15 9562889.852 11075204.18 12359126.38 4328970.634 15479083 20323111.7 10820268.61 31624207.87 4259411.409 9418690.381 8608341.186 9950396.95 7448218.105 1986715.655 17015761.55 6479753.89 1957579.389 4460200.635 7182171.208 4615354.39 44721973.33 5759444.717 1676011.497 12674657.87 1108365.766 6134767.059 5536096.613 16416495.51 21791988.24 4125813.864 10150775.98 89060341.67 9020300.176 7127326.838 16579414.64 101256929.3 30703025.96 8788404.045 2217963.707 10955874.84 23625025.18 3704267.807 15874715.55 13022160.18 12938469.2 12213487.36 16194244.36 29391987.97 3451736.053 16577375.9 19397478.43 160078.8646 96110.86347 16140428.84 19673907.34 3806838.29 1614114.646 1103655.598 3863881.278 15890724.4 2893095.017 27311032.6 981523.3003 2687280.308 2919455.908 3869943.032 4922782.413 12341462.49 39909839.85 16215221.3 1016778.948 22507106.36 21808038.57 23317025.6 2455080.217 3195769.421 2286835.289 3390703.896 5477559.354 45364364.74 1960716.092 765232.9466 8270065.002 11477151.54 3677583.616 4234936.16 2943421.864 922369.4536 17917102.04 20579459.1 2368125.233 22523605.15 4831992.023 11998328.27 18732993.6 18832523.69 5837732.593 8620095.025 2937080.569 23047264.73 9402037.051 5030789.543 8879563.307 13138757.95 393591.8804 17702839.93 22911182.67 14715416.53 2854028.343 661767.5799 17330660.69 49808595.83 20763818.29 2748047.243 99876.83936 7241576.31 2552052.493 9349061.44 1853661.594 9950880.96 11605949.23 4708605.845 2085064.54 8514886.414 15423958.84 19830064.63 10779062.53 157242.5681 110921.8981 149366.8684 182095.8464 141045.8701 glycodeoxycholic acid 49824.35347 21897850.34 33878084.2 38743468.38 5215536.565 7221383.244 28685043.85 70651637.69 3298673.327 17187376.77 13301317.35 6131112.22 2925871.268 14833034.95 5647355.859 11388542.02 33271395.88 10032213.65 16687256.88 6957787.931 11699309.38 45979742.52 25122220.32 15668641.57 9399259.187 32443965.86 38455017.27 31668054.7 6965904.134 7597771.83 8396402.667 2984756.126 13390457.26 98851038.01 6397155.052 7076237.948 11708251.83 10142959.26 1530429.423 9605433.172 4775083.034 45063435.82 5508084.806 45553694.5 12201014.9 8641490.431 11069920.14 7787180.235 29090718.22 32873987.59 19135328.39 24911628.13 8803616.488 22719055.02 13085532.15 11063240.79 10621995.48 5033476.958 30990957.29 5803194.768 1419319.775 7170598.77 22696245.23 4359312.882 57831630.25 8405702.1 3745425.327 20800069.71 4488505.384 9759189.997 12187533.53 28310306.29 34977097.36 10402621.25 43344072.47 78941565.19 15307574.82 18278357.38 10590477.98 102393695.9 35063260.69 7885189.553 1726100.312 11213802.34 18991995.71 11773094.44 49156728.3 17669585.7 15109045.52 15693948.03 42524652.21 30593858.09 2977949.194 29484699.15 33425492.81 54050.32323 50250.80878 27265409.27 32271601.54 5248318.593 3060967.863 1954540.508 6152365.869 76415936.17 3571007.587 38178670.19 750287.8806 2901150.429 4097959.076 11170595.27 14090980.33 8457060.719 94071429.84 23794765.59 1886416.071 33582611.13 36556254.19 21894146.13 3961875.762 1633739.217 4294729.897 9433242.244 13007585.09 176101685.1 3696555.23 1658914.15 11715096.98 18452769.52 3000623.612 2291867.391 6417875.288 859220.7655 33742161 37283765.47 2358714.572 26077292.06 3341538.736 9037946.33 12285899.77 16501537.89 21460501.01 7184432.37 6813359.549 42722428.32 21402829.46 5956612.329 12425454.07 10601795.98 381946.9678 34924633.07 40280323.22 26324070.98 3278954.204 4412690.339 27920178.78 28712470.1 39916916.85 5028035.957 87349.07394 67644514.11 3452229.034 16001333.88 3756918.735 8542412.005 20705569.11 24213962.43 12243426.88 14265804.66 34664253.95 38202976.43 29451860.62 66487.56124 53491.36115 47923.08234 65265.6081 57911.97652 guaiacol sulfate 104513.3161 62311074.68 45659303.59 57544001.27 33644472.46 51481879.04 34431559.67 73535412.36 46689095.11 59425426.46 33058698.9 34338194.88 11217439.69 9326993.161 35648439.35 40819726.02 79653089.57 61800905.13 68730686.55 105031889.3 52770251.72 126653924.6 95601786.34 69951741.08 168972096.9 38273337.11 54277197.84 1327837.004 90416936.46 65241433.51 34259448.3 55094750.45 113806994.9 27762356.8 55178758.34 6051296.708 33025261.65 86497581.08 25272602.84 17082802.19 34589768.62 133523834 33863890.18 52296537.23 53037588.09 94588889.14 8844945.458 24903903.89 38549229.18 50133369.43 29035070.04 10855600.7 12420510.8 64480805.37 28185042.46 97097260.4 25366719.56 28937107.48 78428104.46 48289396.37 133887306 18260053.75 66535587.7 4026715.955 38328655.31 13908806.64 12294693.42 14588821.8 12591006.43 33132160.99 82413952.1 36031137.63 53571609.84 69493354.45 51487387.08 35642766.43 4729821.973 42549921.51 6628737.848 5116445.238 36001774.75 15515531.49 27804560.01 13875330.08 16941496.16 13699044.85 61097970.93 25561370.21 21774130.96 10550852.64 74670387.03 33710305.41 15376469.73 34814264.93 45306451.98 147812.5923 156592.8683 33425770.27 45942398.7 38010514.13 4320391.528 647048.2792 109711041.5 23648231.15 86406277.07 57223582.4 147732839.3 47371470.42 40891071.64 46925081.04 39167157.78 21498936.82 33506858.04 93657809.32 16136947.35 40981273.16 48786561.08 67513521.72 48948869.57 222777130.7 40784176.51 16639103.42 63255576.33 23656047.35 32257873.48 30510237.71 33400612.61 21594105.63 96970821.41 40710970.33 26245932.23 12225435.25 36231455.44 48514670.57 16535364.79 16659513.6 138732008.6 24012886.32 39936432.64 31025754.76 10241632.43 5793714.129 98451958.49 61616068.43 14208716.67 76117685.25 332589038.8 16579949.53 33817839.34 35140972.86 49527150.33 102864716.7 23761217.8 14916548.04 96841362.83 15448301.08 48927802.46 35932448.16 136578.4082 3106051.394 154933737.4 40375873.33 18119296.28 14061081.91 20795731.99 35642800 23275629.11 27661670.46 36896154.32 49744891.87 50983879.24 125193.071 129452.9382 556113.0499 153268.9449 250168.0063 Harzianoic acid A 23086.86496 16424321.7 16952467.61 18151105.46 15723676.48 9720982.126 17111295.18 16682770.56 6061877.553 22464137.89 25442247.98 18462235.38 11811953.78 16063163.83 25225681.52 22649628.91 17411824.43 32745122.48 7726234.678 18500506.51 33034244.82 11771839.81 20002781.53 18209164.22 22228652.33 16632161.9 18315241.52 13184252.62 9120030.489 18217029.59 23569990.84 21722166.4 9070560.994 11046359.15 13120522.88 18569837.1 11578724.21 11711349.77 12617509.83 17022460.87 20021189.19 19975467.79 13536088.94 17382403.04 15273587.61 26844044.2 13202086.76 15187694.2 16629726.2 19473115.47 28677467.9 8513206.296 8593526.838 19698728.11 5965281.867 31476560.27 22856639.37 27258249.15 24816477.09 20179079.29 22729238.73 17233680.12 23489279.63 14601711.87 12750811.95 9328733.311 17010441.68 31712961.23 21638287.08 14016566.39 21847436.48 17649540.27 18578963.95 21935923.92 14667821.25 8446000.081 15225330.45 18983736.33 16078841.14 14966624.69 9845242.001 12125945.89 24471308.49 12754505.45 11410521.19 14004249.98 7807738.012 10435929.58 22469726.85 16618185.76 18371574.06 22961219.24 6744374.299 16886299.67 16975806.41 129009.5807 43277.6844 16328721.8 17352977.53 29239529.96 21112960.51 28771758.51 44647312.58 7072461.308 27930765.04 22113680.58 21733578.91 19626022.36 18142371.94 25307865.35 12406804.73 20736781.21 8795509.879 9718659.74 9096438.717 19594115.54 17499974.61 8817317.964 17413624.53 7977326.768 29596605.84 12192880.49 17496179.73 13223499.05 17389090.85 19361392.48 12817052.53 15461143.98 18610124.81 25168677.52 39517337.31 18682406.99 15884199.33 16185578.74 13951797.01 12825195.94 19341874.35 9621100.234 20118996.78 26736479.4 10889742.49 18923666.63 16846111.22 16017692.73 15236892.03 9251625.059 10849338.87 10823992.65 16126894.5 15949604.01 18239385.17 17751870.94 13449809.04 21609750.64 11291818.85 23433712.85 13473911.4 19220615.09 61925.25879 19311802.44 20056199.98 20590967.58 33120469.94 26242653.91 14200522.86 14208493.34 14911960.82 9042436.491 16091590.59 17518617.68 20263552.65 76667.36491 368800.7564 540159.4935 157970.5859 295007.312 Heptan-2-one 35720.4371 9957997.72 1090954.183 1421664.418 178495.8768 725168.7966 7002227.296 446916.9251 583670.4163 635711.3518 80509.10475 347583.4686 1721888.767 375487.269 592849.8105 472501.1907 505768.1365 605788.177 487992.8449 1224686.014 594120.0401 291046.1047 244073.7846 87989.05496 382603.2444 1006166.215 1706597.189 3370666.13 1580132.709 451360.0544 200516.9544 370362.0925 383181.1124 581343.8507 358699.7905 3114927.676 3510691.208 723273.9596 884082.6871 186088.5977 420756.1217 3488945.123 2274375.043 1186211.372 6435681.889 122320.9809 214777.2527 631118.0106 1409402.627 2053928.842 488265.8472 727121.1306 718276.5325 222804.9758 346863.212 606818.2208 2419208.738 388885.1147 135716.8436 216915.2705 357946.0473 518605.3273 741155.2057 306666.8388 258440.2029 683472.2331 2935095.492 2649087.188 855747.5698 375021.5966 936562.4933 1054811.82 2399929.411 1589755.652 691920.5799 284524.0938 1805711.231 726708.0475 863700.2609 288690.8149 163136.3927 227383.9274 28530087.52 404689.614 2060888.943 4810337.615 1282732.206 372438.1091 1516804.695 698106.3447 2545328.178 819476.9624 647928.6496 1590426.596 2422685.396 36014.20026 29747.54376 1303439.909 1885706.009 2218001.972 197837.5857 547407.6855 648012.5324 395216.6929 2099670.83 956802.4257 3055130.671 599274.763 514211.6757 340139.8085 2030329.644 825762.1454 629128.2125 1091358.375 1621709.378 1862240.646 2708088.615 1469052.031 539012.0697 2165115.384 18721340.77 737181.7879 288337.1459 410728.6539 518756.8971 3858371.968 752843.0964 1012637.855 1715879.542 189897.4007 452345.6204 1730440.989 2327390.644 2692902.32 484484.5972 860200.4729 594765.7681 10568981.51 648323.7976 1432675.783 880353.4774 416518.9431 1341866.385 427029.3827 131987.3142 2677068.135 616644.8771 2582319.002 1315482.652 1891488.369 3756852.118 2603512.059 814644.456 2521876.624 278531.0777 1374142.347 387637.8494 921472.5435 91653.78123 1138455.03 3708972.667 3483930.777 334932.1799 1046189.331 2572930.114 3577131.75 411723.3433 518703.1566 1671119.204 2945944.924 20282248.36 41807.35509 32924.65124 51087.83563 32523.13354 36996.15669 Hexadecanoicacid 123318598 1634033812 2378581999 2759413395 1401145706 2186401192 1929673507 2971863287 1772872563 1827044874 1081794956 2775511965 2332156501 723507170.5 1946566761 1332110076 1447266264 1373011714 1738265326 1996897275 1175166196 1640284910 1333557918 2651597699 1793497299 2414467350 2854091423 2034127725 1546290328 2376763333 780157794 1333539853 885136768.4 1878513892 1504971709 1425037298 1289939581 2151005961 2478293450 1611366462 1963077760 1143071810 2502676732 1917740174 1112444902 2291606809 1257115590 1404433943 2590626597 2833608241 1021556937 1617207766 3007570233 1584658359 1698744278 1731010589 1800412442 2708163731 1297284618 1364863195 2557459125 2907593229 2269214577 2928950920 1328373509 1832905630 1597822866 1997048688 1274495162 1879350220 2383362171 2624859325 3162892023 1732319862 2254851501 888315618.6 2106070068 1128859561 2141625107 1870588221 3080669789 1710382761 1711405896 3566244116 1302027072 1902024983 1522334616 2266724950 1539182866 1199433641 2547910325 1275443224 1393496200 2752445808 3089970845 127185321.5 351948499.9 2645808751 2993059275 1541115959 1893955952 2827237523 1412129467 1459634896 1823690778 1935454431 1172872088 1196299017 4439819473 2570724222 1316588155 1248214583 2009696818 2948130933 2625200139 2882985752 3203184994 2288381547 2136235504 1852449924 1371509175 2137115315 2715942574 1604411009 1887207247 1917216762 3963773027 2932386627 1547916053 1371543460 1404154910 2350665528 2870583800 3270274115 1135445553 1274271610 966498661.8 2069190574 2574548305 1400686928 2277573991 985250838.2 2586247467 2237454732 1785037125 1119764797 2057483362 2159650328 3178426035 2894931240 3459517271 1437864742 3084355402 1427784314 1982472808 1155577292 2802232046 1592624559 9310504.75 1873240146 2394563674 1744974469 2033460051 2145013552 1711405428 4054148293 2367821830 2241590988 2869929821 3190749077 2126923953 169142371.5 221489729.5 249997668.2 227303825 237219086.4 Hippuric Acid 119796.136 49134646.9 52583893.75 92584361.95 102552774.8 23803865.98 18444471.08 154056344.2 51769970.93 21405119.65 171925215.5 21883332.61 34145235.89 11277610.99 56623990.01 41573786.97 78213593.34 121069434.8 41257108.87 36139945.36 75928296.59 46001084 82841112.45 27388674.13 124786727.7 38705789.9 89219235.08 4881990.67 32054669.97 70351323.02 45823203.67 13165718.42 80593203.08 33235138.19 78581696.76 4457396.237 20652618.18 117156182.1 16476055.63 50505180.74 8931573.269 12081717.87 11866638.02 15150405.47 5245673.231 367480521.1 21750269.07 15391497 34369926.21 82992839.86 5383267.404 37420417.41 3896223.907 127153321.9 19579361.49 20093775.5 34882285.82 11056852.67 87663857.95 10064001.79 41469872.7 6732923.029 60214903.78 6266241.357 90091584.04 27350552.99 5558040.024 165668983.8 13637702.81 13114063.52 21235370.03 36375061.56 66541089.32 24498002.23 41504966.47 22937460.5 9003305.104 15757253.53 6387820.064 7363067.451 21843797.28 14913620.1 7837984.693 45672461.97 6985023.252 23636500.92 18425736.87 9075495.016 13872306.79 5319445.527 18697674.03 13104812.8 3343726.94 30526401.57 61157027.29 118411.8581 97991.15512 35232154.96 59491089.49 30604869.47 1856238.361 3154729.273 13818249.3 28856413.76 36649993.33 10239375.46 24048725.46 71251281.2 7719952.334 84554017.19 24109219.78 144163974.9 15330609.17 10003665.01 183127457.9 42152952.53 60897218.31 32060263.86 44878679.53 18458610.03 11311236.36 6286037.297 38917303.29 5697006.021 41430431.61 30636490.46 11217409.31 13967698.95 86879701.25 72144056.76 66407066.84 16245242.68 28420321.09 61645675.91 6006831.296 40397703.62 36049816.11 19053624.2 23780556.53 19787075.8 12994284.25 15885605.05 10460548.19 22277666.65 15104895.2 15937171.23 25075441.92 4040298.925 8187030.722 29580323.19 54260692.48 73717204.13 11606049.5 21591255.96 216142838.3 20541882.88 5872818.256 25763855.56 136391.8443 4576374.279 46169592.82 111896002.9 7099085.688 33131479.66 3760884.099 13013975.3 9402361.337 26005420.88 21388057.2 41855206.81 19783081.98 139943.4259 152034.3999 123950.2568 188722.5601 109383.9867 Imidazol-5-yl-pyruvate 218340.2984 4037298.063 3397725.079 4019084.333 4711090.265 3856965.814 4170256.728 6964234.253 3907295.074 4350323.904 5427886.212 3531123.314 3895329.067 5723786.738 5916090.09 4398141.314 9218778.337 7765997.6 4927014.81 6081019.525 3653171.468 3756925.579 4695190.773 6531780.957 5059595.274 3425596.381 4033203.44 4853221.533 5571006.856 6297531.053 4883033.094 7309158.805 5648334.277 6778028.429 5538019.513 3648662.348 4697456.178 6668585.405 5310771.332 4640227.927 4813181.376 6542480.407 4457692.66 6441786.883 5157663.78 5965372.162 3810063.514 4749612.493 3464165.742 3667135.803 4468734.571 4852348.567 2805279.674 6726427.229 5677512.802 8745571.744 9239793.456 7929255.658 4496371.497 4935219.437 5694554.055 4083115.446 7666873.142 4020551.296 4003652.924 5253333.88 4464191.345 6805121.543 3102922.194 5330174.842 8649788.455 3614945.162 4383979.056 4274764.025 5034905.862 3926709.158 5247370.913 5309269.136 4558947.271 5770770.953 4104992.86 4402692.615 4617901.916 5058853.39 4312191.147 3585650.926 3739701.529 3626516.236 5025399.896 5059159.445 4889974.045 5229986.783 6030806.137 3788921.607 4149334.899 315000.6759 213623.8918 3319133.848 3890404.167 5160860.542 3017648.678 4675372.326 5043224.181 4377657.971 5496530.732 4926507.352 5217152.158 3890758.211 4444611.693 5555162.599 4021099.065 5218521.287 4597057.697 4470764.474 5103866.398 4354265.105 4376680.188 3276297.876 4560292.741 5400505.554 5639335.427 4406570.124 4648804.925 3921095.027 4628586.996 4242047.761 5348153.433 3878359.996 5400648.916 5130194.108 3898725.259 3901928.877 4140070.822 4541704.552 4887443.596 6122904.95 5462632.761 6407548.162 4688400.869 4506239.23 3439733.232 3714096.466 5939672.382 4592617.656 4843140.566 3956287.509 6945854.736 6146642.265 4891958.726 4060976.927 5000945.241 5869560.769 3354759.806 4840961.499 4673207.002 5672004.696 4960596.691 4986673.637 236752.1313 3588766.473 5071523.791 4794518.897 5820443.282 4690292.177 5290336.793 5518316.766 4752158.001 3064166.741 4616085.23 5388366.198 5702933.333 248521.7317 336621.2975 345817.1716 323771.9043 315788.9898 Indole-3-pyruvicacid 63877.37833 6055126.767 160765.2337 169175.1948 10128972.38 5589749.515 4188215.163 4965286.907 3910380.98 7689433.96 11331276.84 6530744.765 10183013.76 10890852.98 6511093.72 11408290.65 4272078.096 7404692.546 2899057.109 5969211.842 6588430.523 7987164.246 9536541.512 8492212.001 9695639.62 171284.1063 180145.3612 6903230.561 3253076.938 6742680.174 12404875.86 9691616.729 8179315.745 8078023.8 8582845.697 13831278.43 4313632.594 8037164.043 4620244.369 5508662.032 5231823.333 8584306.808 8357873.647 12136811.09 7987694.189 9943093.682 4702651.201 11116980.3 171865.8252 230729.8918 10246907.23 4747197.306 5320908.832 9693389.322 5441769.758 10318004.13 9571362.966 18715738.29 10872777.51 20008407.45 12326841.41 5635150.726 8025169.94 5890263.274 9932158.021 4437862.126 4613761.592 12895966.33 5913853.865 6015760.59 6229773.595 191037.441 210375.7294 10196884.57 5351024.566 8634191.6 14394069.18 7755213.629 17262249.79 10306631.37 5232978.32 9146571.304 11398804.23 11576383.18 9695398.489 3742991.763 4233311.648 7480838.249 11034121.49 13549579.03 5623821.506 11119684.92 5724094.209 187302.8613 237635.9544 69122.76256 54994.84478 171562.708 174084.9807 14064978.54 6495792.476 7634476.551 14801034.43 7620880.605 27530503.88 3856251.011 11855553.68 9021317.489 8695503.093 10310627.3 12277565.28 17078420.18 10010006.77 3973369.785 9527915.09 225717.718 198437.6065 13988155.6 12849061.62 7397560.952 9300628.824 7111643.26 8622251.045 8467311.102 14121471.36 15802581.37 14512353.73 8613836.719 15252986.54 13239504.66 7040921.408 7525620.736 203018.4102 200454.5561 19517640.93 24174807.63 14449571.28 7085452.933 9146469.353 13480537.38 6562851.62 12812847.74 11801405.54 9820971.531 13405873.43 7515944.588 14663993.66 10338507.04 10167080.29 327589.7284 223583.1513 23099530.85 13673808.88 7680686.1 11170526.39 20298323.16 14002182.72 21634334.86 102436.9643 7803913.058 6195478.801 14842823.94 6666343.679 10360447.18 8733637.396 8081450.676 22199873.95 13637153.29 216625.4687 229658.9662 8229736.805 132833.6969 86307.10751 58500.76883 70449.79087 81998.96028 Indoxylsulfate 281619.589 202675614.5 245063630.1 295351816.7 99083849.51 216054580.6 186565900.5 876413529.8 210160693.9 186544880.3 276741500.3 207278611 198833665.2 222144479.7 237598205.1 467753367.9 377534351.3 679030451.6 436496653.2 317396259.9 292945510 138701170.2 211013170.8 120544758.9 366748573.9 254751673 319531417.3 118637421.5 455209153.8 226789625.2 166835586.2 243164834.4 185584596.9 313552750.8 392159906.9 148086550.4 254270005.6 420984101.6 102725185.7 196376964.9 276209954.7 391812765.6 445098808.6 398803454.7 433333407.2 296825849.5 7195362.831 527409626.2 258689965.8 281374591.4 251237635.2 429261671.5 129653637.4 247260039.7 321531713.9 1080273430 656618545.9 426994785.6 581432557.3 100897294 340049091.6 121813265.2 96720633.21 180652133.6 115177421.1 222577166.8 130927490.1 240036756.3 332712260.4 308120486.7 313610965.8 255713494.5 346213822.1 427861795.2 258123461.1 285858019.1 196414850 187955658 167280444.7 87677502.86 356593972 229981893.8 197396334.5 107203154.1 152859035.5 257777276.3 84460542.43 293749049.4 409664824.9 513025980 297857316.8 578288325.9 195095511.4 281734143.8 319378894.5 500143.0529 108443.5522 279707205.5 319146094.5 447399110.1 53754201.99 66051727.75 538641432.1 378998480.5 343564991.1 607025993 139808173.2 216846277.6 69340553.59 228127401.8 331402918.3 438234545 279563375.4 433424175 280117782.5 430600564.3 391785443.7 529943584.6 219573877.6 582874191 278587549.9 158269026.1 300038629.8 230411293.8 409686874.7 91940599.35 215219744.1 87391363.94 362245047.7 203263761.7 357703309.2 235543524.7 346753335.3 381972675.3 183069368.4 197152066.6 488215861.4 518378096.2 465357091.9 193970930.7 140655334.4 247742006.6 435636964.7 388605458.8 250581839 376158911.1 980687942 117374967.6 208206271.7 354404479.1 425507976.6 233329776.5 153023405.4 376903886.9 383664730.1 524011594.3 244990997.7 644706060 125222.8884 108924228 337274431.1 283756695.8 209598789.6 232589396.3 200538075.6 242529928.5 244494930.4 295465065.3 344586021.3 406137555.4 259201776.7 146973.0528 137159.2841 412769.1132 135076.8879 116400.8166 L-2-Amino-3-oxobutanoicacid 3757363.138 24242330.6 14847283.9 15926144.94 43254528.69 7063106.669 31189273.66 26187840.23 15165617.35 14573108.07 21845371.45 27930351.9 9191827.853 29109156.29 49346649 10179547.83 17100868.37 17793853.25 23514298.03 14671221.69 32672921.47 26995224.49 50859501.93 18084766.99 59782357.03 14416305.91 16836435.91 34178285.24 13955234.15 10558483.64 8711408.609 24754492.9 13730061.97 25114319.81 11940151.87 10201383.57 10291590.04 19335806.65 9809562.495 12131114.36 20157726.16 15411693.59 29946517.54 28634687.92 26483156.8 22000537.55 14671996.02 18614207.88 17201410.61 18530701.41 13407454.71 26668448.51 13940874.45 75095929.36 20487983.75 58720191.8 67063311.47 18979897.91 37201857.17 15989313.39 40332793.48 21223359.02 31266153.99 10372164.47 13412794.7 54336819.6 62621673.81 16041646.42 19806726.49 33156932.9 23698015.49 19197398.91 21842994.52 17596098.79 21780395.57 58536315.56 21773294.73 17642327.46 15721633.11 27102663.98 22900327.42 63180565.91 35224233.82 16829543.33 15759255.37 14221081.72 28729681.22 30464786.25 23260597.59 12869803.95 23972014 28047820.22 60588475.06 21689994.72 22247489.36 1636210.2 2762047.66 18313825.84 19417520.25 21203189.69 14553227.33 26605963.34 27324637.94 25098518.63 17773949.99 24726857.05 34695610.17 25399645.43 39671851.2 19353988.86 17194317.53 14587819.27 35505608.03 38902267.2 40114478.03 22029522.06 22231894.8 116095842.9 26700689.29 34065698.75 34901754.03 17258642.32 19545700.75 20143035.25 15893350.69 52953517.18 21643822.02 25400575.82 25604497.17 12186664.79 23527521.97 30148520.43 24078326.56 24894149.6 18990841.38 168573471.5 20063110.6 46669480.58 28487101.4 24076130.98 64508534.74 32038246.34 49657386.37 22499559.85 15590201.72 27825653.43 69627303.75 86083020.35 44069973.88 25061889.73 26950974.01 28370828.92 6441557.392 32503996.87 20287569.02 41653194.31 19293251.84 18321561.18 753998.6313 26358236.51 42647743.74 17842696.58 29808917.7 15851303.21 14856003.67 24938746.59 34709611.46 6780525.224 29786113.21 31143598.84 52794635.02 630104.0723 904119.906 966845.3833 941057.9836 914510.4404 L-Cystine 1290748.452 1506363.183 2576617.423 2965347.427 3395290.752 1971758.905 3056057.942 2368312.47 3884426.168 3060019.328 5339153.345 1796906.317 2834127.24 5934795.75 4376476.416 4145654.505 5319872.028 5040799.913 4992143.471 6609014.54 2166857.859 5491799.567 4465989.719 7759075.648 2715801.914 4309047.3 4497699.801 2245667.79 7767140.688 8346227.952 5575207.336 8310646.141 11162956.44 3247555.033 5109032.39 3214768.652 2057884.646 9579606.593 13651756.54 2235590.54 8694961.225 3538622.585 4705659.244 3764661.444 3725515.981 6727930.782 5555877.762 3499163.356 1309255.383 1740473.16 7372099.482 2926262.454 4922373.956 18933570.09 7882294.953 16799683.1 20063899.26 4789479.089 4634208.659 5454859.797 10908752.77 5015118.286 8506925.469 6586740.154 7668790.741 9508021.265 7493547.527 13167194.28 6536409.945 7136304.003 21796099.37 2811053.915 14245156.04 3101568.547 7797730.538 16120758.44 16612707.83 8337046.58 7283971.997 9345426.171 6846672.525 7631646.607 7688031.321 4716762.684 5916737.674 8936588.946 7750893.923 21710232.13 11381877.04 7779863.558 13899198.24 7943527.398 8309136.155 3893066.254 3891627.076 3750357.573 3209898.171 1735811.954 10810057.43 16656313.47 6575253.826 11042067.24 11101067.96 10861314.8 7009943.681 7359366.241 12303926.41 15560952.52 7739851.114 14068454.8 11391746.94 8153804.251 11090073.38 11379908.8 17834100.47 2520309.722 2404148.291 11853084.79 8525883.065 13066216.69 10708737.67 13313596.33 10442596.75 10834486.98 21903507.17 10734925.51 7783732.113 15384179.49 11340223.26 9498871.495 8509415.307 9252178.07 2612297.475 12922203.57 10969503.73 13141911.36 13536943.94 21839501.96 9346169.739 13433739.46 10457880.01 11635155.87 17302715.45 22543908.24 16904617.95 9802131.024 11239465.38 16794822.93 11771319.03 2777465.935 2702080.922 15479991.68 13097383.19 12768927.06 21095023.66 13069416.17 14013068.73 7536946.473 108838.3161 12979570.04 13627511.6 11526261.01 13561555.65 10622706.02 10570234.16 9618474.978 10301190.24 10104586.18 2645021.337 2661859.601 6190908.731 2236113.226 1509222.336 1526778.929 2863627.824 2794895.768 L-Isoleucine 798996.6662 610598617.9 639398720.4 700675794.9 627265975.4 862583525.1 524373934.6 625630284.6 473747529 585626583.8 776429559.8 742784584.9 859645521.2 941958775.4 625551650.3 920029923.6 973503818.7 718299505.4 833427769.7 796182465.5 747872829.3 475114509.8 558857543.1 741509654.7 597740280.3 657499314.9 738170149.8 587893461.7 624650359 976652134.6 962473298 626089481.2 637893079 859437610.2 935867989.4 835008724.8 762729669.2 747135337.6 815899122.1 939501848.6 663609767.6 475154773 680356394.5 826626025.6 646210090.9 1063369861 713530894.5 703464578.1 674015273.5 728619318.6 654334527.3 869917983.4 1062477203 572823397.6 662403611.5 942840281.9 1295613985 1085527690 653001946 914907971.2 709387433.8 1027283208 683105756.8 595401723 580304083 722022538.3 920917995.9 909734927.4 717339581.9 988682696.9 610378717.7 726757472.1 822834705.3 908690533.8 528592011.1 578060246.6 1022183743 643813967.3 874989919.6 649333418.4 508417645.1 606783005.4 763082287 849140338.1 898213899.6 529196859.4 709684486.3 767971537 622173841.4 759213770.5 1177367639 801688632.1 697707261.8 749380948.1 775521349.8 3518370.746 2543872.778 650537077 750210153 720047802.5 610354457.4 886709891.7 844399368 777740183.7 673702143.5 657873259.9 671132281.7 545040973.4 707747623.6 666909263 1123860085 759763722.5 621370686.4 654824462.7 830054972.3 855402067.8 821636422.9 1547910432 638526770.3 698836954.4 624738022.6 999565214.7 675483711.6 458982825.7 1168880596 603267334.6 641030913.5 753313571 736022488.6 708473255.8 669510644 588313416.7 845104729.4 865429353.4 769622077.2 980652269.2 934983240.6 1111230136 694035698.8 750783144.3 770970544.5 773096987 851378503.6 760337152 976200675.5 609097272.1 1012491940 1177336182 848921354.5 857132709.2 943285147.4 1242553593 1344577765 578020154.1 775143319.7 784411518.4 761131777.9 998390224.1 3178157.346 820673722.5 749333670.5 829916667.8 498857062.5 895934147.6 686563361.1 519405339.8 598154893.4 1114038271 575373135.1 797952164.7 742351774.8 1580499.561 1113402.613 5350990.518 1546976.24 1040715.166 L-Methionine 158097.3658 64195852.98 69998333.55 73876805.44 56081375 65672158.01 56598044.72 66375668.26 59907027.66 57119111.42 95679501.39 59505685.84 81417999.24 81152586.22 64773184.39 74204599.13 72333367.56 78680228.35 45089297.29 78141020.62 101426011.8 79844379.71 68765867.91 67214011.76 67709200.51 69935996.04 76684491.65 56044172.33 70406547.7 60376630.41 123498818.9 59145468.92 79831199.96 85157632.7 70131406.64 99471598.73 79201080.84 52952436.14 68751807.13 74340848.69 57153812.94 61223705.61 84302195.95 67749445.58 70288891.24 69571672.06 89282735.61 98095780.5 73507191.05 74793710.51 72543506.58 60095161.32 58434349.72 58997237.7 57706920.32 85085256.86 79842922.25 71105709.43 66946778.06 102387311.6 70487214.86 73365243.83 75309974.07 64975099.26 68233883.46 56570418.56 63206917.5 85022739.95 75458181.55 61820708.49 59574398.87 78124743.69 84985502.31 77225008.8 61141297.62 71819019.86 121586166.9 76363327.61 69685871.91 54541001.07 50185888.96 81781671.09 76027713.16 124840738.5 115826502.4 62853774.51 61674422.59 84621220.4 87136559.25 90949160.09 73597207.22 105649330.8 56751626.85 82344020.78 79716334.2 134893.7134 128265.3397 74779205.33 77947400.5 82272587.37 83279287.03 85905991.76 113178060.5 85051317.09 83071816.91 67159847.42 80212876.19 65765193.64 60983646.05 93620975.7 83677480.83 95801186.92 76517942.14 60430455.4 96104549.12 95638178.73 86044566.21 59634457.71 80835137.08 69526678.91 63986064.67 81377369.81 98253340.56 63322560.85 98602985.27 77508641.74 78898483.94 94907010.43 74497439.17 82671449.03 70595177.82 57340014.07 89378358.36 88712594.09 95407274.59 113252586.4 101085337.2 86042600.27 86908995.92 89581269.28 120143439.9 115530617.1 88131709.49 76863177.46 103064238.2 98911006.71 84197911.83 67602262.59 57358816.64 90054327.57 98434476.58 142180430.5 101940330.2 92175387.88 83224618.32 81611370.31 70636767.78 135726685.8 80348.10273 92487817.19 111565110.7 93715506.57 104158798.7 84774270.71 73107058 56341811.43 109067464.1 84852053.01 95753124.93 98670837.71 92455772.89 147170.0734 196944.0162 149741.8594 169561.8003 132064.7143 L-Tyrosine 371066.8936 175409915.9 206014849.8 207546215.5 182177996 291008792.9 139591116.3 252769350.5 184940402.5 109641521.1 212338929.8 207303044.7 255415109.4 261175511.8 201769640.5 252335273 206907609.3 329254312.5 115247126.7 223919793.2 254193236 258539569.3 198589588.9 265001901.8 176535486.5 211175508.7 219068728 159050729.7 143912807.8 200367462.8 458013532.2 186633689.2 236676034.7 214238566 278316218.4 288694644.3 205037532.5 232182109.2 194028066.9 249006067.1 192404775.2 163398795.5 167025857.8 223108171.7 194905666.6 267474544.5 267394010.3 244576375.7 217691157.3 217055701.6 200032607.7 305278857.2 162218112.3 169542050.4 162081730.4 222025272.1 225250421 136699380.7 185059687.4 373613037.2 267024524.1 243322540.9 268176160.7 237583032.7 261333730.3 155697809.7 187455208 197960496.8 276647040.8 241610954.6 189225109.7 220514763.7 249649522.9 301232724.6 177740701.1 193031512 368310271.4 256216370.9 218514644.7 162805016.1 190228055 204101698.4 287767827 274896521 391835022.8 170274154.4 197419124.6 218633675.4 199872747.3 256345531.6 189023128.1 282887703.1 110035432.6 238820310.2 226497714 4351747.26 354779.8554 210670870.1 228101197.8 247256488.4 29218180.92 209750394.3 197712759.6 229125419.1 186767734.6 189772994.5 208179136.2 204326247.9 174056504.6 237067883.3 230232147.1 240373706.3 163588179.5 172288996.4 178595328.6 267901586.2 239791045.8 208610467.1 190255818.5 210440561 204740847 259903358 221762100 192457620.6 344908584.2 181371184.3 180386038.7 241548596.3 196712009.5 222812190 220832406.1 175165667.3 248999652.5 253629189.9 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37236567.92 39903671.61 40186011.83 48417912.61 9757227.016 22172131.43 30693261.73 41231847.76 13566108.59 28595136.72 23674597.35 24047015.21 42109287.97 10179616.2 29234489.73 27307134.25 32551862.68 22200542.83 22829086.92 12588107.2 13643912.29 31767237.58 8029858.928 7748928.075 8529926.138 26698120.03 9593641.66 23893323.14 27939716.59 63064.95759 53891.7294 21218519.92 26992976.63 35139304.86 30682511.89 14985330.04 20659616.32 27355817.73 19965416.12 22165599.44 17518720.1 30432062.73 30422729.89 18351503.6 28728012.48 6794331.331 10362544.32 14098338.12 42946677.26 25962088.11 29130032.18 28516983.29 15685727.32 19954321.84 40312448.68 19561211.58 36715115.7 8366945.948 34368032.09 17977857.52 43478196.92 12597183.81 29852707.29 19040069.71 31182172.84 14266821.27 25577159.68 30982338.92 6996472.021 49370807.17 14077918.98 23655460.58 14709044.92 8524730.578 61607880.69 14993924.69 34627966.94 13943308.42 47123512.03 19294124.39 12477695.05 45202089.32 50165920.79 26173791.96 33899311.48 30100566.42 17642296.05 46718762.05 45254981.83 23746025.91 22347863.79 16983358.62 76973.89253 32772637.46 35491713.3 10455807.57 62382152.3 19756028.05 42734649.21 18482060.6 12041220.57 24007239.66 28545786.51 35708125.92 33193155.39 45770.47168 90299.37956 159157.1889 72271.16269 62214.73011 Margaric acid 4406246.436 24731957.89 29631769.25 37034645.51 27270137.33 40255555.32 37677549.65 42830307.14 36517958.7 29522460.36 17465653.56 37272094.41 44936520.03 14413322.78 34963212.12 20611353.45 25922268.75 24034537.67 25852712.29 27389135.32 18679728.65 23461489.23 34784460.65 47255627.93 38453593.74 33042305.09 36109932.23 37709578.55 26341261.39 32980753.24 15666610 26153183.05 17236452.05 24928280.14 22426609.85 21070028.37 19946529.99 38996787.53 32541660.55 26230815.3 41468180.42 17223059.09 40777547.93 28335794.4 15736012.54 50137652.53 20779679.66 21937843.59 34440035.5 36185321.99 19640369.13 27409813.02 68189454.1 31958866.13 29292617.06 32337897.69 36674175.03 55630836.56 27033372.09 18722721.91 45178262.05 50082056.08 35316988.05 61195986.12 21903497.22 23261101.24 28656768.24 39372479.52 25186149.93 33785640.83 41958578 34917869.46 44249748.13 34745680.53 46563072.03 17120144.48 29822546.54 27620308.57 45317721.7 35106221.81 61430880.07 30994294.2 28399857.87 43970436.16 21138197.32 39165331.29 26912707.56 33771017.67 31102615.84 15710087.1 47933834.93 17776858.28 22843173.86 40054012.47 42114376.7 1526274.782 1864497.379 33481251.62 37864965.36 28703778.52 37129753.83 44680279.95 20842434.64 19703991.4 40081977.21 34170933.41 15905423.32 20188972.91 81776090.23 46704125.53 22901749.31 23754485.62 27445358.68 41302230.85 56775603.64 42966747.89 40846451.75 60511263.55 47945532.62 32990788.38 33097659.48 32102818.53 46371940.31 26755991.43 46028698.02 30145663.83 66449222.63 45028265.7 39232686.33 23555050.32 25486571.38 39683381.19 39501965.08 47962847.8 24473672.28 25154756.11 20924404.9 34237579.86 49638680.08 26531780.07 51130253.11 17889074.87 53196754.84 53948114.39 27254805.13 23133994.16 27293129.21 39204676.11 55732047.12 39953380.25 46217105.64 22201960.55 41980576.5 20270146.66 24719960.23 19286108.1 41019755.21 33596102.86 300556.4216 24135535.36 47198515.74 32421429.72 35375499.88 43104804.8 24969336.06 58711315.5 49082366.74 32251836.25 36824380.91 40585148.72 34503440.66 2997493.6 1013889.039 873756.5097 981461.9036 1347238.071 Marilone C 64173.35683 2580117.173 3697100.295 3011636.559 2696903.541 2980208.701 4820047.899 1997186.707 5018202.348 3012199.24 6650641.943 3998212.021 2670141.787 172997.2073 3927911.263 1155660.829 2986386.946 3968183.274 2097544.203 3463588.447 1971184.846 6544075.078 4267164.198 2636117.868 6249406.359 2604335.219 2611652.781 3913287.849 3212783.757 1913275.448 5724116.705 5195154.341 3294739.745 2626948.368 2915713.885 3443328.036 659249.1252 4523031.083 4764411.391 997396.9801 1751052.145 3435515.622 3131004.308 2912892.883 2495914.029 4665558.585 2824370.938 2994706.216 3894272.667 2634761.007 2318657.528 4268946.483 4189143.122 1982793.312 4289383.931 4850895.794 6586671.031 8016764.329 2785491.077 5856988.392 3882540.06 1903984.434 2997125.905 3056468.548 4603608.515 3185147.549 1418887.422 4436636.933 2151014.974 3654078.583 3702732.856 2564783.174 2849476.787 2999498.707 4303580.549 3642683.816 3929250.119 3668177.066 2865573.649 5216616.121 4145327.069 2464070.699 3261938.727 3825088.743 5701370.487 3823621.901 3457957.265 835371.2087 4171253.318 5582484.086 3642779.364 6578420.345 4912859.351 3614885.357 2624516.591 82669.96541 60758.40856 4327153.613 4209973.679 3845233.716 2465205.243 3257480.503 2839002.455 3497185.303 12602404.08 4075536.666 3196399.209 1359140.118 6740475.551 4293334.081 6409574.632 7642024.495 1955677.735 2114871.398 2422817.253 3493422.68 4943544.077 4810326.674 3776067.589 3693229.76 3473810.193 2384042.13 16334895.09 2995034.658 2823135.969 3154134.995 12402680.77 2732433.024 3153262.659 3403927.474 3445460.123 6392817.833 3574485.344 4012383.096 3461147.787 9036119.46 4658093.896 4233328.345 2846689.855 4768559.76 2323293.76 3158296.501 4918079.664 5029098.202 4948307.74 4226925.154 5172009.614 4228855.269 2536992.996 5044927.245 2760104.501 4871920.372 1622893.301 2297228.498 5410049.126 2219359.996 1285613.031 7835105.529 122513.3369 2614506.573 2808490.058 5242497.728 3253514.158 2391204.525 5981034.85 2883918.496 4237645.648 5529035.802 3358405.028 3127797.748 3599910.754 76030.8235 103222.2285 67485.19621 69062.34924 89458.91249 Methylfarnesoate 306124.9262 6281190.105 5327752.062 5225616.131 7367715.18 10683515.45 8797862.201 10551817.49 8412066.332 8588001.412 6754182.793 16455374.59 12530181.89 2381152.226 8965039.546 8793625.495 9885073.648 5379615.799 9553489.938 14686905.3 6367681.349 12317480.12 6425049.076 20695230.54 8173699.735 2735146.26 6884061.8 7863031.887 12167449.23 18267268.48 4192216.013 7640285.049 4726739.832 10820579.79 12854890.28 9821803.05 3855394.454 12809941.94 14388408.33 8665141.413 9813901.368 5350185.139 14556139.49 12793956.8 6820698.272 12131426.26 7207712.176 8322866.738 5580970.845 6883766.455 3714517.193 6344736.868 9564725.474 257683.3745 8548989.875 11335478.56 9620773.378 11980934.25 7505408.87 11730644.6 10539567.88 20670986.13 9304687.27 22241024.37 11264511.09 8730414.741 9969171.397 9603256.205 5866270.776 9974600.018 10961458.2 5118911.305 2710002.303 9235576.999 9003888.745 4295212.84 9459392.072 5193475.057 15701014.57 10153026.86 14294098.36 12951326.11 10120543.91 14650824.67 5119619.458 11402381.76 6163601.31 11579192.09 5638158.789 5279175.026 15691983 8596122.319 7606787.213 5837363.826 6056508.738 779325.4981 448381.1144 6573054.115 7433249.43 9473545.108 18348849.05 13646212.97 8469780.616 4812140.35 8591081.824 8541364.716 5811062.225 9347927.001 8517879.831 18289738.52 7079145.857 6060012.392 9747459.903 14418389.7 17671969.43 7136959.681 3848236.913 6448670.432 12893818.62 14467163.42 6843003.473 7936337.674 19556765.5 7869647.978 10172435.79 7301222.994 14117960.15 16287953.84 12478571.02 9819592.385 9209489.943 9132288.694 5512378.013 8284535.2 6264769.403 4653540.157 6114189.754 10152398.15 12059302.91 7770369.786 16856312.6 7154426.408 10246583.29 10074058.66 10173080.84 6398866.77 13286616.81 346043.7097 12550510.14 3869903.035 8289498.408 8212946.468 12711006.57 10115157.77 10102271.07 6186370.192 18236727.64 8905996.697 71034.80375 11591850.48 10847699.36 7446976.334 14238632.87 9571277.716 11279981.12 16172915.6 14300110.83 11370383.12 7428390.703 4882517.586 8556888.603 912061.8732 414357.7343 437719.6381 320615.0774 753660.5578 MFCD00272697 92379.79319 8399067.591 8110881.582 7762377.043 10193139.17 9162843.081 5955105.324 7210987.319 7605305.317 6255635.854 8677040.911 8566608.854 10310477.23 14029977 7985287.623 9831381.129 3982658.055 8002877.786 3803319.793 8258982.175 9836608.602 8634215.865 10685868.76 7970451.973 8897012.516 6786726.287 6589862.191 6939828.8 4298759.381 6289987.297 10956867.99 7300914.367 8234794.009 8550481.741 8541444.356 9468344.259 6449630.594 6850796.405 5905263.345 7656569.689 7230141.114 5759571.908 7643288.439 8625707.044 8235734.676 9934505.65 7648170.261 9468406.054 522188.1465 199190.7291 4831508.011 6403939.552 7416783.086 6107757.013 5316248.253 8129495.813 7487841.173 5657590.72 7821178.548 12849004.67 290508.1279 6783605.605 5498148.287 6942938.5 7660142.171 5305745.405 6574063.139 6168970.86 7195212.816 7872360.217 5050220.91 5369856.716 5772079.801 7451066.21 4993212.879 8173717.376 9669819.521 5065594.054 8095230.178 6389300.191 4667916.35 7459080.076 5967486.44 7655585.254 6368157.415 5045453.043 5079571.827 5871952.768 6715129.543 7535901.845 4262989.533 8634643.863 5373761.005 6478650.627 4633041.477 397162.5135 478296.7052 4578349.202 4609319.359 6887111 6405275.63 6654931.163 6026823.561 136047.0432 7736620.153 3922246.75 7008992.478 6560315.277 5190055.894 4294789.352 6779392.744 7760180.896 5216765.925 3029858.426 5364688.116 5796269.914 4681495.559 6539060.355 5393748.591 6315083.842 5256009.669 6262480.308 6469955.909 5881659.995 7822683.708 5614445.081 6367161.606 5648172.422 5930081.001 8550209.776 6572271.514 5785031.156 5139359.929 4732117.467 6893865.811 10227175.75 6802720.768 5543063.729 5622518.156 152082.1614 5679987.963 7383041.056 6220518.185 6296974.367 6723110.767 3596939.002 2684271.212 6905734.189 5107551.583 5049789.038 4981461.91 7329301.545 6005237.472 5697504.296 5814770.689 7793448.816 4710940.004 7153869.449 124703.5531 6651454.752 5549206.619 6647339.625 4622138.863 5441618.118 5499842.147 4541141.713 6203281.055 4760983.681 4889400.041 4784579.21 3975053.893 221231.279 115963.8087 112142.2752 197615.0189 231109.075 Mucronine B 40365.40146 1748389.426 3019676.516 3388876.141 2406853.385 4329374.709 4001543.452 1547617.816 3722807.824 1795713.055 4283136.549 4560448.973 1623134.891 4565091.534 4356666.591 1194007.963 3303037.15 4113439.865 1673155.141 4406940.741 3690956.948 4361549.121 3536407.191 5266265.684 5388815.45 3088306.529 3063727.092 1488609.196 1399467.685 1479636.712 5037432.718 2486893.19 1985989.791 1160473.055 4570480.074 2991979.961 4130041.195 4685382.702 5850991.864 4199040.857 2089698.897 3246929.505 4873945.199 4229003.518 2204641.362 4905385.93 2068964.407 2815017.659 3046015.11 1102532.146 822710.5887 4528196.642 6660646.553 1583366.912 4469044.074 4037566.394 5882729.051 7437317.759 2780526.124 4398814.244 3690814.795 1584262.464 1542210.572 1813490.18 1517209.13 2280705.863 4703465.893 3067991.319 1465639.612 4272157.196 1907961.616 3041523.711 2828537.955 2624384.033 3037904.878 1448090.143 4727439.282 1667708.139 6564449.239 3749457.13 817313.1984 4314004.501 5041622.565 3045533.975 3176971.974 4775431.261 3050810.449 3086228.498 4179413.236 1984559.639 4047856.865 3468547.314 3559589.59 2924344.734 2672313.849 47595.93532 36970.40592 2269984.9 1197172.045 2259387.431 5801773.969 5611593.326 1918942.117 4669027.308 9879039.309 3203782.16 3946551.448 2340365.225 5638852.5 2660228.725 5844495.686 4584877.851 1173591.1 5168436.617 1014802.963 1657567.986 2630123.99 5005099.072 5819960.657 4966091.222 1418788.096 4603947.431 12785590.41 1495227.38 4558993.419 2281157.142 8358523.236 1252792.533 1348193.639 5097173.207 1903676.716 4131188.519 1224281.065 2509635.123 2326529.101 8406545.982 6683941.022 3575090.039 1678659.083 5101117.428 5145413.189 4921357.803 5056438.129 2552516.116 2768881.159 2445107.437 6050812.15 4258602.171 4488914.93 2747200.571 1381826.455 6685927.411 1917674.974 2587849.589 3799818.767 7757496.206 4344393.014 5958116.939 44670.34057 4395729.596 976712.5042 4081522.7 786543.2541 3967803.679 1936260.006 1399883.619 5118027.334 5307947.258 3062229.826 2663539.414 3737525.087 47823.81452 64927.36082 42448.56701 43440.60511 56270.15783 Myristicacid 12244850.64 179081074.8 253644493.8 332136151.7 222725690.6 320492239.5 142802955.2 611417299.9 235688638.4 161980329.7 87977313.84 269936434.5 433512259.3 55800890.62 182062461.9 157655965.8 157345321.7 211478015.2 135531192.9 228557232.1 130323387.5 187730811.4 192510958.1 418356933 325313457.6 270606191.5 356227469.8 233742312.9 106829666.3 292809907.8 106018735.8 134869880.7 83261116.23 348477524.2 160631904.6 152931612.2 123210885.6 307098346.5 288860015 176864265.8 233091113.2 126989080.9 283606983 259589062.9 87644632.54 300989254.1 124493372.7 194675230 291027847.4 346979925.9 141243342 187702971 301036536.7 177126487.7 137908381.3 200017319.4 239243151.4 238982722.4 139689013.2 134252063.4 346361867.7 346004278.3 326495812.5 273681851.4 157992682.1 113794877.8 139725231.1 166981284.6 157045021.5 249746607.3 291127137.5 279551221.6 389761800.1 188652530.5 281040922 79567374.1 197274357.4 122686251.2 252823772.3 272494905.5 440610882.2 195432285.9 223661573.5 578106780.8 199160201.5 257650739 123331380.3 237595377.9 152597129.6 112176889.9 225001873.2 158192657.5 84682578.73 302405655.3 383908586.2 944320.8201 1832952.906 292693872.4 368897134.8 266288439 250704187.4 407204536.3 160597050.4 123984378.5 260913157.7 263670688.9 132930016.8 179571404.1 681349352 326019750.6 137466880.1 160447575.9 195373956.7 334563132 390462588.9 333925968.6 409818817.4 510233329.3 481951929 197778996.5 194104200 195447696.3 310330640 235386958.6 251863817.9 253782099.4 828858821.8 494900322.3 274260583 111309810.9 137609343.9 338090252.8 317456402.9 411765425.2 165681044.5 194053828.4 123038220.3 175602485 390945373 226738754 294587824 106975562.2 426845505 360737904.6 235344237.8 105612694.1 157638662.5 238100539.6 392126858.9 327305863.1 438376278.4 127220518.3 283182510.8 165637842.6 264868929.2 147401235.1 457686991.6 281584121.9 881795.6758 168518765.8 198059810.1 241914014.5 298868469.8 353020705.8 188560361.6 614995786.3 394462573.1 159167755.6 343793867.9 433402296.5 240329430.3 10800165.52 1780766.489 5109505.942 3421657.113 4483235.85 N-Acetyl-D-glucosamine6-sulfate 76551.10882 3603223.162 3325850.851 3264862.12 5320349.925 2657620.943 2560771.77 4528433.987 3378026.599 3052401.264 4655018.667 2652116.469 2654744.544 8666062.721 4020127.211 2818767.754 5743534.363 5684347.211 5006718.203 6828117.78 2182284.968 2712387.776 5423179.742 5185042.014 4440080.959 2829155.704 3352089.956 3760173.217 5915795.504 6635507.37 3368752.277 5292072.311 3448274.508 7977799.237 5568592.026 3283244.267 4185054.755 5014101.212 5828062.634 3806120.789 4527981.022 4334657.053 4055499.553 4409214.573 3897685.334 5936430.763 3606370.295 3280142.038 3179717.342 2919299.869 3677542.128 2617159.433 1956638.596 5378366.886 5634109.139 9617377.991 8762640.909 3966073.407 3662806.729 2865107.46 3352670.434 4674164.62 6135528.142 2473959.125 2644182.136 3490346.146 3787619.416 4643132.15 2454545.871 3946809.132 7480886.358 3372360.268 2912098.323 3323419.351 3382772.448 2539647.919 4638557.193 2919446.609 2607589.155 5670057.05 2471655.328 2335961.837 2316271.397 7618159.554 2678603.471 2672057.443 3232882.934 2636549.038 3432745.434 4357630.275 5024356.992 4810046.904 4531807.527 2945952.516 2743216.68 65135.6895 66767.81092 2858741.891 2588706.152 2801158.215 3992278.414 4068897.07 4300941.398 4332974.979 2960114.132 5076178.623 3788823.832 2252320.763 3499460.917 2997026.659 2765383.315 2064317.925 3646640.174 3220732.307 3133901.336 3327761.43 2750660.147 2199514.15 3014550.819 3654706.195 4470550.987 6113686.328 2820012.598 2458940.437 4193598.681 3078473.636 3190556.383 2089321.649 3832235.925 2275212.422 4093542.818 3687300.753 2940827.453 2729531.643 2623308.557 3507992.045 3795563.84 3002996.245 3337123.44 2335338.614 2396593.144 2659954.274 2156923.596 3532714.276 3237449.36 3434087.99 4363691.233 3201491.095 4177954.509 3045836.692 2853588.198 3871971.379 1495662.255 3440661.46 3835670.839 2801380.226 3875195.763 2811067.886 97585.0045 1894136.892 8086856.639 3367438.887 3132958.355 2793708.31 2498655.275 4843121.086 2491304.225 2063672.373 3065856.348 2922963.21 2580135.245 127782.6248 78162.04307 60941.86147 80665.84713 82480.12706 N-Acetyl-L-aspartate 46497.90154 2605457.908 2418555.598 2468214.615 2842989.932 2197022.453 3452676.668 5627211.165 3450217.93 3285490.928 4849164.798 2453846.837 3326134.753 3747738.826 5101118.907 3678364.743 4888061.142 5988827.829 1506882.711 4524921.737 4646254.513 4915369.441 3748766.613 3848214.842 4175567.673 1909943.266 1920865.188 4091199.054 3729070.739 2146405.414 4069745.536 3815080.215 3981389.488 4577887.78 2904617.633 2457170.368 4000697.805 3134327.213 3061477.775 2824401.541 5361978.882 3306645.622 3627855.798 4040108.082 3038808.044 3166379.816 4009380.031 4532150.018 1704054.97 2064443.335 3585500.077 3796937.866 1534343.69 5661452.318 3809301.044 8123748.487 7774020.535 3097435.112 2632991.381 3796776.131 4737253.4 2184595.002 4491494.062 3686412.513 4121768.587 3544184.71 2698364.271 4089400.677 2783739.892 3657680.284 5350972.481 2444956.836 3021327.74 1569785.652 3376389.896 5778202.345 3480766.4 3709013.564 3056700.853 3571794.645 3445211.279 5038144.766 4256009.023 5222989.039 4515279.374 3290730.099 3727931.887 4850252.67 4032242.781 2848185.156 3779673.526 4188267.518 3034816.366 2768439.445 2531461.057 54930.55286 33924.17632 2226486.477 2626925.334 4906339.243 2622367.23 4151747.06 5854892.813 3340916.232 3431679.039 3216779.924 5180360.346 5220998.243 2480841.177 5228380.967 2871017.444 5170107.899 4041588.574 3434687.983 6261635.634 2543718.743 2260101.567 2905742.489 5194040.655 5046366.613 3752678.451 2665401.545 6343008.739 3174313.878 3112709.824 4158434.973 4671385.276 3496649.673 4184060.939 5311316.484 3193303.259 3037197.988 2748757.256 2657289.524 4198558.7 7169184.21 5331031.37 7193428.032 5631009.423 4361536.39 7229310.332 3325859.673 6058851.473 3294829.037 4160293.004 3433826.708 4190779.565 4437967.093 4542028.972 2682623.169 3103421.509 6696840.964 2507348.124 4930901.027 4010221.712 4276328.815 4129197.45 4270510.008 48454.11218 3743261.751 6926611.34 7428502.179 5802606.477 5701880.883 3928176.807 3813619.637 3942961.638 2410225.397 3439385.791 3813553.615 5601805.76 362414.075 28523.71391 37809.57327 37265.8916 31038.17531 N-Acetyl-L-Carnosine 42861.33117 338504.5478 584660.176 469951.3857 576844.5148 315848.7077 388348.5761 705744.7673 401299.2645 520497.7613 298479.0588 324418.6291 614305.5651 1022054.718 776822.5703 556014.7099 559363.6638 586783.0504 437479.1197 445988.8215 321137.8754 323679.9427 515645.532 434068.7975 483014.5905 519087.8017 424504.3637 566268.106 210505.6486 622326.4969 712911.1608 428408.6297 489877.1401 363649.0322 554479.7463 849532.3157 559720.6828 454216.7874 404052.3967 791093.9319 578895.0443 697989.6036 773157.8608 841513.1259 229644.6979 1602498.184 539312.5331 355538.365 427522.2761 421691.3484 762360.9145 321292.2555 364056.2315 328974.0159 606624.6826 794388.1513 953650.2641 871257.8953 202159.257 379173.3372 765265.2959 578035.7832 576088.2357 545053.7076 534689.2667 530493.6317 178098.355 449637.8466 341748.8158 296878.0274 614334.7898 616404.5634 562266.6109 319613.2908 530513.8742 122712.3103 1166344.407 499677.77 472587.2705 576965.49 401642.7309 351020.0269 392435.9182 438236.4463 443257.1579 256806.3758 462689.3641 392358.3262 510665.6498 771683.2797 693171.9162 150529.2146 204747.2523 592914.727 452276.8742 40273.68487 46829.24187 549361.194 251590.0215 775617.1864 531007.3275 1333140.635 1737969.519 240198.9535 329530.1315 160825.2517 274342.5424 185529.0979 644435.8492 745783.6646 641056.6648 781746.7167 577834.3262 500237.159 887559.8428 621734.6563 227775.3935 433149.2694 470265.0376 894155.5884 606966.7444 687139.5451 717596.2018 344332.3069 782248.5648 588752.0481 449368.9109 316428.8709 801963.7468 1148261.374 221526.1653 471598.1102 648146.7657 301843.3607 961931.2074 667740.3341 810697.6273 535193.1073 801316.4812 755852.9128 535292.9792 1060239.956 495918.2816 429217.7732 404374.2761 390328.1773 354506.8949 952861.7677 664902.1891 422633.0705 505707.4115 1486145.923 634096.0132 191725.2244 118408.7688 412342.4894 445137.425 509392.1569 43285.85277 451482.4198 114718.5648 492737.555 197251.1105 938661.8464 292820.9557 323078.0487 289623.6999 578589.4097 468746.7159 341660.2616 372955.2999 54244.75058 49836.96739 40193.11914 46251.89261 45762.27403 n-Amylbenzene 66242.02849 596811.7881 814598.6969 372692.1958 507663.2334 1348093.642 2313120.914 1466962.287 1215424.458 1214336.616 687658.0614 1595557.039 1169579.371 1683298.25 1588179.139 1450758.428 1222323.99 683191.2781 1071895.555 1468753.547 1173513.743 1604710.738 999086.092 1458681.606 1020094.718 561523.0832 784322.7092 1821927.596 1646411.598 557592.9677 980177.1627 1361188.596 1787541.484 1585905.617 1003831.7 1656619.737 1891378.533 1001937.55 1600141.815 1751360.708 1244589.889 1618746.965 1627365.158 2074053.927 894817.652 1254254.078 1381598.381 818371.9501 598649.704 661211.2195 1240209.226 1451092.451 1502495.901 695612.9254 1551138.343 1160206.147 1333326.038 1978951.997 877176.9327 1102070.726 1563511.216 1699295.438 1458132.671 2573242.781 1060073.836 1641683.066 2302771.112 1807741.108 1151794.497 1231125.578 905355.7439 783583.3623 473359.0772 1967607.938 1158497.494 949408.9319 2406369.708 1303712.762 1179974.439 1045427.878 1441885.767 2339184.316 2640814.427 848572.6357 454986.3893 3083015.334 1474029.737 992235.9585 2028990.134 639827.7469 1411811.384 817734.2964 1067966.758 1293394.431 957235.7507 84854.85702 116419.442 881384.1998 677725.0745 2289478.661 1154498.69 1958274.548 2032744.497 1218361.861 1626176.24 2071373.224 1189731.164 866012.2227 1837944.101 2072170.767 1363438.212 1501507.466 1643010.177 1854762.635 1102907.047 940209.4646 1298503.038 1020468.61 3087548.187 1178535.573 1794403.016 1603762.635 2505262.838 1658846.252 1267269.417 2175677.43 933012.8313 2324559.548 1071405.811 2067067.351 771398.5416 2866653.696 816391.8077 1140979.284 961849.699 879892.9696 823724.4875 2378428.068 1905096.773 2864593.328 1773407.002 1216071.121 2888113.084 1867996.792 865161.2479 913115.1199 1458277.251 1260889.278 1581431.896 641422.9455 842123.8285 1284768.838 2321295.108 2786129.108 983450.7224 1160493.063 1435003.743 2972056.037 104315.7933 1798788.233 1836326.872 4836422.387 1145276.849 2028358.346 2405467.609 2317870.913 2659926.565 2873857.094 1557027.328 1597888.429 1060171.858 131720.8395 142296.175 70021.44262 142366.9228 91152.46102 N-Methylpyridinium 25734.14227 430365.0397 196088.0471 224569.8119 205726.4512 664704.9295 653223.2669 865315.3996 480851.3812 690356.438 463270.4668 797268.3121 391179.5741 741115.0689 414877.2035 504717.8215 380902.3425 660964.2078 1108110.688 813026.3192 842871.5898 321376.5449 350809.5988 294403.665 530111.8865 276300.81 144362.9863 186246.3671 1866752.85 572292.4897 109843.7143 261079.4441 317349.6633 190093.2296 1607203.886 122258.3362 928662.439 393132.1422 497835.6555 808874.9966 833771.619 230877.0549 704395.2442 267387.9076 581294.6347 333300.2095 70595.13388 626975.9548 127739.3314 187216.7589 363650.9903 471569.0004 492946.7817 261301.1679 661670.8128 509962.8959 572624.8416 627839.1984 1019849.817 89854.71708 456399.0907 94606.69354 145154.4592 179956.2948 366160.5852 617723.2133 294371.4031 275942.0304 638927.3324 238943.4676 646282.3972 136449.8253 155455.3274 993083.2198 544489.8082 517036.7699 178315.3736 274539.9892 94852.43993 99936.55194 877019.4311 588673.085 259353.5413 179192.1067 104212.8154 712245.1251 118915.1614 644739.4978 767698.7583 338384.3916 370761.2631 598890.1275 321219.9344 293523.6552 163905.9188 25501.90611 22403.36684 173203.252 149871.2192 407072.8092 117939.9176 219691.3167 193148.1236 797931.9044 396348.0291 1376988.778 94815.47305 308154.7988 79437.65542 610268.0311 387522.547 652168.8744 459887.5435 351478.7857 220705.7608 157073.4628 173393.2092 539980.557 187813.7313 336170.0913 375882.5258 294587.1943 724606.2927 224366.1396 231069.304 223595.199 134853.3551 253802.9707 306295.0776 210202.525 651836.9623 723805.3501 171500.3483 159891.8439 234015.3807 145536.0834 509651.6224 274001.5548 940327.682 211513.0281 305384.1684 105840.7806 527753.1281 407375.416 127929.8922 579667.649 130843.5454 114129.257 212579.0634 194527.5896 195240.8948 126210.3058 115095.0087 595400.7654 420869.7134 259042.2578 378491.2325 337908.5056 69025.97742 162579.6985 209900.7902 222308.4275 190663.4626 483430.387 109790.2654 237215.3072 190371.5215 410648.4105 179344.898 229939.9568 166708.6981 31485.81008 24796.099 30040.86259 24493.70938 27862.41704 N-Ribosylnicotinamide 72030.14309 25969781.55 1446066.445 6714990.002 232903.7065 675481.8288 632468.4495 2103597.274 833642.5375 1153482.661 4462172.557 629057.3927 1023618.367 1241600.567 1420826.22 2305880.257 163492.1817 1835564.087 2096486.671 589616.5124 1403397.033 7313957.844 556159.2936 722393.3455 546305.9401 1605955.931 7319330.094 1255690.798 324601.8794 2822331.336 1386335.453 228012.164 1986789.583 11814605.38 628873.3465 673722.6811 8770712.6 712744.2943 670526.1074 9236643.007 4760804.156 431900.1571 382353.6756 483121.6882 1228589.22 1531942.227 1086903.217 1910077.938 1723450.57 7056872.595 853342.6239 1860147.449 408003.9538 5389228.617 616558.8755 1573733.016 1299733.679 1377913.963 817451.5737 975898.214 2132456.795 313582.9873 5854644.919 2280593.246 10192945.76 581691.1116 20800097.38 8021192.929 702018.5058 1079723.177 440675.458 1524820.626 8629119.087 1075952.42 458074.0409 2004630.601 2235950.59 565065.0598 1620396.275 181516.8589 1592819.915 2470238.815 829573.5716 7888059.257 2138076.822 870985.0643 946979.8424 1159209.404 563198.0039 1821414.284 347534.6824 119187652.1 17845400.86 1914348.154 7603078.409 74321.35037 68073.31704 1671402.859 7131920.938 7497281.866 1500031.139 3743240.78 605516.849 296104.7635 873002.9568 905084.7043 1172102.64 1201578.717 4148851.817 1181801.098 841534.2147 7083297.577 977334.6048 112120.3918 2226926.695 2391376.27 8829290.615 1715474.623 12761241.34 1810931.052 2402508.704 395837.5238 2220931.366 479152.8708 766125.0289 14303348.98 3442479.077 859481.7092 2107626.358 3903227.862 2215816.646 2260699.371 1969539.608 9092749.046 1318052.498 6606750.609 3514036.164 3012506.06 21190106.06 2181538.201 3113104.765 2957854.25 2148769.009 1034548.724 280583.1157 509853.4528 1144706.587 1765191.466 1509366.4 1992153.592 10095068.79 1696783.415 620673.823 1299107.991 233671.7284 6775135.241 742204.8291 1667512.413 76690.56051 5799462.841 2084796.942 1994226.636 1210352.894 27898082.9 1410515.012 1790230.072 4757805.971 551434.6257 2185159.431 9765621.169 36064525.27 82982.35702 89021.18622 59689.74564 109608.2373 199058.4337 N5-Ethyl-L-glutamine 74477.80542 2823762.499 2153597.868 2661005.38 1306934.224 2199652.236 1097776.407 4754663.046 4250781.906 2398395.143 2175597.415 4068968.607 972370.6044 3729805.405 1333056.41 2216073.096 2971599.046 6667181.332 4303984.263 3585633.29 3009705.684 2117865.96 4264113.18 1677684.918 5787842.221 2279036.098 2806821.151 1288089.051 2597276.242 8246049.17 3884968.133 2168070.391 3093724.675 1041087.245 4839628.663 1117251.958 2579821.595 1002706.549 1475854.785 2880920.628 2748283.126 2251080.245 1843643.221 3942713.965 1168434.247 4610365.502 3566951.773 1716633.318 2329216.064 2858685.787 2976470.105 2640927.637 1778582.041 8967771.971 1814664.341 5848576.247 4709477.725 2269561.925 4901948.049 1579810.603 2926168.46 649332.6501 4473925.032 602268.1138 2892380.229 8019842.204 3621050.676 2929120.937 2046959.28 5573373.562 1617508.54 2438566.864 3555490.584 1920658.65 906628.2548 2059878.954 1250598.733 1774668.411 1785102.457 2191671.604 2047246.846 3314265.868 2012962.415 1135268.08 1783099.022 3124092.769 2167428.891 1432442.124 3396441.125 3515734.258 849063.3235 1642237.799 7557600.76 2563135.399 3178218.063 45625.00603 51363.92715 2182551.17 2996296.909 4648236.73 3268874.468 8941585.286 6349249.453 3026072.528 3994438.815 2007318.552 4453441.155 14759224.36 4112888.668 2314108.366 4380321.954 7140504.096 1122544.747 7596967.817 7311951.745 2845550.721 2975764.616 3786133.62 3942585.234 2375359.289 6647439.599 1868456.102 8004589.881 808613.6017 2982532.708 10355720.82 5057468.66 744011.4036 8353634.785 6589440.085 911137.5964 4364904.843 2572310.043 3460050.926 22399362.39 10193331.16 5572679.49 930665.808 4445686.022 6742731.338 824079.1202 3896120.965 11092676.68 1734055.362 4763949.949 5124879.9 10610421.96 4021685.999 3103420.451 2522897.207 3502244.147 7367984.194 1610521.529 1692713.513 6506459.99 2684586.483 1193285.221 7479485.924 64099.74938 2613544.676 1075556.49 5983873.264 2211234.647 2455047.86 1437012.188 3796366.905 991243.037 1327204.007 2732630.153 3377947.731 5406226.156 68893.89818 105746.4425 87899.67136 92382.47743 67962.8483 Naphthalen-2-amine 38592.13845 2941476.69 3797962.493 3197661.981 2334635.216 3410925.803 3141607.257 3443759.676 3930167.507 6217484.819 2059253.149 1015877.478 6464247.008 607188.8982 2935433.407 4631594.033 3201681.125 927503.7702 5071774.026 4196810.439 5871416.762 4379132.246 3963529.336 1873970.801 6490762.71 4406669.898 3323202.261 238868.7714 5288099.774 4562063.636 908438.6146 2915570.51 674044.6392 725267.5017 5124095.657 16292416.33 4780534.653 1092680.335 9953433.473 12531369.62 2053086.051 255250.2751 3698296.353 3336040.927 2246681.369 1845845.492 2318828.664 2345044.608 3850810.315 3418550.149 8757614.432 3030546.258 1648378.241 4902874.663 2646792.329 1306155.344 1203590.807 3289293.031 4761371.602 2169405.129 4975299.38 2001391.299 2821313.547 844526.7226 31695853.81 2086593.501 288741.159 3009918.349 1481461.225 1033622.841 4643645.15 2624690.857 3822544.917 2826536.568 2648368.327 802796.8993 3735380.545 2681008.301 6076214.194 461683.3209 8032491.127 6979915.367 1189606.472 2224351.82 5054122.308 3504145.676 2238571.352 2463592.798 4652225.842 1582630.01 3519427.859 5685960.391 1614499.815 4899936.722 3523940.278 41865.42146 32854.36717 4442049.425 3923017.489 4751629.118 4098935.102 4056306.268 3560594.056 3025262.152 32552944.51 5745773.142 23782290.26 3715124.264 6797707.342 3724555.839 6664008.31 12207640.6 2123641.814 4022628.754 2406171.902 5361218.235 2559903.018 1197013.108 11208184.43 3149453.481 5029820.509 3476911.703 18412891.28 3215063.479 5183333.968 15355044.34 4068555.757 3345357.396 10225894.02 40121153.18 13420635.32 15754539.08 5762793.652 4631959.025 7801953.143 11978823.82 11371531.06 5852418.02 18356016.27 43770144.6 7187292.575 16692842.81 9658039.253 8262890.474 5287224.03 6012765.004 10430766.8 1367411.792 7116970.663 5747149.683 5188475.318 13553655.21 3899709.119 10150564.25 5907978.522 15823778.48 8989116.349 9956730.917 99022.17615 4897027.398 7954749.545 23932977.34 6924983.141 20188748.42 3897169.705 6370596.574 5785729.607 3807674.669 5308454.159 4112581.938 7017081.107 45168.40686 35571.58877 43095.53734 35137.79153 39970.41798 Nicotinicacid 68078.54922 11789270.34 11226247.2 22490536.63 11898528.8 4240301.633 11289515.32 6445682.47 35817141.4 15208928.82 64305233.32 5628696.324 5804808.602 30986116.67 4426427.304 13593424.05 31545142.53 14999466.23 9031061.545 3815804.391 14158454.28 6045301.453 9445849.623 11599958.7 32054211.19 10506288.37 24460566.9 3235320.62 2937289.852 15495023.66 6886542.406 51803610.25 51905592.22 3201102.79 7206940.656 8222126.096 2905734.574 11165852.39 7695504.416 5137772.415 4042245.423 33037384.86 22374958.28 18427186.64 7173544.696 8085415.13 30536701.86 7584972.122 10453645.08 22678276.71 3702789.316 6659809.452 3962704.92 21364638.67 87292068.48 48956239.25 45014538.35 20931316.35 8111796.765 6674904.408 5910739.265 6723882.126 7541451.335 4220823.167 8669169.975 4392010.596 8238732.695 23862983.14 13367240.08 19831792.64 7761304.578 10613875.43 25533274.6 6114372.682 109447192.4 4767806.47 6083394.074 6018752.981 6457978.928 33281254.31 5457492.965 11737085.82 7632490.778 3094131.27 6121914.276 5073049.884 17347717.87 4209178.944 2278725.684 25792154.57 3683660.088 2877547.11 7414795.225 12415068.29 22343655.98 96700.29997 125669.828 10747511.34 23395129.13 5824624.106 5395947.421 7857601.515 34116643.78 25881951.13 9833919.132 2953474.226 16884869.2 24825559.36 22920455.45 5149284.902 6251792.778 11237427.73 4335487.053 51691306.09 12814069.33 15597414.72 28355909.25 6487289.53 85336306.84 5377673.134 7844662.561 5746748.069 11355037.8 9670859.069 12125002.5 11008407.16 8880038.928 2222575.501 10372963.2 54236063.69 5433320.999 4946693.195 13954848.68 27955507.16 8735723.649 10609736.14 7734888.792 6818723.134 4448655.464 8120756.383 4583869.603 7867281.326 28816330.74 70490130.45 7978546.539 48104138.56 11599211.22 321027744.4 8605166.387 13620480.12 30563353.63 400265.7489 8513369.657 3279686.904 50301887.7 9602053.212 5376612.501 30192048.26 71354.93971 5315744.334 7406613.548 6342955.942 6165617.54 24045534.24 5593157.97 28623661.3 4297121.135 12790519.97 13767496.97 32025915.88 13846319.74 147421.2419 153602.6588 84622.33959 153679.028 110604.7511 Nigbeauvin B 127623.4616 7138279.379 3526392.284 5965205.749 2916362.896 11572849.07 27331326.28 59607509.69 7002536.575 3978500.226 8911720.871 329160.4171 1205706.175 3874106.58 3258787.93 20170767.93 45061881.03 25189358.9 13228330.27 16656286.35 848128.4151 7980342.338 6961435.397 5597542.313 11318289.75 3237557.849 6579556.893 283284.8983 66774415.22 3234374.545 1384335.456 6927924.079 10544861.13 300247.1296 12573551.17 207065.0325 17201178.03 21767672.68 1867128.904 6704915.776 8702844.243 14289276.47 4591709.163 11219995.95 14628831.56 996827.9273 169589.6063 3915927.103 3065173.157 5357300.793 2711894.837 6759829.251 7350891.565 25884697.51 3567865.473 8812569.627 2194400.743 22996812.61 8042155.061 260554.5742 2910308.407 1375469.153 12461078.92 512495.4285 538340.8983 2123097.2 349862.6033 1740636.066 4182111.011 9287793.724 30489192.58 2992916.126 5949111.52 19870148.49 8504807.082 2111460.949 206412.8561 3962934.55 380619.8931 222913.7244 10583892.42 5356119.909 2768004.121 828360.5132 190846.7628 7514489.222 1800766.828 899606.7038 3020905.069 553731.7631 7237955.285 39696476.28 887128.7705 2853544.817 4877753.531 182666.1243 141813.6908 2254679.641 4656602.081 21510281.61 239346.0992 270163.8043 4067550.749 16820648.92 9419716.506 17590856.11 4121395.807 36729412.09 203748.8198 27063768.18 8005568.693 3999717.048 7374992.422 48986218.29 6611823.249 4188139.867 5157313.439 5592685.705 42359676.12 42652201.87 7918669.147 1095668.632 8489953.566 18059571.87 9088558.984 2119214.161 3109878.482 11601093.77 8776661.107 1626026.828 7390988.294 3255080.541 3360624.361 5223838.384 224197.8265 1258284.656 12233411.16 9817907.288 4462375.406 4017344.743 5004263.547 1017642.104 23255054.17 27649380.49 12540641.19 18610480.45 9858516.39 1448408.856 5989001.17 3153005.844 6382024.474 619541.3862 1117077.031 3355045.499 31299872.29 13545887.97 7442787.114 3208146.919 207498.2102 391817.1855 20585295.47 4378855.86 3867011.105 1329633.782 754581.4346 4635620.926 4338823.874 14312235.77 2921943.459 5487165.222 7175761.83 220130.0379 142069.4378 155560.5642 281943.9254 212941.4226 Nonadecandioic acid 529959.5075 66976583.61 73640501.72 102600970.3 56077551.5 73211454.65 96738094.48 133620107 89753476.28 77059022.41 39780760.05 102123046 75247914.58 23256902.15 91707698.76 64847203.33 78690256.57 52359669.91 80285909.71 104114697.2 39561653.47 84484634.97 77976980.8 135264317.9 92699622.56 76198303.75 108051355.9 78300455.6 79394166.95 113737613 27485690.34 55864277.84 36454435.6 63883595.35 71500072.7 53718754.25 41255750.97 83273293.02 127918095.4 56633013.13 73732394.77 48498930.89 123633568.9 90723002.75 46236885.56 81535198.31 58878128.45 52481233.77 69623169.55 93606015.78 36399843.03 76712620.39 128740298.9 93400723.26 89540996.69 75890087.27 84089998.93 109499519.3 52594534.71 42243854.17 99962749.15 138138646.2 117962484 123139848.9 54694188.33 64882667 75339216.27 63891923.02 43904999.23 76569963.99 120819945.6 66832998.65 97487107.13 60749120.19 98703922.59 26481496.55 72548583.82 45131701.24 66594276.24 82334262.51 130247810.7 94628728.4 57900410.18 88328198.55 37385089.22 89939786.9 60705060.91 74822685.66 59389965.32 33014492.25 134206737.2 40084474.2 56792900.21 81836987.08 98403332.48 1064659.695 779899.2178 86507103.09 112004898.6 68417145.88 94681991.63 127751737.7 55707713.1 54215022.84 74514791.19 99968892.81 48074622.96 67184885.96 201815398.8 116220966 44636814.6 64010916.34 86506787.25 129458658.3 115631650.7 68482085.79 87440041.14 78329874.96 109040883.1 89414484.05 55275324.42 66202409.81 133822595.3 61593188.37 70799431.03 57584089.59 151530739.4 85391557.51 72069323.13 108451681 61030561.26 80132216.3 64680046.63 123472695.5 62511597.62 41117815.37 34402236.54 80438955.49 112718985.8 66288376.98 89401500.33 42273756.56 116386624.3 93705526.36 46004992.68 32652936.87 89265947.85 87118963.61 117943068.7 103484973.6 90543979.75 55695684.53 124964064.1 64632399.47 71229870.95 44681237.45 117161224 64443482.39 83717.89933 77339734.5 92389723.3 72338219.96 90131500.02 76503981.07 68972320.13 172255100.2 65913506.68 106426158.3 62648354.87 81527838.59 87007947.6 827580.5076 932900.8582 915126.2648 1017666.662 946825.1387 Nonanal 139973.9335 5383819.586 8555884.761 8413269.084 6481215.2 5017668.53 10947705.37 24528886.64 10885070.18 4037878.144 5622069.666 4616800.3 3241976.369 4186857.622 8831679.141 4434387.933 4561128.218 5684585.635 11666004.87 8521991.608 3310171.25 5655978.548 5303221.718 6154180.718 9725253.885 8887314.04 8966277.441 9603888.496 21737666.76 6335502.896 5745068.932 2591073.268 4584357.809 6479648.522 6655586.352 2615288.873 5203979.122 5614035.36 3101323.523 4974320.438 5363348.817 27009158.13 16980776.79 3581368.25 19188586.31 3920852.239 3921241.241 15398760.4 8896353.972 8724603.129 5064860.199 6536125.541 2873959.31 12442740.01 11607657.43 8621745.016 16215341.15 3316657.385 17841078.69 1412963.598 7532655.946 5601226.558 6772764.428 2668879.641 6372273.179 10206431.27 2945114.8 7236148.01 4233315.548 6769286.981 15502251.91 7436889.544 9962815.432 4812719.36 8865511.689 15777933.49 2988341.54 8144789.846 8592377.621 41175321.3 12883104.83 8934504.201 5592559.524 9704729.401 10149671.36 33613393.53 4814474.854 7548639.119 16299244.87 17788783.95 7821241.966 8602692.208 2511761.219 10332599 9888446.802 358248.0793 128965.5933 9029322.609 9653681.916 13092801.84 6357473.512 4319244.09 21331907 7098297.219 9581446.615 18256457.21 20866298.72 11599470.31 10432982.55 8062832.399 3909636.209 11757337 5104705.316 28951529.86 10644079.93 11314177.11 11133042.85 29811581.09 11297651.32 22272295.37 8550973.948 4783252.475 8133358.553 5870015.392 7074859.452 7761388.543 9408307.783 6574530.393 7229428.023 10969579.78 4055520.916 7626753.045 11340781.67 11509181.34 6452022.4 5748758.045 6336633.456 8554447.072 6700784.741 7567009.318 9316934.05 7158858.992 6886320.693 20812295.68 8115888.12 7363677.29 4158302.273 4221665.391 5598006.434 11080195.04 11785075.54 7915543.139 6430417.12 14509507.31 37110354.22 4602100.239 6292607.536 10115134.85 115557.5731 4475545.316 32343900.11 8556321.944 4237972.107 7112700.034 7661841.664 6018982.253 9209907.186 10680995 13508265.25 13093533.3 9215568.417 145915.9736 504352.622 85172.64361 459122.2567 113505.4259 NSC 60689 175512.3622 64462052.71 179562.1898 222172.803 133030951 96814219.45 123685177.1 138639988.4 100249954.4 137038603 129150941.2 114114383 108338850.4 140889041 135121303.7 134035266.9 149177342.8 120940578.5 84079999.81 126016761.8 120403419.5 106062937.3 169722608.8 174991441.7 142436832.3 207263.4478 253722.6396 99281467.17 96716392.56 95756083.02 163822704.1 121775248.5 140740831.2 118071671.9 114874476.9 138817328.9 103152437.3 157495143.4 116206008.6 158979435.8 128086864.9 131433443.9 107647030.2 119901225.6 127783836.9 145746921.6 140555195.8 111457594 172948.0938 410169.6713 154107238.3 113349892.8 118858632.7 159880706.8 111553020 191317893.6 154237670.9 117882454 109721149.1 162745046.8 136873203.5 81653787.66 86290725.9 186376909.7 87901795.86 115381153 91983432.98 123992874.4 111011521.7 104946285 90892169.3 168641.3806 481359.6293 132222860.8 96794042.32 111998733.9 109463144.4 153065360.9 160280602.8 138093399.9 163226356.2 90561483.53 128028333.9 113090040.5 99269204.63 93689788.79 121817979.4 132272345.6 100841718.7 95508607.89 202309090.4 109208316.8 87613408.79 176231.9367 394586.4035 107429.7172 143543.658 165214.5174 1703159.632 129112686.1 99563366.19 108721861.7 121442906 84337557.72 91830001.9 113293224.4 93546070.84 107864631.1 100834514.9 135749596.1 108575195.8 85554743.93 128881470.8 82559199.51 85515657.07 179107.5944 357931.162 169161655.4 85185708.43 125473567.4 73818225.98 129585090.6 106419936.1 77094997.24 112804741.2 84758609.44 89562759.57 168703718.1 121249816.5 88889005.85 87523715.13 119306733.4 203605.117 203254.1722 87474251.57 82598951.45 89205865.43 159314854.1 111720282.8 83891137.34 93633898.51 82921826.59 89048758.06 92261929.88 96501148.21 80944091.58 107244033.6 100464107 196463548.9 184107.6652 226515.8274 110835061 76015690.51 94465622.75 87494719.3 78063981.54 84175170.57 94675374.14 145072.8671 134292735 78873655.46 97614411.42 121822039.7 98143447.48 115806588.2 93764073.27 77202410.04 81918128.59 186914.4852 243168.6789 59563423.62 165030.4566 129607.5923 694506.2105 128453.2108 208733.9103 NSC 622050 49197.44619 844780.1631 965551.4801 917121.865 1323170.183 2488717.387 1334457.81 2195137.193 1211353.63 1352949.315 1088374.543 2204853.411 1752202.914 1136423.427 2128008.067 1487030.506 1841134.712 1444800.533 974552.0501 2237497.829 1126793.06 2369776.86 1053845.05 1735477.704 1336021.913 1201804.572 524042.6257 1463046.671 1226579.057 1274997.251 1276385.443 1722649.004 1096336.872 1740470.227 2119617.51 1395375.539 1545369.499 1498179.918 1683156.751 2024404.778 1452328.097 1066107.448 1782691.536 1197332.329 1169779.265 1484472.833 1337593.234 1366134.771 559534.4356 1077952.232 1620469.75 1295319.6 1421733.826 1382076.284 1234437.562 2158509.514 2295289.8 1006095.077 1457312.296 1160673.976 2104606.1 2151092.975 2061222.235 2207594.529 2475613.225 2061595.297 2809296.316 1612888.221 1729605.587 2171733.006 1809687.111 1002362.931 1150216.216 1649789.699 1984687.162 1444826.265 2322042.419 1596272.397 1474981.131 1743416.208 1933870.999 1357199.481 1808186.588 1272514.257 1155420.808 1850256.988 1238828.531 1762463.232 1448466.831 1860650.13 2136149.19 1072830.313 1898366.154 996524.1872 1261948.351 62247.24868 49396.31191 1099693.356 974506.7041 1535270.028 1724731.088 1218635.242 890033.4458 1529468.597 1400808.339 1522702.211 1801982.091 1183635.22 1993818.265 1677243.505 1309237.73 1291600.803 1492327.219 1445693.915 1508991.33 1506417.382 1032927.482 1333005.126 1492735.018 2073079.441 1279817.937 1638066.07 1689418.58 1412557.738 1412007.86 1395829.208 1751975.082 1544180.317 1504950.388 816693.688 1763579.764 1801798.003 1194745.089 1382785.314 1282391.168 1103861.24 1600682.599 1613077.265 1888942.014 2238284.98 1488535.821 1013798.643 1409105.292 1753818.156 1978285.756 1196449.039 825524.2029 2168947.379 1954382.999 1085104.605 1169922.674 1472539.558 2140080.097 1688816.373 1900435.52 2304555.362 2051501.679 1301751.528 59807.02067 3932030.498 2204210.277 2240068.094 2241226.349 1676074.144 1446507.373 1933956.214 2189100.81 1679176.107 1211818.287 1327141.793 1174080.979 57636.28288 62778.69434 52898.5722 50215.74682 100502.5102 Omeprazole 52379.71034 126694.1408 161759.1296 1112212.83 134355.1935 3645004.132 164316.5988 135255.0588 117652.2878 110773.5255 7078962.139 150578.5494 138381.1257 137222.9202 131824.7581 152419.4059 132592.6129 95274440.6 136670682.3 138027.6476 118985.8912 137056.5696 122055.1496 164442.4779 150221.4881 177334.8943 1115630.275 126996.1888 137569.5435 146029.6953 173175.932 131310.8507 127217.3393 129445.2443 132771.7663 145435.1584 130360.5323 153779.3603 151043.2955 134523.8675 13447080.38 125941.0633 159792.8631 139949.8743 141702.0228 194856.7616 127673.8188 174001.5198 193192.2742 1099657.853 162154.906 192353.5832 215075.4561 120630.9169 145615.5151 133931.5593 170704.6238 45049417.48 155759.6328 166440.1649 135583.7428 178837.955 63830650.83 151460.5231 115204.5676 139109.2053 145966.0075 160743.1304 124396.174 189250.5738 127597.6466 197783.1333 449355.3489 224717.7194 165800.5531 36083529.03 151169.0619 153141.5741 188373.3169 129169.119 122010.7411 144369.4606 26151416.42 244823.8931 195961.6194 133271.103 165575.4831 132042352.2 158283.3414 135747.8932 154517.9494 3969542.05 137219.0596 226301.5143 1354608.18 66273.62002 52591.43939 185368.8376 1100585.109 127641.0227 137733.9548 162668.1062 142918.5942 146949.9329 162609.6285 124624.6708 131531.0622 123215.5776 225616.503 142538.158 179927.7427 140050.8139 176090.2395 423172.6063 157740.912 232387.7723 1547115.188 228127.3795 194441.5897 148410.1694 130580.0773 143580.1416 177090.8773 138069.1695 151135.6513 187598.1542 149629.9935 207645.9888 218362.6857 148845.0287 134443.7977 11924667.86 224018.9329 1549186.431 178963.0081 217058.3252 185052.4219 218500.1338 149436.7005 232611.5965 283189.2165 179903.1462 161129.3487 158811.756 158668.0266 160417.7124 195624.4668 188906.3426 183036.214 225565.5644 1665740.844 260209.7078 15399671.66 184849.9031 186875.167 148782.8798 396133.0569 183279.4892 63675.54947 142076.0253 130548.9322 174007.4739 178282.9306 149111.8221 190751.8557 160847.2611 188290.8228 218112.727 243900.0194 1524898.552 155969.2021 61364.40071 66839.44146 56320.23821 53463.87823 107003.3666 oxisuran 110990.0391 3953458.007 648024.8464 1103654.57 157188.753 14867473.4 160360.6647 22056195.8 157868.9433 171977.0718 219723.9936 161434.6352 331898.7418 148561.5273 248377.9051 165855.9199 226263.7914 444173.4344 159795.6259 163966.4803 237606.9396 141676.3943 158530.9734 149584.3605 199564.6232 604878.0788 1244966.246 151018.5263 150716.6979 339452.0846 141916.4594 159134.564 191136.0807 2176798.772 157104.8903 152708.0244 143722.1301 160324.1299 176485.2549 161112.4416 147546.08 168930.7198 160996.5998 152598.2159 140714.8322 151777.2406 149696.7141 155134.5851 450949.3418 947519.7194 165988.3884 166987.5611 173494.2389 152110.0415 148323.696 173949.7398 176018.9065 225226.1423 147695.7329 137184.6076 166107.6625 192310.1234 154226.7442 134026.4682 157607.2006 151639.0552 163469.0079 159948.7463 160980.518 2872909.439 171472.7243 539017.2826 1020562.75 144355.0235 394241.4672 16453537.51 158926.1011 23968211.43 151041.9168 168823.4014 155400.1211 167515.7852 183426.834 10677765.88 146268.9622 276196.8128 219010.7149 23506189.13 154077.0865 317133.8522 268590.8726 9066439.198 140809.2632 644775.2557 536587.4264 114224.9294 107560.0193 510176.9605 748362.617 187512.1371 2269089.936 161751.6535 158642.8992 173646.4772 148091.7945 159887.1891 217403.8205 160182.2921 162360.5946 158931.6477 181080.5387 1164840.015 147624.7364 196859.8253 31088215.28 576647.8977 827488.3045 249378.2801 171221.4098 151995.6085 15007862.85 1036732.557 217532.8445 172359.9398 179186.0984 194360.0007 159787.6405 158058.0208 157985.5029 234292.2908 266945.2044 222072.5859 453440.2579 727156.6746 239972.017 188953.8833 171581.0121 195288.2012 162540.0531 194052.1838 154914.1505 218360.2151 285771.2522 154593.3567 4707605.253 370286.6369 260012.2279 5069887.025 225642.9012 406026.7081 974316.3907 178833.9657 161842.1455 192884.1473 196772.7434 205531.5425 272901.4611 322340.4416 100842.9608 405738.4467 11419241.31 192297.9449 8892977.874 226978.2478 153055.0397 213196.0149 160134.0513 434646.0155 272564.9312 670887.0581 1610467.339 166959.8401 132200.828 107884.7283 126111.767 148966.2158 p-cresolsulfatepotassium;p-Cresolsulfate 731432.8338 1147861614 873160935.9 1234411317 772873657.2 1568626702 2850295441 6001874026 1326221885 1464197197 1623282352 152902081.7 720769369.7 3004196806 1296242519 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26442091.82 16086331.92 3977691.617 80589846.57 47705143.42 2687314.694 24224132.3 4259228.383 18090765.98 117920.6784 114379.3045 82245.52889 108376.0455 93391.70001 Pantothenicacid(VitaminB5) 53235.86753 6510752.76 4113318.019 5722109.386 8867071.549 4812087.469 11796546.11 9919807.794 16693425.98 10722797.44 43676423.83 4204240.531 4557564.277 4811026.361 12110709.61 9012947.105 30233108.92 11375627.75 19137703.08 4052496.032 10432452.9 7350513.575 6596471.756 11632835.25 17192887.91 4536746.765 6301345.101 4200847.349 2025963.787 14324839.67 10093601.06 28134509.77 54578105.95 5483113.712 6731444.56 5796086.805 2382441.429 10694867.6 5507169.891 3714022.468 6540732.21 10381859.22 10453344.18 8864756.601 5872503.088 101082.5157 27966389.08 16056232.9 4246126.356 5911729.372 4994155.512 5264002.046 9465100.598 12363576.92 35223570.93 27743409.59 19555675.74 36002571.02 15311627.99 51704.74926 6939070.597 7158596.119 6506258.167 4280154.696 5684923.256 1972623.322 5672592.515 7673294.709 9660908.687 13234532.74 3432435.077 4467622.659 6559935.399 7564687.996 21670894.94 4334747.195 6573052.446 11303079.81 4779722.242 16435780.67 3511942.104 11549555.5 6029192.699 8321821.277 6890107.329 11466777.61 15380838.76 4188869.76 3941450.207 10892450.37 9192276.285 5215747.432 18253596.73 4879769.186 6345761.692 89019.79172 53293.31851 3858797.124 6032352.873 9434293.737 3587382.813 6964185.79 7858173.295 7099607.317 5052162.779 2435147.317 55485.1706 18090058.95 6447806.686 4892135.075 4971692.73 6565739.337 4320738.239 11378765.79 11378413.39 5127535.993 6361896.939 8533833.61 51506181.42 6383486.834 6175542.874 3929064.194 4933789.86 12049722.09 5963697.927 10282867.18 8853970.307 3614525.759 5700606.829 12630631.89 4375292.387 4192353.473 5064947.483 7166911.014 8550226.971 3493110.384 5385594.27 5460724.491 4289962.76 5219159.31 3080625.155 3059594.354 14943421.26 12858983.79 10690173.09 13014039.71 188841.5215 45543414.36 14623434.53 4482686.334 6954947.125 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1131239.297 911158.187 784619.2014 1348068.463 1442997.827 3309981.632 1326055.898 883486.7478 1162790.624 974925.929 1010947.941 776859.7191 199551573.6 4702969.416 84192697.9 98851400.22 1203145.818 38924559.78 618013421.5 983518.1388 1699480687 986889.1187 1003998.991 1411841.131 1054648.083 982682.819 3009397001 1891717.375 1061814.159 3143484.318 919464398.5 1136057.806 807602.5019 1338476.764 292066838.7 894600.3344 94260379.55 86477043.39 1649722.761 1077683.724 104491215.5 114082670 9215533.176 103273089.3 1247322.416 858560.1285 764934.0943 3299330.528 1130877.522 1438590.195 903169.4912 1506617.308 1475059.812 828096.2214 54387262.87 1323737.209 3964828.929 1039552413 142572872.4 119409473.5 6753139.225 17725573.81 973305.449 292476513.4 28920596.81 1349960.48 1140073.842 922176.4242 5295900.077 1530354.002 967677.421 1854301.088 987819.0648 798912.5918 1321473.83 108566661.7 109338871.5 694359.6991 670040.5911 1690844.665 1306457.368 4788573.061 1200484.726 1172854.818 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34792506.35 53688014.72 32218607.88 52504640.77 515655.2574 184472.9672 32657388.51 25380609.74 58560155.48 72158560.93 8240358.159 289985.6573 100927479.4 94097602.08 26329498.29 40661162.1 157192.836 635188855.9 17085238.34 31326158.63 61951654.22 19487779.14 56549452.37 34529546.6 124587704.7 63201287.81 5741909.932 59319144.29 81818.8698 183487.8821 7134355.947 118466688.9 41939120.18 42959006.58 109459583.4 12032806 1392577.483 25438614.23 35222820.14 64412897.88 36073137.87 37321.21574 29391.67067 266657.3378 29033.23783 33026.28311 PE(16:0/0:0)1 41339.03403 9823292.672 14861649.04 17123447.93 7667402.307 6966912.338 11326670.9 13301222.32 9891250.417 8280817.066 11667901 7447620.269 11078508.16 8029109.106 10282017.64 7527097.988 8434743.788 12696298.57 8378056.288 9389149.268 8087718.402 7198371.464 8153010.22 5214925.662 12871491.41 13647624.58 16420828.03 7533712.025 7783779.439 8508466.359 8988793.609 7790689.837 8150559.603 6915937.503 5825654.955 6733544.2 7343329.714 4729355.698 5786498.694 5690085.093 5170570.217 7349959.425 10148105.57 4141558.261 7218003.159 9103753.934 7473818.283 7961338.704 12290682.38 14316807.06 7385325.588 10145844.23 5532617.558 9608108.876 8169192.256 7063201.674 5789009.527 11833942.38 9397149.728 10695542.19 7880316.727 4302436.925 5684450.942 7589387.793 3523333.403 12424655.48 4782364.199 7907967.471 5181187.117 6175691.225 7134853.791 12253736.65 16391194.47 5534448.397 6453369.84 8764717.778 5982314.438 6196897.064 8272208.248 8979068.199 5627679.4 6590817.391 6428903.493 9277160.696 6254029.358 11488717.96 6231708.915 7588840.115 9529480.864 10738702.68 8088495.824 9992512.905 7790949.644 13164614.91 15446998.39 44845.30145 41692.86201 11446099.1 13955435.55 9278405.266 7942558.803 5561694.841 9608856.523 6816655.442 6194326.532 5413630.558 9705743.289 6723842.589 6372065.402 5310406.842 5804813.111 11547187.48 5954458.706 5947265.734 8964600.383 14234410.16 14943923.66 6338588.617 7380741.888 6934464.888 8410234.494 4645907.589 8377249.585 6220135.967 8301826.063 10630837.34 11550680.23 7714738.559 6247564.956 7443606.415 5934349.029 3679351.42 14898101.73 16263222.2 8335326.252 23049562.65 8342163.067 10163525.47 7519463.214 13627603.67 5151171.082 7287273.497 12190655.83 8948397.803 5943655.286 7466277.449 15005761.67 7200978.837 5387423.139 15712538.6 18666548.21 8350896.156 12296347.51 7360347.323 5437695.062 17257231.57 8659750.938 12339204 61384.1736 10455576.93 16718302.44 10977380.31 9222999.681 5408943.313 6359112.062 8061327.738 9034480.16 8837047.825 12586524.14 14818033.33 12402807.84 55164.41991 38103.48889 46162.97402 37638.81501 42815.41617 PE(18:0/0:0)2 65170.91576 55916395.07 102740067.1 103870809.2 45722022.95 37086431.22 52905638.52 48192480.31 44416491.47 41526421.57 45534485.07 41442636.39 39989480.4 40511020.23 56245298.32 47174679 33226905.71 39051634.95 35691068.94 48402855.75 38355681.34 39453082.44 45086419.64 33132970.13 56011739.95 99935040.68 101046290.4 40791232.82 35613910.24 38493987.61 44949255.9 48454925.05 44658976.16 32552993.38 32721666.83 45164321.14 46516703.72 33852441.42 34410534.53 38013725.64 36475560.97 39890073.11 46643155.99 32867136.06 44713194.04 43952062.91 37377666.53 42054912.82 89765702.7 92140714.76 42016598.31 48824384.34 35466774.13 44670931.76 45483616.06 40865112.87 40197883.21 46216957.71 50837652.66 42131941.97 41947477.59 34531455.59 35435819.1 37111331.24 31750248.29 58714186.77 37010606.67 35750122.63 37702039.67 40151999.07 43274014.16 91185304.48 104319203.5 34761667.26 39773820.19 39954089.06 39786212.12 40012259.34 38148905.79 49466907 32987277.81 38258089.81 40621677.98 37708433.34 39840970.84 56142754.28 30220127.12 42274697.94 44158986.55 56852260.05 48453852.16 58697057.11 44149163.86 103563602.1 107050919.4 42882.6061 111251.4357 93822029.71 93236010.25 45477484.3 49848649.66 52081755.95 51449249.53 40533076.81 29626878.86 46358810.13 39501066.14 32813619.82 29736007.04 36716378.76 39032379.53 48930181.47 38539887.17 34361236.33 42508186.36 114240069.9 106971039 37498557 47339770.65 42116346.39 48932130.34 34665407.87 34418537.07 39250672.49 50642168.63 52680943.15 43220796.64 40373566.55 48780054.95 43781332.7 41717609.38 24413825.57 122996442.1 111379980.6 56546442.13 76249820.4 69747007.39 59165378.48 48890536.06 62440910.94 41581411.46 52099210.06 61039013.26 54785626.31 36732717.26 46536328.39 63100577.44 60101928.52 44865435.98 127359657.5 126796119.7 60609228.35 67855032.39 48169250.22 32873729.91 64897401.45 54342269.59 61403070.4 58697.63949 66545591.34 70028245.94 82831340.73 65212615.04 43302348.02 49502750.98 68628616.93 51526509.06 63249432.49 112379429.3 108691891.5 84050699.74 97379.49647 251488.3433 500569.8781 269780.8765 132365.1336 PE(19:0/0:0) 33093.16194 860213.1577 1619603.281 1783551.274 803513.4569 783486.0705 739413.6824 206497.0289 554483.1007 512468.2164 467774.8345 493823.3383 580556.0527 644329.0999 935282.6927 527791.0759 468568.366 595149.3222 455642.2946 658278.4835 780017.9092 376934.9798 911149.5535 557812.7068 1096004.143 1580892.702 1660127.97 592481.7119 577774.9204 580257.8797 763012.4851 914514.3692 731632.9813 451537.7158 446129.0551 716420.4022 678210.2959 464169.2577 438325.2897 654731.0824 542151.2239 597979.4575 797471.2193 468952.7944 741627.9142 516291.6751 650500.5062 490335.8864 1273940.2 1420522.527 684958.9606 444196.363 498575.4403 991143.4848 530600.9497 715481.2896 794429.6989 678124.6961 825408.1453 448856.7568 754769.4868 218554.4162 496446.9217 684208.3001 418355.5024 738562.9208 658784.6856 592556.213 800676.1524 616215.7998 734573.8454 1342653.395 1633495.28 520885.9743 705938.4344 778797.1405 509037.7296 671875.6154 463832.8095 925633.7134 642022.0767 654003.8962 815234.587 508846.0005 756108.7431 1043869.943 436623.3821 508083.1272 718640.3854 812039.98 672172.8286 1051769.762 719212.3517 1639236.133 1301613.805 35900.03632 28172.96312 1496409.678 1546935.227 671267.4402 939241.9748 856819.7837 933929.8693 711623.8605 431088.9836 904484.9517 642088.4353 644892.8449 422002.3099 485712.1659 574441.8147 882480.4869 487601.4463 481801.4254 893084.1811 1896743.162 1666583.058 519819.7094 911733.4547 814475.0993 1087244.366 598233.1748 551610.473 718848.147 902572.3323 613082.7245 724397.6711 604259.3982 1138991.536 745995.5476 404422.004 396003.2297 1780548.681 1654276.091 1309175.036 862861.4814 1608164.897 1022216.401 910807.3685 1053957.679 863143.1677 1142918.456 821174.4443 1009722.445 585981.655 801316.9396 531435.5325 1051158.329 587380.661 2332882.825 2095132.949 1003897.843 758992.7786 715203.4129 568740.7693 1028224.772 906816.6649 1095091.012 41845.15866 992740.3334 951631.5393 1624252.826 1336510.938 880102.0065 824111.6495 1158040.464 994455.0309 1116249.042 1118932.156 1491527.484 1478668.134 38732.38081 30503.00903 36954.87354 30131.02337 34275.05103 PE(20:0/0:0) 36466.01525 6548780.006 16595436.21 15919279.5 5059978.44 4930095.71 5173771.033 3456832.68 4232762.989 4425385.33 5136839.618 4153373.662 4319470.839 5298160.837 5835032.934 4655001.415 3351017.905 3868922.83 2951760.821 4929036.487 5015288.441 4159478.737 5255264.858 3816648.831 6378466.029 15472709.88 15068007.48 3984683.705 3636433.958 3950399.041 5910212.719 6523993.355 4807221.828 4007145.716 4753460.343 6126279.832 4619490.997 3486486.638 4104771.015 4690202.412 4842769.977 4219293.085 4451490.211 3979253.467 4468236.003 5109226.439 4565122.609 4423907.874 15080174.98 15002376.52 5670866.357 4371009.296 4192885.954 5781611.908 3652498.901 4824965.639 4263734.706 3680187.459 6327496.379 4504686 5624115.108 4263315.116 4272923.231 5719828.298 253491.3513 5003345.57 4585343.063 3856722.632 4750867.572 4838971.28 3757701.844 15692318.28 18674871.59 4506920.866 3208072.076 5607794.022 3862479.296 4410904.607 3650464.356 6018223.025 5014689.178 4707927.621 6286409.511 3816951.173 5293578.309 5656375.032 2661659.567 7161364.085 6292310.992 6153989.022 3347380.28 9962910.811 3550240.417 19229816.11 20112730.63 39558.96612 31044.35003 16052760.33 15875532.99 5365840.248 7127635.112 4736272.567 6699215.298 4221006.927 2281003.5 7290242.587 5414601.855 4860766.493 2808057.039 4939619.732 3953523.467 5140369.116 4362018.46 2474169.561 5770167.853 18389928.57 18264670.59 4011641.739 7249102.538 4617282.11 6777692.428 3361942.426 2906412.327 4620589.599 7818247.164 4888602.273 3405852.482 4014147.495 7441121.667 5735502.219 5590279.344 3122466.747 23003189.27 21208142.56 8413813.019 8013485.594 8985355.63 5923177.395 6583389.709 7608054.089 7141736.142 7576148.429 8140463.176 7701936.179 4145454.671 6335216.429 6874285.835 6704523.221 4271501.542 24142720.9 24484138.51 7154887.765 9639073.703 7103021.372 4537466.214 7424443.522 7893832.06 6540575.416 46110.01501 8741457.894 7611946.299 10464022.52 11624859.6 6201507.42 7081954.546 7254860.783 7019776.371 7119246.04 18260884.47 17671329.13 11475644.76 42679.98301 55286.00573 154845.279 33201.97567 37768.36242 PE(20:2(11Z,14Z)/0:0) 36830.35 13788205.07 11656453.92 10547072.46 12417628.42 8321579.653 12573481.38 9847677.48 9645163.002 14349121.17 10507262.85 8524419.07 10506964.99 9049074.013 12997690.4 15285550.89 10141919.12 5784154.642 4155187.997 9600115.625 10275961.92 9879214.453 12043680.13 9088380.825 17614142.47 11660127.36 10571266.11 9170313.324 9010789.274 7013277.443 19197865.52 12788987.36 12841909.69 7795265.254 6058096.606 14239198.05 10590228.64 7245457.193 8232744.228 12317531.06 10879048.2 8657610.425 12467374.28 9366129.566 9587651.646 10141104.28 9222067.794 11061064.94 10447088.3 9850297.962 15256673.58 11157075.84 11847023.42 11503611.07 7321857.914 9218568.36 8640114.387 12491971.72 20127857.52 13231526.77 17611998.7 9302844.878 11997982.94 10387526.37 9794187.932 10874832.49 9459249.216 6506291.485 13667947.29 8653367.6 7337924.218 10967363.05 11094172.21 12821193.59 8410815.368 12447699.19 7653837.432 10774515.54 9983955.304 14107238.1 9757094.393 7753891.809 12487863.6 8267252.801 14426597.28 17240982.16 6788615.656 12311681.43 17293381.47 11568598.52 8981612.813 19933123.58 4840208.569 12562938.02 11272400.29 39954.20278 31354.5165 11720670.73 10263712.29 13138525.13 16415077.65 15166215.11 30169349.57 7816490.315 6491406.923 10213004.67 13616434.87 11871510.37 10712476.02 10307888.73 11765982.8 12880308.37 6817761.542 5195675.721 15186237.37 14321716.88 11850835.57 16065899.69 22221647.81 8542447.811 18454991.14 5900273.245 5593515.693 9532040.338 16815342.41 18731327.01 9999348.8 17706574.1 14988509.15 13647841.61 11913261.54 5076376.088 15464998.71 12875502.03 25273812.84 43943280.18 24354136.53 12108111.33 18196278.83 36092002.75 13891037.56 21601554.63 23754627.64 20480781.91 8113358.881 14654462.44 20684047.25 14598376.68 11547580.14 15054885.54 14475863.22 25797693.64 17152446.2 16806571.31 7442702.727 16692447.46 14890411.8 39219676.16 46570.70369 16626295.02 18945030.16 30120681.23 16727812.48 17923381.32 16067109.85 15065598.01 16979784.96 17227003.47 15188402.52 12704162.95 22763510.03 43106.40198 33947.6929 41128.16204 33533.69915 38145.70901 PE(20:4(8Z,11Z,14Z,17Z)/0:0) 33463.03317 14680737.23 9563167.245 11070490.39 16860977.35 11391214.22 16791598.87 14725808 17095110.23 19334371.13 14699588.07 14358598.2 19549944.37 13163846.48 21860390.81 12436714.49 12511234.49 7848474.57 10838060.92 16909377.99 11139645.85 13526155.9 12854944.55 12348398.13 17141254.47 9428249.767 11308034.24 15949199.94 16563051.17 13476983.21 14384875.73 12227776.31 13477567.51 10451960.18 8847619.187 10797317.19 11203723.36 9486578.284 15836493.13 12856230.45 11535113.51 13892002.04 16939719.55 9963468.071 14135045.79 19933690.5 12727421.75 19252093.72 9527605.299 11150128.56 18532724.33 17843295.8 11367453.69 18961415.71 19356667.97 13195436.42 12218196.47 26348849.45 20030753.84 20239359.64 22996807.68 13237626.3 11338815.1 16946863.17 10250249.81 24376794.86 15877794.91 15413452.03 14065104.77 10597755.78 18819483.59 9690935.537 12611985.41 13737593.06 16112902 19191704.06 15384195.11 13366134.03 17306534.36 19526783.78 13264211.74 9661779.184 13905497.19 23865432.8 13667501.24 22736441.27 10440456.7 16036548.06 18125432.4 23438000.69 19313306.98 13682771.73 10370806.37 10292054.92 11981281.43 33738.23155 27867.60534 10090943.93 11211956.06 20018901.58 25927085.27 18551501.94 21827232.01 11634336.39 8259498.955 9920368.05 14537372.32 13450480.79 18626653.63 14053637.39 10384124.26 13631769.06 9066123.657 10393653.73 18480192.63 13371472.03 13232266.44 13518909.06 16364212.9 14961627.44 23701542.39 8410563.814 9698386.466 13481528.57 20606396.71 20024410.75 15522776.44 27395902.37 11459473.63 10334662.96 14334111.6 6235322.649 13905145.89 14188931.28 18054634.59 32995108.89 24275093.56 18270089.44 14340233.55 13104996.84 11607048.5 11398928.43 18035017.89 23960673.72 9912531.471 12613914.38 24905055.16 15441612.23 14641996.39 15496596.57 17651343.19 13300572.58 30711061.51 16143021.35 10453608.63 17291462.35 20250751.07 19733651.75 42312.84804 21790394.44 28968627.3 18259246.65 21702998.06 14858713.96 16859474.54 20748057 18350893.89 21715458.2 13072787.25 14315985.74 26379360.76 39165.27971 30843.93099 37367.90584 30467.78777 34658.13185 Peneciraistin C 310304.8498 2115771.433 339738.4288 302803.6591 705739.8723 435161.3198 349356.8032 783500.8696 367013.0081 476798.0942 454261.2652 333845.1051 686173.3208 339346.4784 513500.8679 342893.4583 467781.7586 195693531.8 409710.2013 338987.1974 491232.7836 310587.1624 335269.089 384225.2173 465218.742 349504.5084 379756.9204 319618.6312 318784.4118 701789.2352 299563.1778 343787.0159 395158.1091 323184.2654 367482.4022 366125.016 302518.0571 387184.0156 379577.5277 372524.955 315876.2777 349250.3539 403372.255 363152.4536 318928.6296 345727.668 552014.3638 307543.8721 300763.7095 378283.7441 343167.3259 384620.2739 469587.3555 335717.0156 321658.7339 368126.2452 3373192.745 548590.0891 314422.9072 1135052.042 317808.9326 397585.3457 331444.7448 295404.0742 482963.8564 316093.0501 546779.1457 403095.1945 296111.6531 467051.1562 374778.1279 300568.3916 321232.7328 305758.6448 415833.7511 286464.8975 357626.0196 315479.7012 346959.3195 352321.4083 327898.97 479106.3742 379219.8763 342189.883 405025.2615 571014.1691 341740.4222 333250.4413 319372.2825 655648.1274 668695.7591 330467.2375 291111.5578 441678.9055 561149.446 194243.755 187687.6661 399492.9116 309584.0125 338328.412 312884.7902 380865.6424 360370.2232 358999.7939 325329.2056 340586.3198 296164.0421 340264.5393 593303.3289 337385.5906 374369.1041 1426174.514 332394.4599 557660.5822 395961.9524 335991.0915 324852.52 552932.5643 340316.35 312844.4118 510317.7939 321632.3083 556031.3216 408014.2078 24951215 401823.2982 330347.7901 1229600.26 346278.955 484380.0201 551887.2304 370297.1516 319062.7649 485298.5867 496122.3864 370719.7797 428873.9167 391745.3173 298940.5346 401186.9122 349116.379 374451.4267 590808.5341 378003.4988 356018.847 403958.5608 537553.8724 404452.3267 466498.1193 382808.7565 348220.4193 331767.5399 414437.6674 398772.0929 334062.9539 424919.5411 395906.4355 666412.3223 307115.8131 462446.0729 499317.0468 364836.2529 364324.5982 319610.629 322683.0346 440765.2068 386947.4562 518604.8045 304646.7871 325396.8168 4777676.088 375518.3272 325607.4036 265105.1807 446113.7207 245189.4392 Perfluoro-1-octanesulfonic acid (PFOS) 95206.25511 34956640.18 6570290.47 11453953.17 31903068.4 6178669.443 8540054.678 24758717.47 11829765.48 18038134.32 13725625.74 14384789.41 11954155.49 36660091.46 19356174.46 8682999.732 2939028.942 24535132.79 7471520.965 12465702.87 8584585.218 5638785.617 16413529.72 20802334.89 17077869.2 6527099.58 13168759.59 12971289.62 5946201.462 9480727.312 19725872.58 3456173.124 17862485.31 5172831.83 12927005.6 8331455.962 4166193.881 18835743.95 7444978.758 3683132.038 29262640.93 9173278.998 7335407.185 9306145.083 4204591.436 42321869.57 6918696.668 10295075.03 6535867.746 11620951.02 10100952.09 9278166.873 9802910.221 14187412.92 6975112.078 6466730.792 5743382.866 26144806.3 22887597.96 11571328.53 21018095.06 9371722.719 13743307.38 4594957.847 7404974.611 16573872.64 5161714.831 16186124.79 9433156.739 9598044.195 16347168.21 6360484.341 14428917.06 24190153.12 14671872.96 10892626.39 8158568.298 14772735.21 4274538.322 30693332.35 2760003.239 7948925.745 11228687.68 1487704.822 9222123.659 9123451.631 6787666.03 15147357.02 8614393.034 6955483.711 11854983.7 26052306.46 4622690.098 7194549.056 12263646.65 108380.0954 87033.73734 6136354.898 11669945.26 64340052.68 25977650.57 11776310.39 2175440.444 3358154.445 12965376.6 9658980.131 8548495.896 9477994.731 42076515.89 17809320.45 9045865.033 26492783.1 5736254.374 4929699.249 22271803.3 8569445.269 14303111.9 5969574.224 9181132.077 11205193.08 40202873.41 3372264.155 91771633.43 7279330.92 18458106.34 40295195.22 39195357.31 8299096.259 7518974.31 19163179.69 12659759.65 16306505.2 7475551.628 14086326.21 24578092.79 37248284.9 53147687.31 8225636.907 10279556.38 44475548.6 24751230.99 35486939.81 30912443.85 18853680.52 26745029.63 7363355.627 34881854.71 11491290.62 6770907.556 7187232.71 14078277.16 14986297.35 4232068.38 11006547.57 22917849.05 26746744.34 6380462.96 40745837.51 81257.49999 17216394.43 11897427.05 3772907.217 10960029.51 8470045.987 5834914.295 5887061.103 14808720.77 4234046.246 7543092.788 14451679.45 37743555.98 136478.378 89035.38707 96627.41216 134262.5263 117873.6811 PG(16:0/18:1(9Z)) 18602.82194 4202628.641 4377253.004 3969281.967 4236775.964 4990439.326 3347816.686 2516958.704 6336138.528 6339449.469 9351782.802 3165300.456 5240527.014 8120122.356 3532511.521 5757341.285 2812979.472 1966376.233 3441529.401 3091188.737 8247319.769 7756559.796 5501149.947 2376876.344 4653646.407 3791854.083 3675289.067 6838619.933 5337055.902 4369293.829 4991783.101 3866244.946 3623189.409 3357550.077 4280618.184 2900898.856 3054268.843 1211515.015 3649953.942 3468063.615 6687659.595 2820770.942 4030856.035 3133516.98 3372321.615 3994987.686 4230843.345 6955278.358 3595391.578 4052401.785 4507669.162 3006573.703 2142719.051 3299005.545 2466442.006 4745837.741 3653816.298 3899919.515 3497174.218 5925305.675 1040995.311 2605957.738 1814653.806 1851805.067 8329397.154 3791274.565 3153474.866 3470421.577 4238242.232 2488863.565 1704070.428 3748414.737 1951798.237 5021228.372 2065869.468 3801124.861 2239836.911 880217.1027 1514013.807 2050384.085 2651946.543 2970622.054 2583467.521 1199141.454 1843142.787 1379204.961 2504193.023 2766675.397 1821773.933 1178933.453 322794.1613 2061690.683 1608293.843 1253376.551 749087.4519 18627.53714 16364.24925 2125851.206 3105123.725 1941605.079 382593.1647 924410.7033 3133962.122 2637278.17 1108073.935 2019545.861 4137215.448 1816235.727 2016168.003 1510288.588 3652010.607 785593.2888 2068194.853 4469944.521 805072.976 2087803.509 1983663.649 2154278.297 576180.3458 2134177.192 1367200.391 975307.6855 3115442.147 2760042.897 550497.0413 2170342.591 668882.3064 723790.3343 1445534.199 1803015.254 961716.8866 1086963.025 446222.4861 496437.6781 324631.0157 629827.9949 347820.5362 834217.3151 620943.8238 137708.1222 1178900.07 850323.6032 224915.5348 290457.7116 868721.0386 1607471.5 828896.0773 244772.063 506865.4 306471.9899 555763.0776 486967.0683 311068.4736 285490.3648 651473.7704 160547.0151 518530.4345 347930.4946 191265.1098 299720.8168 285077.9996 263392.8049 130055.0005 246935.9582 212137.0269 163236.5452 366584.0123 366036.0001 1419428.694 1202301.9 176151.9846 22998.40231 18111.98947 21942.95913 17891.11289 20351.74179 Phenylacetaldehyde 25060.62346 343826.3075 1890345.954 571952.7719 509543.9011 525408.8766 81817.32902 267642.0599 121878.9993 93244.22271 252385.1508 288676.5299 215365.8272 327916.9182 309849.0643 247653.4342 367069.6677 3727858.093 187387.0534 233809.1374 256394.5737 110185.2154 207420.6146 207625.0944 345298.3159 1955491.94 765816.4973 357573.7799 217221.8681 239058.2667 494256.5937 209989.1198 111754.8343 483767.1825 366594.542 363334.5823 207965.9944 267847.7812 187878.9565 210373.1229 372688.2597 359480.5122 175249.4752 316900.0437 151866.4539 392919.4423 172249.803 356552.9544 480657.0002 864726.8155 359731.6638 981719.0596 76618.41177 248592.6849 80417.28487 299808.0432 633405.0726 424182.6382 181337.2187 320018.2136 369886.3232 235949.8429 555740.8224 145138.258 223897.7523 214752.9176 127636.2325 365070.3558 183156.7429 82482.33654 353956.9802 2488719.359 683436.3964 131120.8416 119161.866 385650.4039 337043.1285 499411.1768 281185.1178 590278.2416 162604.9608 370991.7442 262148.1854 769615.7186 326085.6132 100305.789 300505.5287 697061.2488 388330.389 3055752.908 595997.2262 387244.3123 89088.13856 2823834.684 230794.3862 24575.79058 21589.77644 979647.6993 318826.0937 431050.4243 151656.2383 215371.525 223631.0663 250690.8799 283764.1107 465929.6662 219845.5646 207647.4652 226945.4549 231073.9062 406221.0892 1572368.605 434968.6264 360717.2397 212690.7115 336189.864 524044.8454 971219.2469 153310.7048 174255.2269 285080.031 363455.4397 667359.5668 324848.8898 1415206.628 475007.7672 93174.98672 168223.7967 471796.7705 1499691.77 405391.9469 489369.8819 473246.0299 2002649.56 565446.5186 1410575.097 628176.3623 269875.3752 499934.3536 390776.9388 179700.4141 290532.9197 1072822.352 266035.8633 235192.941 108811.9011 506326.6338 142653.5473 1172086.994 610327.4064 813042.6227 637505.2261 674330.4648 493449.2841 295035.474 192441.0997 107192.7497 660754.7984 32780.89089 278491.262 186524.259 2443908.072 154467.3037 449709.9418 106830.7616 346598.4013 374180.6325 117386.4674 1557494.944 1268712.002 413005.4845 30342.38583 41841.65978 28949.9124 23604.20706 26850.57828 Phthalic Acid, Bis-Propyl Ester 71856.61634 172290.6807 625847.4658 722968.8939 143642.0293 292282.0946 531775.7466 557814.1327 260295.2683 915424.3463 177127.8973 205216.6434 230244.2847 244873.4106 141224.2502 1497098.901 1217300.312 133578.5534 151500.1305 266465.4199 2010683.64 502327.5008 148748.6306 170423.4927 190530.629 683996.1572 202648.2058 193889.4494 303350.8568 151343.3777 387609.5353 1285874.419 136303.6587 151414.94 1767245.654 998326.9301 663095.2936 155163.7645 302722.904 1366924.938 291749.8248 135839.2668 200065.1257 358650.554 510337.6379 513278.5866 805320.3538 188140.9451 819251.5657 985846.4159 144094.5122 226012.6162 2047693.959 286467.967 153793.0734 272452.4293 188502.7091 274125.8168 359712.2345 236842.5762 6138033.326 395953.6177 203848.1477 158705.7713 601508.5562 131013.5296 142757.5425 206511.8033 134172.2779 198578.5369 152518.1477 728798.5667 571690.3374 214130.7306 177440.5218 140421.5703 305342.7741 283814.0884 404212.9158 140128.9936 1205469.803 533449.5676 3010666.272 295199.0124 577825.1365 597477.1881 226564.6583 604040.6625 1854302.293 588023.2899 327680.4799 282197.9106 119942.7445 393171.0219 461020.1613 96225.4794 61864.52177 192993.451 195830.7932 174792.5826 280565.4537 170731.1946 403234.3973 202716.0681 370590.8972 1005883.112 315535.6318 238427.8141 471486.4065 640222.4545 210815.6506 182666.2451 2672071.033 151974.247 207116.5128 946162.667 478518.413 275869.2934 1053431.451 452131.3217 622792.2339 196082.3318 363403.6368 167286.1505 185142.0301 1387371.264 1194295.08 417815.0865 186226.1592 208022.9699 243355.9173 178042.4608 816461.2241 227812.1909 276066.507 825481.7633 441261.1518 208432.2557 212215.3092 531734.748 120165.8018 200089.5649 203671.6178 223150.3205 319578.0795 182577.2437 324491.3744 393989.0786 206090.2196 751755.4897 558015.2655 485691.7199 228484.0082 397322.2382 416168.9445 1653155.465 1400753.074 718646.62 115232.8702 415673.7236 181965.1465 358035.3581 1988028.377 722116.118 378695.0141 767880.6138 682648.6402 305208.6918 945701.0248 580162.3111 179390.6596 149426.6084 97088.1535 65808.38806 79250.02131 92241.85437 PI(15:0/22:1(11Z)) 63351.41413 1212970.786 1595137.083 1722143.95 1145461.624 1418204.883 2209158.183 1712305.726 1818855.851 1528646.175 2727672.88 1151956.272 1453493.502 3352207.516 1654604.753 1024851.123 1309880.434 1941393.402 2107733.289 2054058.279 2888866.519 1050222.372 1515676.725 1518680.054 1329006.556 1498651.845 1529356.879 1045131.725 1365308.607 465534.7408 1676807.818 1683215.113 1549407.752 1808999.281 1824783.683 1514552.94 1172335.176 1644385.974 1418520.774 1356381.614 272503.453 1091172.182 1238036.608 1849777.16 1479729.558 2342457.586 1444977.109 1427348.318 1126429.698 1604350.242 934243.6268 1037822.207 654079.4565 1042886.815 1240384.217 1484040.603 1745425.759 1154086.255 1433993.943 1989782.637 1136478.483 1097976.592 1140435.998 3219629.365 1024706.485 1545539.379 1285493.881 2370348.869 531207.8397 1213484.089 1214853.389 1179037.312 1112617.642 1163095.777 1128565.299 1618622.852 1219050.273 1076975.83 1554213.765 936340.8313 2474882.107 2611865.066 2278635.291 2765119.54 1223698.815 1085960.222 1261664.302 1181315.67 791802.9382 928373.1819 852055.4526 1147349.276 798945.4024 1069456.77 963043.0006 56509.55442 38486.22293 1347354.689 1002188.981 968437.3927 1257653.989 1371864.8 841727.2927 791831.5879 975007.855 1291286.987 1237305.261 1442136.855 1110638.807 1265251.328 1215411.728 1505217.632 1770654.893 1020945.824 1091815.677 1378545.063 1430317.522 834768.2349 1087469.62 1505099.257 767930.6165 984846.9603 1639660.867 1272984.493 1072153.523 804284.9605 767459.4322 1236032.743 1071744.85 2003456.55 1310795.328 3186150.328 1075430.776 939120.6764 415710.3514 320728.5972 583346.7887 766225.2806 819114.9845 874689.3594 1085364.654 2029196.415 738928.337 566915.9868 1006005.631 1073758.304 189654.9048 779715.2928 475805.7596 626005.6124 479005.5931 705063.6927 365943.2661 582597.6813 879631.1224 531666.788 502409.7812 432800.0137 116476.3869 392496.9316 491578.6189 616417.0067 184206.8955 395239.472 485307.4755 408029.5047 557928.7898 283677.5016 1185713.011 1255513.624 205206.5172 52449.64324 60785.48014 60828.8655 70570.00535 56245.88587 PI(16:0/22:1(11Z)) 64122.37555 1841157.277 1956877.068 2281153.831 1699270.589 1985405.699 3067366.522 2507026.587 2824721.256 2088132.064 3724197.627 1651397.082 2352749.33 4875368.081 329173.6648 1493723.472 1993126.61 2986068.764 3080318.696 3050740.866 590238.094 1581408.585 1821431.221 2396951.035 1779611.801 1701675.687 2122227.76 1925391.711 232640.0149 2518158.668 346515.9265 2421823.123 2197681.722 305227.3124 2829686.259 2209992.064 1975396.755 2866545.138 312196.143 2001367.629 3407626.821 1958616.968 2069744.701 3185115.777 2806252.997 670277.8502 2319748.404 2753256.605 1997884.193 3035703.343 1748362.606 1799845.519 1118812.246 2182527.635 1850104.203 2333976.794 2929983.819 1843570.226 1949778.588 3517675.237 1853736.561 2030697.307 2690305.071 5915414.056 1748937.165 2779912.47 2110235.06 4026999.139 1549083.331 2218167.065 1161589.625 2381194.634 2472677.698 218849.1326 1533014.525 3414631.42 2478375.676 1593970.381 2602803.001 1732159.586 3641798.327 3710100.061 2675745.575 4745989.169 2394826.835 1906320.742 1762187.02 244283.6496 1514142.348 2128529.495 1384812.691 2026777.498 1394563.029 1728316.496 1671937.132 40091.42925 38954.5849 1718108.86 2017455.032 1695284.078 2031612.695 2304209.909 1463908.845 234196.8102 1836047.938 2441726.154 2365882.751 2425920.025 2184698.128 2635047.183 1666363.267 2415293.164 359396.1316 1681303.096 1676670.523 2057378.835 2170993.237 1343681.3 1603172.399 3044614.496 1189830.247 1657012.234 2508592.955 2503478.488 1716624.919 1465530.303 1241108.416 2149586.732 1928881.748 3095715.748 2421425.591 377329.8919 1206109.969 1262176.079 1051701.254 228762.6984 1013533.436 1346776.164 1414881.096 1238728.548 1920989.84 2655944.759 1374696.252 310530.7918 2068414.692 1717961.985 690411.5431 1208165.019 996563.2767 1116230.188 1018803.493 193458.7606 644384.1716 1260853.843 1510788.244 682446.2481 853032.3252 781950.6769 209832.2393 509788.0447 863866.524 670602.0908 503429.9783 673527.7802 617816.6581 554551.3307 1048064.706 589272.4554 1362090.224 1637532.241 299928.0488 48675.66323 43707.40337 61569.1285 71428.81414 51978.30963 Plumbagin 59123.71103 287697.4505 128157.9193 722215.7964 91493.533 106775.5642 110878.8213 98196.97241 101317.9185 90910.97018 1731359.616 99613.33453 114731.7733 88984.64011 85363.81283 93601.01253 1161399.078 102211.8645 123312.9181 219248.0705 90126.38927 182785.9785 356872.1975 108021.8377 117611.1013 144644.4711 832311.2057 132969.2062 84459.92062 96097.40401 99511.66722 84268.21644 87958.45336 88194.21068 96605.36071 94945.45612 117416.4052 107934.8441 109307.2735 99552.36365 115117.2191 83344.01341 101175.9722 98630.6285 94381.56996 124574.64 110951.0504 159286.1036 135871.1076 997455.2293 95865.43815 148194.2683 122322.3672 83168.47463 110736.9945 116498.8004 136587.4739 156432.2515 116882.5519 2124741.777 128574.2371 106855.6074 99429.55878 94006.51472 88597.56657 104235.0233 98167.86832 117340.1199 90479.05514 119706.5394 106394.1714 148965.1406 846616.2757 140511.0513 91125.19865 93946.92504 94572.79448 173688.0293 111555.2334 99330.45002 99481.94938 105074.9809 117747.334 203312.2848 135976.951 92472.47997 186417.6755 123255.7069 185446.4123 96119.473 123214.5634 157058.9642 95678.27414 140978.8956 868662.3603 79174.4411 50902.20351 132443.8994 502635.0003 143819.5489 92702.80035 104585.4328 97628.49293 88547.66979 110512.7487 117660.8903 130758.5794 264600.3017 121760.8734 20823974.65 173459.3729 103750.5956 134245.2046 117839.5855 591140.0887 171987.175 950309.4383 297618.8986 427520.0875 126077.1327 138634.0246 99148.73089 141709.7698 116680.8409 128249.8396 118158.3327 158086.6941 130766.3414 143296.3644 158075.6781 143004.763 146493.5526 161453.3936 986058.4357 227147.8566 166309.3486 141281.3459 134651.6928 119335.9975 135856.8883 163008.0822 135603.54 159320.7605 146771.2665 5431860.467 112563.9505 172119.1432 206860.6569 169571.2826 158804.8371 1148421.527 167493.5093 181398.1067 141512.4429 198884.21 205020.3006 172029.8911 196031.2712 72651.24359 197900.2809 148968.848 191174.2985 239174.8713 180282.0537 132559.6364 169071.0812 211261.6318 161850.921 178335.8451 1203285.179 472375.8948 122948.3945 67833.73954 54147.22147 65640.47637 75896.7096 pregnenolone sulfate 72595.53157 8897159.871 12629750.58 5658227.516 5019437.485 3022935.999 5071314.522 5907466.722 4535878.378 2668230.405 10573071.92 3703843.899 14445015.19 1808695.001 11245833.01 9676277.24 1636197.862 2209627.422 1783244.018 3954431.355 3271948.668 6283672.559 3434774.353 16230542.88 5046032.059 14412504.19 6867088.278 11104455.28 4428477.791 2413166.955 7214679.106 1729462.225 4815139.667 2809573.196 4234201.167 15662305.7 2916271.585 17437484.23 3943960.671 2217682.358 2045249.321 8547736.948 12764291.88 8735281.97 14792265.98 6204204.333 8039385.019 27823906.02 14546481.66 6132199.481 6891511.237 17479373.44 17529192.03 1561992.185 1017660.299 13505056.09 14485274.64 1438227.726 9074235.559 8023016.609 11791284.78 15862400.98 2449220.693 3748962.606 6190921.229 4166088.058 4832769.052 7952905.464 7567003.741 3911314.299 3929035.041 14872545.96 7739771.842 11156376.93 5003239.576 4665242.605 6458595.031 4448244.617 20555171.44 7740427.504 3856144.061 5332105.399 6287324.691 5721499.926 38425508.36 7900546.157 6143029.598 1225596.227 10684166.11 7744590.637 17163583.52 2619983.084 5047024.827 15662868.39 7370856.715 99305.9009 76983.1529 14267344.5 6589142.091 2221738.19 7710201.738 9481647.062 18353556.26 5181259.922 17027552.21 29044890.11 3475626.247 4677162.661 17940965.86 5494698.544 34125742.82 17460476.79 5671003.162 7024371.471 4118428.432 20176956.89 8140714.057 5919808.333 8764527.55 5490814.809 7297539.66 4017062.795 11675761.53 8836802.073 6408991.929 7635131.427 4589557.615 6848457.48 12541288.99 14272827.75 10008063.33 9302067.403 17689766.93 7826504.985 33809431.17 35875171.64 17645312.36 5174661.81 21745008.45 20113408.23 13193986.68 8414036.951 5104315.008 7618636.211 4863749.569 30828890.98 8583714.38 5154274.994 7583388.351 18249905.21 8522758.507 21202447.16 3380182.782 3756529.243 5017714.803 13722647.22 6302691.664 10622634.22 105734.3952 5770078.869 6692274.88 9267021.848 34668939.64 14161396.34 4996526.606 5871788.478 13911323.98 4581716.16 19566847.72 8475847.108 11453140.7 89100.27759 116816.3974 119035.5309 127892.0998 82333.10995 Pseudoaeruginosin NS1 31190.79637 689608.8319 387981.839 686460.632 167794.398 242464.6684 674768.1506 141782.4729 585525.1738 873484.8267 498716.3751 516089.7656 719684.6863 758488.2712 807167.0126 430842.0386 441632.6405 128133.4667 423192.1608 606402.4875 298245.6766 394425.0704 541627.1492 296564.2818 738233.9428 881804.919 739910.7701 654836.9143 323946.137 491632.9922 560044.8773 452933.6646 438128.049 375921.8263 324500.6421 296301.5121 661313.3135 412767.6823 636963.5553 700797.1182 628669.0883 448796.6691 658031.6487 329268.4235 501952.4799 845816.4513 484537.1512 561224.2403 627796.1855 704448.3498 644885.3852 551326.7154 352866.2472 453491.5844 1083502.938 323068.4175 410031.9047 1456398.098 743103.0109 867078.4773 1052830.513 699917.0866 284598.9563 930781.6315 519155.1569 969427.0014 526315.385 702504.6988 660067.2626 500226.5639 689823.8651 709372.1588 887209.5453 917548.6071 680813.6547 792861.777 668980.4947 405822.957 487102.1109 670193.7724 586415.0208 486904.8878 641403.0181 897589.4858 483395.3479 877314.2302 480694.681 755824.3577 632821.1797 756444.1776 1382051.829 817069.1102 308152.7636 922739.7212 806908.5802 33836.31714 26553.43595 814275.0416 817727.6618 407440.4859 1052834.944 831466.9326 885600.2322 550731.0488 309020.5367 553938.8325 498466.8798 426857.1915 475010.8131 717771.6409 427265.0284 607362.6638 564846.1061 572170.2796 1089392.615 859161.6237 922893.6904 456623.0623 499799.8722 614349.5394 641374.9197 387707.5163 298998.9553 276990.0463 1093780.295 639333.0889 467341.9565 1147749.584 576570.1224 479301.5516 646012.0169 320542.2022 1101205.252 967724.2792 1249404.646 1335516.27 1581901.487 928164.3175 564098.9326 547880.4689 868547.6225 641448.3579 413983.7268 685399.2076 481076.6826 500131.0317 728469.3018 749904.3383 739513.9206 1200001.351 1042943.782 755802.9696 940363.6588 1020908.146 272397.7498 690840.6498 931388.588 1378566.402 39439.68319 1233758.814 1061632.407 980341.3458 969976.3517 767243.4799 753793.7128 1022603.029 1327920.003 1121222.072 1096565.532 900974.2751 1201609.066 36505.84386 28749.53881 34830.51688 28398.9368 32304.74439 Pseudopyronine B 96043.89837 435073.2832 2658777.64 2100713.105 327763.6525 337018.8184 609822.2747 1277064.333 929245.679 295919.3276 162106.62 1275799.525 751841.6064 711927.7943 342805.9395 1962089.402 2130254.412 2220028.273 593139.5231 335076.3729 2313359.377 970222.8794 675150.2237 671056.2842 267803.6927 3218157.784 1479408.485 375005.9259 806867.7034 2405639.177 2400232.185 424544.4955 793729.738 893105.6639 3398725.826 1576662.279 714980.9226 526707.1667 2181636.136 2758548.031 951689.5842 782247.198 801388.359 795325.4579 412604.4577 2027052.879 3378228.509 528497.4599 3124668.183 2528291.444 525177.5374 418353.3446 1211035.83 692351.5799 287227.3673 610717.1012 729298.2274 1145740.805 442205.5278 1570529.826 2692353.235 2247649.804 1452918.126 1005855.551 3350640.145 507746.4412 609568.7798 1498394.029 303797.4793 521918.0808 394777.5166 3542344.292 1463581.737 717103.0984 398037.4124 450611.4239 670452.5229 865010.8824 853068.4966 272134.739 765860.6241 1448564.326 2881471.779 816689.1198 1926366.037 76912.53452 558008.4261 2250205.575 380792.3847 466241.719 612259.9204 1241646.924 224167.5019 3616922.914 3008570.82 160448.8138 34407.37873 3198211.548 2813286.588 468598.5983 586468.802 576703.1945 1311105.736 804539.0218 318792.3463 886070.2905 160913.0745 813595.6646 3610983.297 686614.7799 1285192.696 1992368.192 1515161.939 1618313.249 480583.3729 4658637.011 3488470.815 403435.4214 529339.9876 848908.6033 773126.3158 4125561.764 556978.2284 360838.5888 2140914.093 504923.289 1410087.311 1114412.893 569848.2986 102921.4167 1479613.543 1436488.075 3557728.962 3386286.474 156255.6246 1459776.806 521076.8109 1204970.875 793840.0958 679391.5811 973191.296 556104.7754 233712.0913 544881.2636 803794.9063 1091661.272 668754.6136 1429497.414 2649984.919 3477728.594 3239493.933 1920826.233 2405061.075 528820.1839 2280601.368 658873.507 2425761.043 898510.0823 65222.6317 396369.4669 339081.4405 1872706.604 2557339.167 3653533.098 2039456.112 997897.342 735373.8309 1903297.386 4585254.296 2896080.519 1052666.043 69092.37424 317126.8465 399156.6134 87575.16525 327229.4325 Pulcherriminic acid 47940.97825 149696.3867 178119.7545 141779.9973 771590.4829 2558652.014 2050162.895 829861.7509 1538834.546 1626789.837 116903.6334 284580.3907 749711.9396 196376.6905 2696082.979 522912.7482 1230188.718 550900.6837 653230.0109 3288378.861 198829.2644 88640.46108 712068.8957 1868563.617 1331277.936 148260.488 273164.7288 1202515.137 1889609.193 1773573.628 267258.1582 1089507.236 333431.2119 582361.9371 576891.1137 106290.5381 304250.8972 3228518.693 4300870.386 441489.1436 715520.8997 1447245.536 839278.6233 558264.0246 94110.53847 358631.5376 1367987.825 401124.0253 137920.1434 166829.3037 504172.3422 1710886.547 503958.3909 239139.008 2722777.618 493609.5451 688627.1422 2968989.453 123738.1605 85505.86452 862148.2896 1653199.578 1753575.982 2066483.124 164500.3628 511980.1572 201934.6339 3444082.742 152554.6602 777480.0015 2964056.393 130614.1666 105738.2781 134217.2134 7480366.849 159202.4293 472599.4515 686582.2363 372053.7781 1363000.451 478995.5609 295548.7447 138756.2338 120053.5897 152364.092 1470264.446 2317122.784 108599.6824 1435939.348 211797.286 6810819.641 87969.33559 383791.2592 128412.8525 125879.3226 52253.56146 48008.07176 100974.1129 154052.4 205489.6555 184521.2794 1910542.237 78086.95756 192825.3506 338221.1089 611637.2332 492666.3676 91036.8356 1004802.415 606081.5552 102888.3196 218395.2239 201158.5587 1836616.214 223934.6121 163640.442 91177.0505 795170.9667 2576087.412 328148.8681 486811.2525 303052.7016 198715.8844 354598.0982 1059639.203 722719.6965 433803.8934 605179.1691 255569 590870.2086 126025.4973 150921.7785 110581.6576 141272.8227 75160.98557 313953.7828 146014.3783 3522050.846 438124.0646 163102.0098 210889.8097 89471.96386 1901096.504 2438372.173 76392.82954 245534.7299 550572.7156 924462.201 2693689.45 142914.1756 250686.5485 93823.46834 797922.1632 786203.7898 256072.6479 72061.27436 104223.8259 171358.3929 79637.3655 103178.1842 506994.4549 1436775.238 178062.7689 175820.6132 202738.3032 1274350.802 259618.4657 100376.6076 108507.4683 90742.44907 111312.095 64521.26039 56012.7169 50407.63096 95268.26709 49396.89278 Pyridoxamine;2-Methyl-4-aminomethyl-5-hydroxymethyl-3-Pyridinol 28721.21 971962.1451 234962.7173 380433.992 3738125.568 2593389.194 733145.91 2507867.643 441433.434 96141.76186 943665.3073 493392.8175 303318.5092 242127.5339 117021.3829 4557000.265 406665.5964 1972939.722 527867.7984 342617.8729 409132.3545 1065417.178 2640376.723 2911933.24 3388230.436 355648.6978 299058.2492 261728.2247 237210.5589 1020022.737 884287.0387 704759.3648 699280.6442 198777.0397 579177.2612 369149.2391 298662.1837 3223471.912 332208.9604 409396.2251 222391.7442 4271231.94 343108.6365 5928366.34 286769.7332 253114.5735 3339896.139 681234.6921 335535.9422 314031.9059 418532.4035 4926132.525 402221.1106 530066.9742 753654.0872 998716.8051 1325954.197 507527.7211 3299879.933 1523954.045 332476.7911 543776.1756 653354.9374 221607.7997 1537963.647 416274.5062 926694.6363 2129367.958 860327.6673 3778450.942 448437.4654 145678.9402 166230.3354 3275700.435 1485976.148 240065.7535 454335.5853 1571382.048 488679.5899 4268445.556 203742.9016 288625.3063 1118493.844 121218.065 566663.2627 539919.4918 2283946.182 164420.407 365548.8799 635811.7611 243721.5773 238483.2691 1106071.962 355164.4548 231010.6606 28957.41185 23918.67291 243337.9364 338160.7717 3112849.049 312476.9481 268539.621 671800.8406 126928.2991 4134501.665 689294.3051 426575.9804 166054.8745 1117770.668 109412.2033 839460.3432 2761506.146 336859.1797 350506.6616 203489.5055 348652.1905 276924.6785 768280.947 3026790.86 4449025.15 628735.8929 158677.6536 601993.1555 203729.5943 592919.1828 461485.6997 2431737.227 169226.6928 1472823.387 3908503.121 273433.2221 2910602.485 282212.1458 237698.2347 2368314.159 731229.7485 3381912.075 2166902.702 330369.6863 6151681.03 98900.07072 119531.6235 1131539.658 367972.585 1088510.057 495527.0635 1098070.042 4805201.023 388215.0106 311295.8481 201209.501 319123.3879 281483.8036 197230.2663 980536.7451 717193.2075 483381.2284 1548722.893 36316.97664 129234.5371 134932.6139 817311.1611 471767.2288 657419.7021 3099088.462 331858.9947 173491.0321 201959.086 189606.5372 297767.0531 1158892.828 33615.42922 26473.24331 32072.74921 26150.40083 29746.95921 Qinimycin B 368964.2895 4881161.383 3692208.275 4366559.634 1132940.854 329200.2406 2299516.459 7517819.183 2319609.153 15112218.56 3257048.968 4753120.389 6333538.09 16290783.35 428414.0308 19745868.47 7202170.911 33442593.18 4885974.193 523309.813 8148868.798 21318066.36 1309268.933 3854415.398 422162.2101 3545459.289 4654821.785 165734.0075 699720.1489 16261249.85 41128950.75 6944181.813 5116309.417 886153.6327 816666.9469 5445000.18 1559460.305 443732.4223 696458.6744 13573652.26 22187450.04 375906.3012 3427103.519 793951.2007 806660.7768 10896802.65 3539228.002 3495462.785 3642641.097 4166453.62 6888515.496 5870627.706 5734664.673 20501626.77 437975.4871 8816928.099 7782903.42 9519645.827 561408.4184 12558874.1 6862014.705 20008257.18 14230561.47 822078.1771 20442735.53 2380727.538 2354487.656 12443916.07 1432628.969 697548.7724 417702.6586 3397403.48 4335358.463 641136.7568 5228943.062 9873904.951 1572671.244 1102741.841 13756208.26 648343.6862 434533.6374 4443937.748 4705232.407 1460988.583 4219693.462 330519.0338 680095.7371 16095454.92 1412556.273 1863808.766 550906.3972 5849686.687 677312.8849 3794275.828 3552139.451 201410.7084 196909.7553 2795288.646 3984678.193 700449.388 2458516.156 5637285.95 14511656.39 620332.7073 3744478.904 7457474.587 1818708.677 2850489.556 476513.0504 7017476.959 6640875.396 25885186.11 1143346.464 466914.7455 4917380.906 5431052.627 4658410.197 3174161.061 785336.3388 719170.9251 2083603.649 3038985.864 2416616.282 1120037.494 12545692.68 13613011.44 9617742.081 11709772.69 2255076.458 3226695.523 4291444.704 6937087.619 2791363.395 4309438.647 1803100.018 8684827.581 7680654.557 568799.9649 1245903.522 449541.8644 5434491.647 3883523.773 104294.4831 7193518.742 14809072.68 601194.395 5157360.825 2047015.32 3033352.18 3230839.203 4996856.06 4445230.267 4412315.679 728600.4294 1951172.345 1152020.582 4819956.136 4959980.467 250401.7237 2785959.997 2814081.535 8732975.221 9749448.804 1496027.699 11057422.43 1063105.425 463038.2953 2361018.391 2539861.728 3544949.915 5842447.386 327369.0085 326883.1537 204232.2707 689641.6705 322341.8653 Quinicacid 424909.2001 21077079.51 11126393.53 27429347.84 44732941.29 1177669.327 303727.6169 22932544.08 1138148.859 2809216.251 6540723.831 1571083.445 13148121.77 591661.4559 1581428.204 7883488.843 38924194.82 4356881.45 571986.4627 30775139.74 1675755.793 20372109.28 40656562.52 24232403.88 50179627.03 9826535.817 23581378.9 2365414.424 1140688.771 6132077.783 13571938.53 24946685.1 122333191.5 12572287.31 45848666.19 413763.5329 2955790.356 17278333.1 238718.0123 13335160.54 4433539.678 1732264.945 1772987.873 490807.2112 1496982.473 56530515.7 4224347.787 1566173.103 9663095.812 22862795.31 8775885.305 9960807.881 6792031.52 74753516.31 421568.0712 6228662.647 3602766.969 9468465.802 6011455.444 1870425.981 32544321.48 233163.864 34018678.85 2796683.699 62865621.99 1909013.69 180501.6528 20260508.15 4327273.848 1832256.642 5064556.464 11475763.08 28147659.87 175181.6249 2481586.723 65683494.8 1383897.325 52685452.06 2906898.283 35660465.91 64810187.28 858711.4941 3151083.115 3013029.177 2637429.932 11188670.2 2612499.553 36980431.94 17781962.6 211012.0198 493725.4879 2637612.632 174701.5992 9636798.721 27260950.33 859367.8545 134798.7667 8266549.816 18954544.65 29481431 2603380.789 486662.0625 2295084.984 1713242.791 1455901.712 299607.4476 30163642.88 102169866 10176183.2 47184412.94 21106781.51 38672327.37 3837483.713 903226.7548 55506160.99 11299707.2 19680302 116863394.1 91453806.92 2431958.806 5023623.943 6353659.281 1033423.599 15167268.67 36108153.14 3027566.434 1811925.028 9830388.959 48285619.02 2728025.626 20349382.14 7654370.684 9173000.598 21978901.21 1159726.113 4676981.283 2700903.116 4475112.73 11944577.2 1953759.726 1930286.485 880798.8621 52086124.93 103586011 2880360.279 6545279.339 269062.1013 1756303.798 19289182.44 9180905.556 25081551.03 2036986.62 12196633.96 7703622.675 39486780.68 5953175.344 1432186.465 781873.9939 898165.8026 3947216.604 5470477.234 20594596.17 2927421.685 4107272.578 13570277.73 11993617.49 204795.2713 9261312.126 10575305.21 24135971.61 23541344.12 177021.4148 150274.4283 153982.6106 153546.432 153589.7855 quinol sulfate 97548.60569 109092092.7 94450732.52 127980829.4 123967323.1 38099155.12 26655623.9 36699816.27 53890962.16 70897021.85 65549876.04 21860586.79 105799132.7 10847791.3 71983900.46 75392413.01 93737179.5 36470470.12 35618429.9 58064764.26 123341045.5 57588940.72 72155041.02 22656885.9 82096130.37 78344133.6 114945771.9 8293500.987 9566270.337 74819950.72 84576811.68 65486384.62 138601181.9 119104762.8 79315440.54 46094575.83 35661219.66 424606965.5 73133696.24 115530321.1 12229540.65 39153133.11 29878753.98 25168814.14 54852276.69 454744797.7 111179617.4 108680154.5 72962362.13 103473961.7 64524874.34 53639607.78 3459880.705 99168530.23 12605739.22 30806478.14 32851971.27 25655902.64 145052851.3 41917147.97 55226426.25 10266948.71 61981439.46 26815534.32 184413817.2 36302556.87 11687996.3 114716518.2 16361454.73 168089206.8 48293188.53 69084545.52 108727099.8 7330157.73 93209031.42 122917510.8 6796383.869 147149410 15334020 149427098.6 133322430.5 64750430.56 145834906 3948789.764 24776087.69 22917840.57 172972783.8 111105248.3 98779364.08 49746738.75 53691716.12 41871702.99 6548408.362 66741243.06 95961750.55 113575.3463 146157.6049 64964872.75 97437744.78 61239421.21 50558774.66 13775070.04 54201508.22 48317932.37 77975029.16 8207577.16 51695340.34 82914953.8 59036270.57 93228094.67 45732504.79 150985483.2 17315148 26200508.66 28037241.47 74768092.25 102739705 134210488.6 168992496.6 23826566.18 67937158.65 35092785.27 57216093.91 19296396.76 76875468.98 66561162.74 47040827.97 30485193.15 104082197 159304310.6 143125264.4 28211564.49 68931609.4 99874340.42 110091925.9 94309281.49 50736380.12 29544269.12 114750338.2 68594684.48 40996112.86 39070627.93 79082149.75 122964882.5 37092898.61 70799279.43 150178177.5 29845893.14 60198881.07 67375044.33 103356623.9 227687792.3 39163221.24 3758609.832 110130192.1 37199268.24 35136224.22 100556120 127476.8975 21044932.83 128193943.5 146006416 32086189.45 79485848.76 45269184 46114442.32 20512715.29 28025752.45 67417155.66 102473804.2 84364981.29 116850.273 110164.0883 1688639.115 143055.1859 97155.30407 R)-2,3-Dihydroxy-isovalerate 1396720.855 7290489.94 5318085.493 8018011.101 1249822.302 1486393.267 188180.3103 5634760.081 1492469.372 1724594.385 3004403.501 1967209.704 2122748.389 1953160.82 1875558.684 1766486.284 5024675.101 12185632.08 1293971.779 4497890.977 1786442.155 3317000.761 3760983.879 2574550.847 3427325.431 5632065.503 7914734.398 1796783.531 115355.3823 3780025.54 2958472.459 2311337.855 12704366.75 3155253.594 6155744.191 1994438.665 2553020.381 1472704.945 1909123.883 2511573.757 2864972.089 1929539.167 1630411.208 2044162.585 2390568.018 3493527.767 1500645.449 2665436.549 5847485.922 8190459.258 2252918.345 4733700.958 1634092.876 3226114.169 1415553.519 1792132.651 1474538.545 4058522.471 2138851.362 2488703.049 3037716.415 2570983.116 5096371.804 1597672.364 8004513.676 2532301.444 2182435.655 6083951.429 1563425.296 760192.0728 3142251.762 6303568.099 9638467.986 1406272.739 830765.616 28940813.56 1416833.456 13410364.71 1804663.727 1123899.126 36211894.45 2437525.042 1817417.853 2612430.089 4614858.556 2117558.974 962912.0462 11088121.36 1695450.904 2942789.317 1079201.848 3660284.831 1779504.881 6836931.636 9304337.662 786622.1514 843253.2585 5732784.604 8731959.505 1542151.077 1042011.124 779341.4186 1375185.361 649277.7156 1725628.555 2164416.467 1180075.456 5385268.352 2219983.1 8981375.895 2228490.566 4042435.039 2210568.845 1758967.317 3694257.268 7062838.704 9285438.866 32463906.11 33130450.58 499620.5237 1089395.361 2787019.276 1034354.564 1009818.796 1540961.798 6125663.162 1066490.262 806975.9263 1274550.118 1260028.572 9543541.755 1719384.512 7013843.719 9997281.745 1255097.273 6405499.85 2196077.895 1841098.602 3319299.559 2231613.48 633632.2294 2956630.259 5893348.472 18476451.44 2065384.638 5485561.271 3548275.006 1385539.667 924725.9982 6898760.421 10862601.44 1369613.664 1888640.609 2965747.656 1610128.38 2100707.956 2055585.849 2227900.933 835685.6755 2158438.176 2016639.759 1675686.376 580986.2701 3184423.69 2705268.639 2515717.614 2218011.904 1436754.986 8277916.405 11997445.52 12115431.26 914503.4814 1298084.495 849849.8954 804828.8866 1500038.102 Rimboxa 50146.09105 1143752.948 654023.9809 1231557.963 205691.8011 249799.0779 106087.594 4947236.819 700305.5747 273733.5586 2247726.116 98659.4422 425062.9847 816193.896 225127.4804 260394.7005 1187743.679 9537242.379 550296.0567 407265.5601 785230.9134 411501.6267 1477979.417 237614.5915 2069785.393 618818.6276 1256442.991 735842.5875 313296.8215 5084809.539 1406050.51 2069275.545 1063722.088 135587.462 579607.8195 654350.2847 238744.8585 154211.1812 115264.5841 461826.4784 876601.3868 154902.051 507890.7298 363632.4325 208594.0806 1473740.873 543385.8816 259601.7673 625226.0576 1179124.568 473753.0298 263833.4071 142597.4598 1034423.056 133660.6751 1788993.521 1970320.532 767762.2453 104739.0969 629502.4531 812784.8567 103245.0425 1148797.776 117801.2663 927321.5946 95092.85428 360424.4956 13515299.75 84494.67859 116685.3062 230762.7389 605527.9307 1058273.656 302044.3188 118597.7402 454401.5475 305224.4592 602957.9479 753605.0464 159364.5868 267302.7279 419047.4237 486934.0778 103911.2479 200135.7473 102257.2703 444540.3189 620615.2755 1023773.155 627211.983 203059.8046 1269256.547 289619.542 625164.246 1014085.776 54657.03759 50216.27062 592690.0575 985890.0847 912208.8059 285837.934 937416.4866 999444.1513 448878.616 927293.1049 853409.5777 1193435.766 331324.7249 132270.6327 499001.5338 440756.5915 1793024.792 99348.02002 193807.3301 748085.614 681754.131 586781.4075 220528.3905 562186.7429 120301.6347 648650.9381 198698.18 1432746.98 361486.7767 439217.8401 1847758.633 936276.9005 204474.1813 1288066.141 1368719.173 260253.9898 299823.6123 628892.4013 976386.4493 391755.3098 437552.636 1158321.517 143877.951 374709.7635 693049.085 152061.488 1462753.475 1754429.003 211504.1871 937975.029 315337.6246 1540713.094 122818.2014 1106775.89 603422.1295 979945.3498 914714.7879 1262099.581 269501.2436 414110.3963 751229.9526 110393.3291 1321341.028 83300.39826 268208.9562 122075.0344 1043565.943 346312.0616 224222.2785 703019.8222 280672.7126 651106.7694 323048.1474 603654.8484 987541.2542 942415.8734 109077.6558 58589.10068 52726.20092 99650.26517 51543.53208 Rishitin 162873.391 2159655.682 3956731.875 1232093.898 1932317.011 4727351.242 3084353.451 6681258.389 2642662.707 3236778.065 1706397.299 5610007.166 5045936.017 1336510.725 3516851.947 3193066.595 3087177.554 2655215.964 1839173.519 4033925.075 5616042.002 4190558.733 3327899.602 7330371.306 4135496.716 2900763.388 4143271.648 4793938.079 4845650.319 3495316.554 2453684.363 2916557.368 2951342.756 4371593.471 3608712.735 6544460.216 2760797.959 3462880.996 5232739.474 7498657.555 3422012.498 2598228.029 6079169.006 4561337.235 1250860.776 2885443.283 3796453.928 3121786.409 3045362.917 4307896.77 3348507.978 2050128.265 4316713.639 2479649.77 1892514.407 4502376.833 1932986.224 4328676.165 3227012.8 5685929.346 4975528.465 9207054.421 3658784.521 9685711.271 4825323.514 1604606.995 2991415.057 3104570.156 3711474.543 1754986.523 2170920.923 2689853.882 4011162.218 4562061.747 2178007.287 1154365.513 4478218.119 2344185.48 6268427.228 3960922.167 4521557.058 5625741.114 4224938.613 1467507.709 2276129.316 5984953.411 3292718.376 6158240.828 5514494.17 1835354.523 5168572.832 4739437.032 2630297.47 2482286.992 4149706.299 166229.3732 154863.2501 3446782.579 4433368.88 3175988.615 9522118.288 5882019.88 7231263.038 2240624.004 3761955.557 4439719.363 2883080.562 2713056.545 7578708.349 7365027.144 5468839.996 5805546.701 3629612.595 5019515.543 5282635.352 4168075.872 3149167.903 3438189.373 6675521.28 5215367.901 4152525.639 4790175.966 15847597.72 5465505.334 2625651.396 5278979.217 5643897.915 20272870.44 4806575.455 5615718.778 7854992.069 5865230.831 4933884.085 4484769.257 3834003.753 2866181.824 2730017.668 3065366.854 8550639.273 10016402.58 14604532.9 3607370.973 6234803.694 3603011.036 1900479.513 2197720.757 3452043.981 4565182.415 4266625.996 5345830.053 2051832.427 4621273.313 5325689.638 3639396.507 3165253.785 4592768.859 6253497.222 7932187.93 73187.40465 9369281.828 5956217.133 5674530.885 5328726.683 7937778.697 1089966.262 6862748.93 8081529.911 4239345.797 6071036.553 2534589.707 3548440.701 298288.7872 164124.5086 353984.3213 233610.8967 304477.4794 S-Methyl-L-Cysteine-S-oxide 60242.30715 2147260.75 1621073.344 1792496.635 2900734.502 421997.3635 2032514.577 1957391.989 2713633.746 3606287.848 2759407.145 794910.5315 621480.5972 5384690.854 2594625.401 1530252.864 5622847.812 13892350.33 4408885.317 7959358.492 5115215.407 1625147.309 5478098.584 1068679.391 4064208.544 1374439.669 1695220.906 2838925.226 1632855.332 3572344.396 1054363.126 3322700.235 5254958.219 1412215.962 5538310.663 2824443.747 2134616.09 1010220.372 1312588.211 2917849.999 2866850.299 1905879.426 2649208.905 1647332.527 1441246.873 2085398.909 3233046.186 2081060.125 1429932.222 1642410.114 5421773.083 7223706.064 665497.5347 4523234.715 2830979.225 2340670.104 6017792.821 1441847.877 5755447.156 2177530.621 2539536.784 5887078.103 4776836.403 1413381.808 2149828.434 2327778.843 4205065.457 12618145.13 1615429.238 1164654.793 5280557.082 1657752.407 2091449.07 897351.1735 2341627.805 2745144.088 1505248.652 4188290.071 958917.9285 2228817.594 7893258.753 3185300.141 1503067.487 1211771.536 1220523.558 2916655.913 3890999.716 1605735.599 2839382.112 6691900.839 6903402.255 3699922.298 3397063.74 1714490.342 1952890.304 61460.35288 63773.62288 1454026.479 1781056.685 1602169.315 6440353.9 2489816.686 1243168.828 4862064.917 5276395.292 4964782.663 4874187.194 2532082.266 4047062.47 958890.5511 2462984.348 2280124.775 1883566.837 2320328.989 3588358.443 1778813.492 1944680.371 2766033.103 6167262.122 1284958.854 1687035.392 1756710.65 1206611.823 2124040.956 1536718.134 8473316.404 1095941.185 1784127.936 3411655.291 11830306.71 1438010.354 1966477.439 1717053.414 2228835.666 5309111.69 3353773.031 2878724.448 4095470.781 3472307.506 4970025.913 4053895.097 4001786.731 5401003.166 2089592.326 2917269.745 3539262.942 3021570.238 2367068.877 18417719.57 1907566.621 2362107.188 8091045.401 868476.3357 3650734.076 4062595.813 3016860.271 1276273.347 4311696.134 87577.2285 4371636.628 3155242.343 8668731.323 3296661.233 2064637.645 1799012.66 2425833.902 1438921.465 962850.7122 1885768.689 2369866.897 4059567.099 86476.5935 62181.16048 77695.31411 62781.8608 63286.22637 S-Methylthioglycolate 44029.79668 1143752.948 654023.9809 1231557.963 205691.8011 249799.0779 89004.58334 4947236.819 700305.5747 273733.5586 2247726.116 86625.99796 425062.9847 816193.896 225127.4804 260394.7005 1187743.679 9537242.379 550296.0567 407265.5601 785230.9134 411501.6267 1477979.417 237614.5915 2069785.393 618818.6276 1256442.991 735842.5875 313296.8215 5084809.539 1406050.51 2069275.545 1063722.088 135587.462 579607.8195 654350.2847 238744.8585 154211.1812 101205.8188 461826.4784 876601.3868 154902.051 507890.7298 363632.4325 208594.0806 1473740.873 543385.8816 259601.7673 625226.0576 1179124.568 473753.0298 263833.4071 125204.9169 1034423.056 133660.6751 1788993.521 1970320.532 767762.2453 104739.0969 629502.4531 908680.4613 90652.29483 1148797.776 117801.2663 927321.5946 89579.36658 360424.4956 13515299.75 78951.5188 116685.3062 230762.7389 605527.9307 1058273.656 365087.8301 118597.7402 454401.5475 305224.4592 602957.9479 753605.0464 159364.5868 267302.7279 419047.4237 486934.0778 91237.24344 200135.7473 89785.00068 444540.3189 620615.2755 1023773.155 627211.983 178292.6988 1269256.547 289619.542 625164.246 1014085.776 48819.4184 48971.40841 592690.0575 985890.0847 912208.8059 285837.934 937416.4866 999444.1513 448878.616 927293.1049 853409.5777 1193435.766 331324.7249 132270.6327 499001.5338 440756.5915 1793024.792 88625.51395 193807.3301 748085.614 681754.131 586781.4075 220528.3905 562186.7429 120301.6347 648650.9381 198698.18 1432746.98 361486.7767 439217.8401 1847758.633 936276.9005 204474.1813 1288066.141 1368719.173 260253.9898 299823.6123 628892.4013 976386.4493 391755.3098 437552.636 1158321.517 143877.951 374709.7635 693049.085 152061.488 1462753.475 1754429.003 211504.1871 937975.029 315337.6246 1540713.094 107838.125 1106775.89 603422.1295 979945.3498 914714.7879 1262099.581 269501.2436 414110.3963 751229.9526 110393.3291 1321341.028 73140.28915 268208.9562 107185.6017 1043565.943 346312.0616 224222.2785 703019.8222 280672.7126 651106.7694 323048.1474 603654.8484 987541.2542 942415.8734 95773.50715 58582.71422 40853.65893 78002.01669 55697.47565 sn-glycero-3-Phosphoethanolamine 26622.18052 161583.2512 5174389.435 4270765.59 148452.2236 153937.9124 242239.9575 125433.7992 53258.81991 257044.4509 123347.243 183695.4175 262066.1337 49757.28087 141572.1351 234322.3501 280343.4594 58242.99393 64324.45028 247353.7812 212462.6281 97242.31982 103706.7333 139667.3209 56462.23513 7297459.278 6131356.328 135001.5417 79604.4453 87612.93574 242326.0904 116271.1502 138750.2976 144486.257 167752.9233 246699.473 130174.6198 47233.66825 51918.81774 164679.061 74662.73091 110891.5856 171070.5633 113000.5605 68051.4388 187706.4507 75797.33727 77240.55331 4622242.533 2345341.164 134325.9607 107903.2757 125028.4363 110952.7544 75802.25614 204593.2314 116328.9681 372607.7278 67313.35565 93388.2345 205093.6244 47753.70272 50185.52412 141089.2632 89523.34335 57348.38314 278007.6606 161781.9314 122586.0904 46164.03139 47246.93936 666691.5868 833418.8001 151453.8987 90985.22956 48470.86149 67941.91587 57621.07632 245044.392 145124.2131 46961.66983 52176.27751 97651.49878 639481.6337 328831.7859 46138.49795 83675.11136 116589.1005 104697.4225 282727.9495 303431.3302 50029.077 357564.8645 831900.8438 724281.9231 20569.41415 20586.01561 652184.7238 507728.1907 302555.2903 491059.6792 309198.5889 50750.94594 167636.8508 296973.0731 53223.711 225725.9573 50410.63898 278169.3749 53922.70456 246996.7079 210958.1304 47126.02192 106406.492 59267.50197 815211.3797 500298.7923 74324.51149 147956.933 197109.5907 310897.3652 239168.7265 49716.18515 78416.48772 248557.3239 181124.0637 501272.3294 195758.7909 145727.3324 152733.4932 92018.61072 47287.11395 544949.5796 498583.3571 100661.1569 56167.38439 178594.8738 199785.7952 190554.317 298223.4162 47784.06312 62615.06925 52827.96082 56958.69366 164811.9611 92355.25663 55255.56394 103462.543 77312.71362 591952.0781 599647.3059 204098.4103 101187.3581 55864.65269 78382.00461 234251.8942 112161.0225 68997.88024 33862.26549 48455.39769 539878.7012 104268.3112 59197.92919 82917.12354 48335.53857 50118.10684 48740.01131 51684.37553 588305.2963 526497.1225 49025.66351 31076.67821 25511.99064 23851.71335 19926.1099 22701.07413 Succinic acid 7825061.211 22874964.57 58972020.99 55109789.14 21310995.81 22745020.7 20952190.53 44103151.79 16366894.78 26457955.36 33169401.62 22019117.03 22331482.2 23191014.92 34055256.99 22683917.89 29165134.79 31909548.73 19623836.5 30213567.62 31762438.5 27183903.06 23323247.6 26470267.19 32671393.82 50688537.96 48811049.66 23003590.13 26288350.25 26642396.75 25374624.53 25176980.49 25515026.91 23258297.3 19887340.38 20075951.13 21200608.91 21143079.21 23805974.34 20689606.29 24239805.78 24273875.84 24677159.17 23644070.43 18407585.88 26691827.47 21404789.76 27567808.74 45756222.04 45720257.39 22412554.72 24972650.07 15932523.87 25069771.39 27364736.61 36256996.78 29757334.12 21335141.44 19276142.82 22601863.55 28122147.8 17485458.07 20271201.63 25729878.11 24747160.01 26066888.74 18023717.55 30024378.44 19956036.21 19825224.45 24313320.61 54950667.9 56655502.21 16172128.3 21318317.4 25728520.03 30609420.58 21041905.13 17202822.36 27767315.47 20967048.54 37107375.98 19571094.2 27107320.06 21591792.09 19797723.65 25442638.33 24400569.44 25531983.16 26989554.69 23858815.76 20032586.68 22532980.02 55416981.77 47509532.28 6299618.105 5710205.443 45997031.69 45768796.69 23219321.5 17146078.75 20848477.95 25766250.63 19499225.09 16036239.59 20748126.16 27487918.39 20188707.7 18345546.06 20355889.75 20216817.02 24672043.84 20975397.1 24948614.02 26334178.49 51564006.47 42762739.7 20761626.69 25424389.35 27121898.79 20108897.78 17469862.31 29762947.59 21333394.18 19449071.97 22448147.2 18860253.19 25064120.64 20702101.3 21834601.68 20065802.84 18078174.15 52701449.89 47918906.67 23011836.37 24933210.06 26091423.85 29674550.88 24214978.24 25433775.53 21213300.1 22876441.17 28234279.17 21950709.13 23568143.66 18891109.09 21793626.48 18837531.3 22093773.36 51912027.3 51174728.67 35146672.73 17406816.31 22993693.7 27081305.19 22305908.38 20897657.75 20907275.9 16881152.03 18931777.1 41853475.55 27058546.38 22472991.56 21389004.61 18261651.33 21169427.66 19716799.02 16687267.9 52028917.75 49654692.39 25354337.32 7234996.393 5159053.14 5321725.011 5217651.652 5319248.905 Sulfosalicylic Acid 49477.03607 4334953.748 2530478.794 6143240.644 3140287.082 7297890.503 6441912.477 11681632.16 1345716.178 5763566.073 13258436.29 736678.5275 1426058.531 14382165.14 5682216.901 5976806.029 33891754.4 15706741.34 7850401.327 6908604.91 2010472.904 1452537.893 7358931.67 3818111.241 6730357.22 2136616.777 4156927.546 232202.3098 12148637.33 9278414.163 4854619.242 10763429.47 10142566.26 869649.6703 3414466.341 583620.9174 1008626.193 7382071.149 1924612.28 1088963.519 2626337.5 13154685.35 2556150.422 13518518.33 5192666.655 1951753.75 439072.1021 3336910.59 1675208.976 3282082.417 1466983.275 2386543.754 650363.5735 6277296.347 1998753.933 5139539.685 2341061.548 5610319.999 1513512.283 455025.4309 1103302.582 670966.9267 2920113.513 361394.0899 1516722.529 1650078.095 163822.6427 2497759.063 786544.8149 884070.8232 10782260.84 1479312.914 2884142.671 1426543.049 4972306.251 1122162.969 115913.3298 3232954.573 428745.952 232777.7767 2707346.408 1515434.873 918250.9014 1582988.352 522798.0502 743670.0618 2125206.792 778276.1731 405800.6917 513882.706 1007181.662 4085504.953 274549.3981 1275463.398 2071536.653 54859.21596 55030.00975 1163196.124 2388673.848 3527218.19 93744.6382 114112.6478 3367560.937 1739904.326 3185615.917 3506676.724 3880931.378 4602203.15 680945.6783 6309652.484 1645639.461 2117818.598 2274184.711 8086061.188 1457284.76 1305652.678 2103088.357 1735215.721 1570312.461 3086470.039 2019388.479 266110.5554 4823897.784 2706573.026 2749468.951 3964752.777 1109516.984 1259898.92 1661831.63 3431706.292 4397012.463 400471.8619 1059116.456 1978750.395 322370.3895 260630.4349 2405981.835 1448330.684 817441.3282 2299820.73 234201.3093 1058604.855 3946508.971 3073406.662 2468050.423 2429717.913 2844802.189 121179.5467 1328775.974 948926.9415 1973679.402 707392.2958 1031971.514 2080009.323 6780897.392 1795006.216 1644842.435 1769550.71 82188.99466 138555.2803 5563378.893 3038986.444 1219830.72 322753.6428 559812.4345 1772069.326 538010.3319 2967249.89 535499.7567 1368782.287 1196240.536 107622.3291 65830.39857 46865.06627 61823.49942 69467.2174 Talarolutin C 62175.58474 75553.37289 98071.29002 123796.5125 1127834.277 79211.27637 1899979.009 3490510.978 2512281.337 3652839.598 93746.92895 87606.25893 2411467.198 526753.777 276872.6247 581279.8172 1512406.418 325105.6053 66225.47919 72611.82528 60607.34738 8814578.006 58206.70595 626987.731 72779.53898 110675.8853 131347.9551 373518.0977 59365.66742 1146647.759 87516.84627 289773.3316 65494.00907 3734955.809 141117.0247 69766.97377 1309747.386 792925.5993 100618.757 3198051.431 503766.94 60916.84384 790927.5498 150720.3496 25947298.07 142520.3865 2651294.872 140086.2616 112994.336 131112.4992 1363538.262 114215.8954 2231604.12 23708133.59 80640.90478 91741.84519 120123.6528 104687.564 71424.52519 128328.0903 3070744.394 6723576.191 9195163.066 1473411.288 63372.22786 67598.20922 73820.98384 2348835.364 73975.7084 100659.3789 1313305.21 118716.58 145381.1873 77184.60714 141591.056 82622.86048 72541.51905 109270.6303 83212.88595 83247.94939 586179.1565 88365.25165 76205.12131 10359588.42 79862.73179 81326.14034 116305.9452 918585.6076 79823.2665 2682753.419 741256.387 12765823.57 70371.43038 118731.5859 139049.8533 69631.00493 44766.61324 108524.5541 134293.28 126483.9963 9116087.965 943783.2714 77360.51422 71963.70294 78356.71618 88130.06092 114997.3547 99765.41881 299449.9061 1803200.669 91987.95848 1796579.315 71223.8829 315677.4732 91402.18476 140794.8114 148799.861 1654761.16 146450.3627 1579075.85 121923.5187 2120208.803 570324.5976 282897.4268 93955.62909 5309699.191 2396358.026 1484032.516 126023.8748 123354.7472 775987.352 101091.4823 133004.7665 153994.2827 199768.174 438178.0959 2388302.529 484615.0588 15800417.08 116314.1211 2018366.571 296301.6514 595232.2564 125857.0496 199601.004 83567.02191 151372.4473 556962.304 412270.268 139663.0054 174660.742 129284.0459 159532.9539 124454.9815 144384.0468 828822.7829 103782.58 2784220.336 63894.09297 9692848.022 131012.6153 3664663.297 203336.9637 7450051.021 3602280.211 18398017.57 521557.6043 7541959.496 144531.8514 163647.5032 113609.3214 108128.5847 59657.27559 59699.85569 69260.19582 55201.93813 Taurine 304061.8368 252831783.4 388227787.2 379298885.2 376662017.7 241172282.9 311104577.3 517709688.7 434793145.7 340619335.7 437122956.9 253210849.1 309800416.8 286815035.8 421411412.2 440084449.1 306968055.3 399559979.8 355665369.3 371977648.8 386688739.1 436925513.3 465110481.9 273030150.4 359856788.4 377344881.8 359039727.9 458748130.1 391906498.7 362296358.4 388310519.7 375424153.8 524902249.8 623831924.1 421410878.1 378541808.7 393781809.2 312828470.9 287535814 424085992.1 471792525.4 369226276.5 462505577.8 368494167.1 390095096.6 294659830.5 402711574 358389330.5 362864411.3 375444179.7 315722228.7 296904676.8 229543280.1 561548576.5 268247728.4 641493784.2 481410649.7 304711883.4 376161064.8 352949231.4 346094960.6 381557830 448633709.3 239145001.6 414139673 423095204.2 322527910.5 350782961.4 407724426.7 482235782.5 432505862.1 400218109.1 425366721.9 287150994.8 434727616.5 411476172.3 411606097.1 496551255.7 334721704.9 506620350.3 417916026.1 406964229.1 240112326.5 1085417491 358459765 374281872.6 427527903.4 351707101.1 432336602.7 355238203.6 602231619 400597036.4 403931840.9 429157129.9 398807761.4 302870.1454 301431.8458 384158433.1 391861490.2 438086584.8 610783902.7 297487599.8 400655977.2 447190123.2 349756766.8 602975735.2 487391287.3 256211367.3 435663069.1 466734241.1 411251230.1 357012794.4 547939929.8 544336408 590173755.3 438814347.3 396200664.6 448806098.8 357562829.8 493290499.8 323506768.1 587230569 380996711.9 431643913.6 411944041.3 425573409.9 339628026.2 460440098.1 585896745 425232361 363891698.4 415167218.4 458567594.4 416228564.4 431889295.6 414835401.3 337054944.6 482886649.9 534057397.1 412753026.2 482903078.4 351927389.8 546731699.1 416988975 486153715.4 436458757 335574560 376127254.8 428422921.7 459785714 450520073.9 465930474.1 284687008.3 410566207.6 557538618.8 377309369.9 582041956.5 425958188.8 90290.53688 338858607.2 1636614927 609648675.4 345341645.6 458133404.2 367567539.9 512924143.8 451429612.9 354364784.2 482959402.9 465955109.3 343903440.6 330136.1927 322912.5505 850755.4402 322091.8463 317505.8673 Tensyuic acid E 19781.47884 16424321.7 16952467.61 18151105.46 15723676.48 9720982.126 17111295.18 16682770.56 6061877.553 22464137.89 25442247.98 18462235.38 11811953.78 16063163.83 25225681.52 22649628.91 17411824.43 32745122.48 7726234.678 18500506.51 33034244.82 11771839.81 20002781.53 18209164.22 22228652.33 16632161.9 18315241.52 13184252.62 9120030.489 18217029.59 23569990.84 21722166.4 9070560.994 11046359.15 13120522.88 18569837.1 11578724.21 11711349.77 12617509.83 17022460.87 20021189.19 19975467.79 13536088.94 17382403.04 15273587.61 26844044.2 13202086.76 15187694.2 16629726.2 19473115.47 28677467.9 8513206.296 8593526.838 19698728.11 5965281.867 31476560.27 22856639.37 27258249.15 24816477.09 20179079.29 22729238.73 17233680.12 23489279.63 14601711.87 12750811.95 9328733.311 17010441.68 31712961.23 21638287.08 14016566.39 21847436.48 17649540.27 18578963.95 21935923.92 14667821.25 8446000.081 15225330.45 18983736.33 16078841.14 14966624.69 9845242.001 12125945.89 24471308.49 12754505.45 11410521.19 14004249.98 7807738.012 10435929.58 22469726.85 16618185.76 18371574.06 22961219.24 6744374.299 16886299.67 16975806.41 101007.8025 43277.6844 16328721.8 17352977.53 29239529.96 21112960.51 28771758.51 44647312.58 7072461.308 27930765.04 22113680.58 21733578.91 19626022.36 18142371.94 25307865.35 12406804.73 20736781.21 8795509.879 9718659.74 9096438.717 19594115.54 17499974.61 8817317.964 17413624.53 7977326.768 29596605.84 12192880.49 17496179.73 13223499.05 17389090.85 19361392.48 12817052.53 15461143.98 18610124.81 25168677.52 39517337.31 18682406.99 15884199.33 16185578.74 13951797.01 12825195.94 19341874.35 9621100.234 20118996.78 26736479.4 10889742.49 18923666.63 16846111.22 16017692.73 15236892.03 9251625.059 10849338.87 10823992.65 16126894.5 15949604.01 18239385.17 17751870.94 13449809.04 21609750.64 11291818.85 23433712.85 13473911.4 19220615.09 53553.298 19311802.44 20056199.98 20590967.58 33120469.94 26242653.91 14200522.86 14208493.34 14911960.82 9042436.491 16091590.59 17518617.68 20263552.65 76667.36491 368800.7564 426731.62 156653.82 298905.8959 Testosterone sulfate 84022.26036 346471485.6 509657599.4 214822727.1 242096848.6 131653533.5 154142593.6 39348697.56 226737974.3 88535324.38 187684510.4 262639161.4 528875367.7 118816193.1 529757738.7 540622952.1 93708436.2 25008962.1 149947880.2 191509288.7 236485367.2 165882441 192023116.8 539321173 226966921 548494174.6 242723974.8 340706565.7 226337201.1 191248220.3 173927567.6 125865005.4 96309266.14 120331383.6 296253617.9 610994869.6 168435744.1 589599161.5 324705006.3 180880822.4 150974628.2 261863220.9 771034522.7 404513107.3 539190449.6 441000703.5 435777669.5 492106392.3 574249043.3 218890307.6 628168755 614913836.6 1325268749 75248178.14 225880793.5 472025918.7 527630810.6 62892935.81 351106449 103063767.6 753381139 669016547 128544670.3 282346606.9 184722529.4 166616944.1 276071284.3 252460465.8 188156685.9 124315679.2 103901721.3 598381943.5 278165789 507011462.3 397136168.5 133195226.4 250873853.2 397511244.8 1049644311 185634630.2 121490604.6 273427179.5 339387247.9 122746178.8 251594703.8 230464778.5 294627767.7 137601260.4 632683234.2 237884752.4 612324210.3 156440025.1 163025566.5 617358247.1 252319528.8 102006.3235 91781.2885 555643933.7 239264772.5 121331173.8 543174043.2 1224304502 362380319 484263483.5 395952896.9 540838024.5 164630836.7 141774881.8 668656549.6 186255274.2 728908150 720906831.7 194011610.9 477152088.7 205948945.5 799527499.7 283618031.1 297054626.1 447154292.6 474920083.9 467396693 452593928.7 26737582.14 455376369.4 254183064.4 280864687.4 265056084.1 497257271.3 518427389.1 407284434.4 261567030.1 677527900.1 683857572.6 277903992.2 1060332691 978449883.8 972295902.5 85297582.23 862487995 556165490.2 554567587.1 379520543.9 322113547.1 271933906.4 247611527.9 679743024.3 597150659.7 600259936.4 640700559.9 711308740.3 295961709.6 773393896.1 388437741.4 192387121.9 200683116.3 316163126 337983307 703322101.8 102522.1502 257972883.8 220755018.7 786192201.1 549485718.7 889837287.6 156543182.6 567941492.6 671805365.9 401714418.6 731531634.2 312472935.3 474706504.3 89956.4648 128869.2716 203753.568 108090.2522 90828.06986 THIODIPROPIONIC ACID 198357.1653 3884910.497 7985878.207 14982704.99 8637393.203 9733384.363 7997233.218 23955190.61 3843281.173 8078575.392 14816476.52 6014476.645 6256427.27 17179910.2 10090581.87 10684433.9 20606422.91 30115989.59 6031517.354 7651549.026 7883609.107 4803182.131 9476416.4 13906787.88 8898737.508 7237863.579 8871082.097 5076738.215 6435722.267 13087351.24 17308157.47 12215411.69 8824730.403 10111072.13 11356908.82 5668892.365 5317975.415 11240598.06 7772247.147 6642611.784 7556095.041 6835092.44 5941959.028 11884754.26 6613259.127 15160590.94 6025867.4 7768987.574 7113782.037 7479058.885 5125521.953 5187829.585 4459659.076 10093756.49 6754874.657 22282275.53 22388939.95 17257545.23 5762457.389 13129478.04 11846303.48 7160412.008 11730065.91 3435441.99 5632315.79 5517939.944 5032878.724 11719743.74 5091079.544 8380003.832 8582150.36 5990500.529 8245713.806 5875549.108 6480154.119 4358301.082 10444979.89 8870555.207 6031946.198 6771417.232 3299619.448 5784390.528 7417430.456 4670754.049 7741907.516 3763337.518 4096042.954 5637128.581 3242561.775 6167571.653 2769010.748 6417701.966 4591752.996 5508827.256 6118898.051 184478.4927 159781.4991 5179569.805 6563596.821 7552764.104 3023264.433 6100380.491 9623295.171 4185161.408 5134032.821 5595095.594 7298557.757 5769868.012 4652554.384 6414571.1 6606471.63 5003578.143 4271224.428 3911137.438 5746306.693 7820182.472 7406973.626 4856497.944 3411731.583 5453201.379 6563821.838 3972217.362 5813674.455 3445979.726 7073817.932 6627390.698 6345832.627 3551152.552 5477499.966 6059205.161 4543211.229 4028319.339 5738474.523 6298234.022 4443270.194 6668413.881 5792920.139 4637239.039 4267710.948 3727725.823 2203694.032 4735711.616 6307047.578 4888120.094 9348500.335 3859819.774 6240354.028 6232134.542 4112216.392 5243342.264 6567814.575 6577641.071 3295102.134 3830609.7 6304761.865 4734361.784 3189727.618 8356057.486 212490.2205 3281611.969 3946082.567 4234936.511 4372873.41 3578907.275 4237792.043 3126974.27 3187698.16 2983600.042 3654100.407 4920411.751 3771047.499 218023.3694 236860.3734 193106.9819 294018.3018 170413.6166 thymol sulfate 88311.31905 9260756.433 24356990.69 20979355.03 134369.7325 783911.1718 4839244.804 4873496.023 58610795.05 48971730.08 648938.2353 7078961.618 8399896.943 721222.4756 2783964.493 16797397.09 857977.7514 55933760.01 11565437.5 713756.3922 34783151.71 1391003.82 956711.951 4183741.167 11955750.94 21335948.25 21669643.18 2114420.843 4323888.82 33224132.81 95489621.44 414498.9035 5985166.181 2368380.42 2415786.233 10688785.91 59422955.55 135693.3564 3890793.665 124723227.7 324111.9018 39074390.97 6714636.612 61753538.07 658791.1573 3750734.121 72840284.73 1485349.408 22857991.63 20230075.33 792790.4163 43640454.8 650545.6357 1516061.678 2241782.169 4896002.385 3942140.559 429000.5953 412879.3829 40924151.46 12418558.21 163713.0681 2184197.55 1485366.647 5780739.065 964034.7714 5905538.387 7582223.618 1524353.46 482115.7983 1033681.688 21901860.54 24228918.21 11554230.79 7934937.833 6862681.357 152040023.4 18450880.57 21650396.22 2660223.991 4404029.773 31816051.76 1009821.656 2815987.519 27058572.96 1253436.921 3197953.195 2438204.339 562001.2713 1312090.31 641026.0249 1546067.108 1336210.267 22189577.12 21087040.49 124898.1994 132317.3282 20767241.99 20860567.51 6620991.485 16482103.26 1857854.656 4860869.215 1440309.264 13841660.9 9061027.498 3427964.648 12238685.63 287806.3029 17524967.72 11138260.32 1271292.704 281516.2546 226943.0646 18404457.79 27494943.51 23872760 126665916.6 3654374.675 267556.3188 467619.548 1556623.656 10644870.01 309947858.1 1338950.864 6180928.396 7403045.154 378302931.5 5742406.552 8854092.041 349077.6323 6159712.076 24017472.69 23891488.96 945897.1005 8592151.088 15681166.87 70111858.28 5459348.092 16998003.07 4386363.927 55242971.9 25831784.98 1512958.908 13368877.67 59038576.4 2899254.911 132609.192 42250596.93 23634470.71 25991586.44 573393.3517 3062674.133 8278734.95 1600809.002 559525.0593 8421569.549 9672524.006 115405.5754 2077092.524 2812994.784 573594.0082 5406857.146 63554033.15 62377610.36 1876603.379 89417570.77 5139061.246 25289750.6 25724806.62 10799400.98 105785.2305 109384.7191 77553.7502 129508.6903 211386.1414 trans-Petroselinic acid 15122955.9 2831284990 2729888524 3622526518 2602868372 3655880676 4045627552 5686875208 3630577722 3276728451 1736557639 4783815459 3309893376 1011492217 3836133527 2621413114 3229217493 2227269350 3796972514 5044382677 1732722780 3489737578 3368704708 5842722942 4328111199 2766293406 3730841540 3562507820 3511379680 5060004667 971425313.3 2810560798 1744147341 2888672962 3189160958 2420175424 2059780208 4877103718 5588256187 2451841116 3534865349 2253579280 5549223499 4073823700 2033818591 3165175568 2584078396 2569564530 2852519456 3623896358 1683999690 3535939819 5792825714 4256737576 4151774796 3409278100 3895512457 4963896217 2732915045 1904628410 4884992949 6414268520 5679473339 5651446688 2411856856 3215917426 3435328535 3285240452 2200739732 3752771213 5667093096 2824211862 3930032496 2747710773 5442887547 1406719472 3449899686 2170242432 3140311034 3517758969 6484840929 3016662224 3474105354 4560310288 2030163047 4265501583 2993385971 4223034079 3034512824 1549659758 6326874987 1985913208 2727386485 3124929306 3860783009 3551716.828 11513742.01 2926465595 3756187793 2906212046 3958068777 6060217340 2458587807 2356948625 3091396480 4490282530 2332051817 3031284506 8326842443 5121514813 2079777191 1993964052 3695245101 5720760459 5309629777 3414752637 4236895115 3861819819 5556285068 4000215762 2372309327 3566078275 6421055696 2989567186 3006888447 3487894367 8098364810 4427037718 3346099759 3954799538 2265418390 4097884310 3230736287 4197649118 1953499426 1568688668 1452265683 4264737237 5136299619 2363314047 4046289325 1415011945 5389432532 3725271786 2788641601 1740869102 3063306401 4542602781 6985327284 3350663661 4453174899 2925013684 5230894617 2961366545 3734179216 1510664792 4524203061 2488515014 3440413.284 3563571558 4423276265 3356801195 4584962324 3768277214 3285661014 8709083528 3727400510 4296107817 3217179950 4199093148 4012194827 18569852.52 6748224.761 14807057.71 8370905.196 9328672.841 Triclosan sulfate 58246.58453 2066364.242 112556.1442 321073.452 74617.65535 56206.07826 23797456.93 313631.9998 52698.519 90415.1031 16422574.62 56952.94235 79239.47198 6112500.723 133092.976 50254.35849 122684.9328 93802.22577 90921.57074 70526.36105 68161.72611 56788.50835 10222731.26 67387.92698 2335290.809 56114.593 274082.858 93570.20704 56654.90464 67572.01421 695141.7902 59746.15499 58292.46764 60814.95228 61659.81713 51119.68309 1027747.399 66353.39888 45812.0244 18625259.03 83626.79493 393103.3404 46118.99981 325441.4761 20664403.35 58230780.54 74465.35363 57666.2177 69578.09437 214705.4319 147963.4098 52672.29901 544558.06 56003.05587 50867.0373 196694.8654 73813.83703 108548.0302 485204.1108 47032.31694 84011.88754 53097.66117 55820.00497 91657.10732 1318824.231 45766.47132 64787.99357 30051088.95 13614085.09 53651.58983 59220.41447 49055.93789 232037.8549 74190.57035 5183646.585 50125.77546 63699.40602 14362402.34 88197.87391 72527.7968 451190.2548 67881.32701 9222915.558 438081.852 78731.22102 56811.27877 70802.93097 82015.05514 54316.18863 55153.33923 57242.78804 66470.57488 54246.12237 63731.18516 155089.5712 61144.74791 54157.73641 51085.89233 230492.1351 79929.65774 67573.4054 1176346.367 49467.05992 67158.02654 27305016.24 56565.73922 3549807.027 100215.3993 101710.5097 387331.9287 67390.78375 58225.42159 90025.66029 44707.51304 215402.2587 58622.17187 252912.4007 1561802.229 94249.93174 52990.27816 62149.5196 77983.8529 171266.9394 75008.78059 107125.7294 68655.30418 61727.21812 54655.13221 71879.37928 26493374.42 9947613.44 405501.0898 72680.60638 193385.9427 1179009.331 3436628.175 56875.93683 79412.48842 113798.9599 480142.5274 234754.1455 26912570.08 16387444.13 77731.44025 53579.3352 2557996.019 62509.1003 54321.02872 3198582.895 61022.83952 204197.8719 99160.41487 781335.6559 95617.19907 75304.5045 11515354.38 52529.78625 9976498.885 63093.91536 13261123.63 33754869.33 68266.95423 55502.21132 79533.89156 152344.4407 104317.0838 64605.27939 54742.97173 78589.77297 246682.5146 1322302.408 68270.22485 73238.41619 49107.2139 90175.5418 102365.1748 Uricacid 79704.05743 669686019 630377490.4 638749987.6 723970164.6 734119567.4 822565192.7 797572548.9 656631581.7 808837740.5 985331137 899880755.9 740339489.4 1065773244 871147895.6 1138095560 1273656955 1326724339 1015917622 973013950.6 617633486.4 854967246.4 654371716.6 1238359106 662690469.7 609057695.9 639288035.3 645761591.4 768247466.2 1311105524 1234085971 1024795392 1046965793 1035049987 999855354.6 1138592389 803870769 1280870705 949487386.5 927430389.6 939962095 1055181833 1090562046 1172514748 929291405.5 1356181841 848614217.1 958543501.6 627128141.3 643097845.2 839055752 1219183718 849211173.8 894542196.6 899074585.1 1347143795 1548692439 871740178.9 561119249.1 1059798043 1030766321 996089575.4 984689088.3 878310698.4 889224877.7 938264385.8 934611362.9 1120287490 888145451.9 1030153558 1005137058 697200407.6 765134130.9 739743364.8 805858386.9 1144517983 1276761811 971266775 1104987921 855423434.2 712091359.3 688676014.1 1175276334 1011063201 502008745.5 854987798.2 912230188.7 1176259102 769711807.9 1130916602 1921720565 1098748417 822107436.1 763393120.5 790378439.3 70444.69788 65528.58148 663576759.6 687489444.3 969050957 653962114.8 1062504808 1118282176 722741880.1 930530940 1210705020 822622160.9 750350404.1 940655973.3 1217216197 847935240.8 921983854.7 874629175.8 803241620.4 896933311.6 749035593.9 746180298.5 753584335.4 853009201.1 895052959.8 958476703.8 1055566668 1071332359 946008254.9 1111630473 824107127.8 888912506.4 966039202.7 1039469964 1112708385 1061034012 976454338 823215085.5 860655087.6 1161634709 997844789.1 1183538416 1301031170 1013523599 991307873.8 681460762.2 1086264576 1168787373 1160866543 1262505896 821512484.9 1648032102 1312261087 1767746484 872390138.8 929009701.7 1521355757 567430331.3 886163312.6 1210244590 1117224114 1445374390 1580451210 104748.4797 1150025834 1296083391 1492105790 1656732536 1326811227 1450284349 1462982868 766293694.4 1318902785 1168732576 471732854.2 1317983854 77252.53886 75304.7281 77521.37842 74380.57983 69994.30682 Uridine 338862.2218 42476387.9 36838980.47 42662134.16 50748542.1 42198588.83 43201175.36 71215728.57 42425360.14 46658818.34 58138360.36 37048550.99 41232203.19 60249572.22 63189499.67 47251414.21 95545235.88 81807566.06 51465604.2 64888864.35 39682702.57 39845498.43 50746185.25 68646812.85 53385530.12 36610702.14 42852406.1 51983453.02 57486166.03 66018611.37 51980914.68 76611981.81 59664466.01 71673510.86 59008359.79 40026139 50929282.19 70676681.82 56349217.68 49037366.58 52681012.76 69693308.81 47871649.62 69721871.18 54790894 64128513.36 40378611.61 51192375.86 38420647.7 41623548.04 49759794.3 53677427.23 30267455.91 72952165.07 60422131.6 91829119.97 94627184.74 82947271.46 48945030.59 53426720.29 61250378.28 45441606.99 81248500.63 44598236.34 44263044.64 59249461.56 47529503.6 76342082.05 35596410.32 58290898.7 90988920.68 39753243.47 49878667.02 48442609.35 56008204.64 43901852.61 59224862.55 57319156.48 50108441 65067702.22 45642693.91 48667969.98 53333164.24 55352681.04 49403265.03 39418701.71 41577146.63 41804281.37 55422863.14 56819472.3 56010773.64 58600107.56 66061339.65 44010485.07 46407754.99 340740.2812 231079.7104 37244169.81 43528206.52 54610170.67 34060905 49712645.3 55204164.13 48381787.57 58650445.63 55519774.64 59258782.47 44177111.42 49023809.36 61095802.16 45735008.69 58242780.25 51446692.2 51443504.94 57941967.72 48583165.97 48779868.04 37325067.94 51546781.55 61761686.05 61473943.73 51320960.2 52786103.54 44883242.1 52378678.24 48751418.8 59505049.96 44976913.97 60305317.5 59427749.96 44892916 43120066.54 47462726.61 51349246.63 56654420.15 69037568.17 60400381.16 72744309.51 53852920.64 51384157.14 38337692.18 42926117.83 67569271.02 51095381.86 54806115.03 45833629.62 78921511.89 71136014.86 58465588.12 47922297.21 57030268.74 64551666.87 38112668.57 55604655.61 53616158.19 65303726.52 56058118.55 56452349.36 256097.8244 43632743.72 56827414.45 55997255.41 65754141.5 54028795.69 60940754.37 63531129.95 47612484.84 35729405.81 53116503.32 60862265.57 66417705.71 268829.1526 364127.5856 423623.8153 350228.2317 341593.0106 Ustusolate G 35728.13196 3092512.337 469525.5351 2030478.379 98227.31734 97708.59407 106481.8387 247274.1473 103599.2877 105296.9788 141727.5986 100838.8181 105784.8591 97799.44114 114559.3424 120803.697 523319.5234 464050.5523 85535.58957 105735.6954 100081.4049 101899.8321 104487.4113 91042.48959 111491.2882 498956.4634 2057188.673 97338.50782 97237.32597 99361.09506 241733.3029 108571.9087 116352.4954 91985.00792 93029.25685 102637.4117 106697.1902 91860.42149 101009.288 96107.03133 111943.4343 99510.1765 113151.8423 100462.6685 120751.2412 126565.817 96990.24577 117360.278 280459.3212 1904931.126 115647.3058 122442.48 109232.4272 121288.087 112573.9415 1549496.4 261247.8099 166154.3461 148657.9871 123450.8756 126427.5314 103275.9444 460759.2894 112664.6071 104635.4328 147271.9698 110200.3868 128690.97 106947.2371 117592.4378 109226.7225 641430.0834 1968119.666 114690.9959 102216.8523 130433.628 108426.643 876064.9405 130317.2181 137302.2502 112299.3801 107274.9901 130140.0231 155990.0334 143177.3837 143002.7658 99320.60561 135335.9687 129511.276 129680.7888 135924.4861 182954.0808 104244.1776 516533.9738 2434122.537 35036.92118 30779.85602 416637.3912 2197834.387 117162.4437 132220.831 122919.0835 154931.9981 106966.8967 99167.69586 107762.9029 130266.4296 116584.0222 4983176.434 118649.2518 109322.9738 132336.3681 113800.5795 94716.34785 303226.3671 543733.5613 2482811.083 130809.4417 145890.5718 119879.3005 1581351.731 105816.2065 111218.6868 120005.8669 146007.2075 147905.5274 2616425.41 425896.9249 140049.0828 127682.9902 127256.6764 131162.9283 600104.8678 2530280.452 154541.2415 5734190.762 1167712.099 146358.2021 144704.5056 2035893.926 124451.2706 153819.8284 167211.3692 155399.8033 106072.1795 131814.9617 5845275.021 156801.5256 130404.6464 544745.1842 2975177.123 188883.8443 169653.6047 144981.4356 117251.5006 681992.9956 152821.286 12241399.4 94834.3908 188372.2265 173638.6648 177832.073 192298.974 143603.1526 152305.2112 166620.4776 1983946.095 152020.0839 800133.0707 3052651.364 5009686.98 43258.1722 34067.21688 41272.96722 33651.76553 38280.01349 Vinyl 3-phenylacrylate 56250.40026 6278328.226 121929.6646 19913904.59 87047.1045 101586.4553 105490.3011 93424.76827 96394.04178 86492.85323 39096059.89 94772.29763 109156.0063 84660.13949 81215.2782 89052.16414 38878135.55 97244.54349 117320.1221 208592.991 85746.40161 105137.3918 95727.8654 102772.162 113776.7548 137614.9983 21299290.84 126507.1312 80355.3136 91427.23529 94675.57117 80172.92591 83683.82365 83908.12357 91910.50617 90331.27008 111710.1696 102689.3961 103995.1278 109582.1568 109522.7201 79293.63755 96258.99378 93837.34942 89794.78783 131698.4805 105559.02 151545.0727 129268.0052 22494108.63 91206.54257 140992.2815 116377.7103 79126.62966 105355.3669 110837.1588 132762.8666 148829.9129 111202.2607 45563666.13 122325.7501 101662.6085 94597.45306 89437.95963 133832.846 99169.38022 93397.07859 111637.5917 145222.5458 2422667.451 101223.5975 141725.6907 26393340.97 133682.4557 86696.67056 89381.2659 129773.1184 165247.0895 106133.8407 94503.16081 94647.29757 99968.51739 112025.0159 193431.6571 129368.7048 87978.47633 177358.0967 117265.6913 176434.0353 91448.23176 117226.5474 149426.1684 91028.4744 134127.5635 23747169.54 75326.6993 48428.44388 126007.3535 23326533.66 136830.1659 88197.60353 99502.76048 92883.91591 84244.40518 134446.7689 111942.7732 124403.9371 107926.0555 115843.5042 438942234.2 165029.5454 98708.49496 127721.1183 112112.7841 714009.5255 163628.8938 26776053.14 177771.9266 134390.5489 119950.0007 131896.6492 94330.27292 134822.9185 111010.3525 122017.1177 112416.0408 150403.9524 342770.0268 136332.4073 142345.1488 3334803.989 139374.2176 153607.0361 26153388.39 216108.8611 158227 134415.3152 128107.8519 113536.473 129254.477 155086.1694 145658.151 151578.0453 139638.4351 134679875.4 107093.5359 163754.4486 196807.5844 161330.4096 151087.1949 29324953.36 159353.6126 172582.4704 134635.1813 189218.7791 195056.6663 163669.534 186504.4882 69120.51798 188282.6673 141729.218 181883.5561 227551.3835 171520.6556 126117.4659 160854.5171 200994.6795 153985.2443 169669.0294 32082593.65 10679165.19 116973.3138 64537.13635 51515.75954 62450.462 72208.25991 Vinyl 6,6-dimethylheptanoate 69719.97022 6978769.01 9845851.675 8414236.119 12915384.13 20962831.18 13213631.54 30275758.43 16477508.66 13553938.53 6698935.979 10894298.13 20843354.32 9767585.719 28327841.54 10575338.25 4932559.323 15853506.04 13724174.74 14575670.47 25624473.97 16150939.86 27642542.94 17532172.96 30037503.81 10730700.51 9428260.61 17352007.9 12253129.8 14770185.43 12020827.3 19962635.63 17330191.78 20139535.27 13212382.04 9330148.583 18707295.67 12613568.74 12236727.9 19454258.42 19967560.05 10675805.17 22275053.81 11004597.82 8303703.007 14140843.75 17479424.5 13154852.34 10420434.99 9763099.678 17765407.41 11511210.98 22546361.33 17716884.9 18117800.28 23182416.2 26183711.9 17548023.05 10879879.5 8170806.515 29794665.52 28001661.17 16945152.09 19858175.25 11596988.22 11021355.82 14761082.95 29670761.7 19175443.47 22408470.38 15036413.89 11585048.61 11046886.52 19120552.61 26529052.03 9276000.203 24301147.48 26855064.29 12436943.21 13664041.19 15837644.02 26438728.18 15942509.24 14727495.13 8794369.174 23086023.89 17606863.35 11163418.19 17093654.6 6176195.709 19600841.67 8164452.363 8017370.343 13450588.47 9843445.493 89310.03835 122531.8761 11568885.05 9853915.391 16891347.39 10430018.03 25064287.17 15080121.91 12194402.04 20020919.64 19417740.32 15802540.68 21992828.37 37836022.61 23192969.67 9988023.12 31920971.77 18923720.87 23940220.18 16706547.85 15377302.96 12257519.43 46951902.54 36721450.47 18417617.66 24977232.59 23598923.53 36128240.94 33919768.43 14463964.07 39347915.14 28899922.89 34133898.53 31151075.9 20091203.92 17668688.19 49699759.49 14887275.78 13054218.66 27761232.23 7699335.714 17739553.32 27647285.56 35618958.38 18422929.92 39356539.79 20311764.39 27201619.5 36030134.39 13387232.75 13923761.57 4508831.793 20656595.59 29826914.95 15024884.44 13506040.6 17053249.2 35686233.4 20695326.14 24889850.3 14977984.74 20177432.8 34163402.69 109792.7429 34936606.94 30755911.37 36333496.33 23351482.97 40312178.36 19537433.83 33964310.12 60057263.44 34825068.47 17513664.04 14989491.68 13313672.09 138636.6514 149767.2295 73697.81701 149841.6918 107842.9713 Vulvic acid 842238.5969 1283859.174 1942075.038 2128310.161 3180870.754 3081088.985 1161620.803 7047613.465 1426409.748 1569140.776 339153.3535 2388869.374 5547718.661 545481.2414 1831637.637 1512248.264 1056193.039 1342503.062 1294636.547 2244416.843 1335200.099 1313639.447 1378184.522 3040999.471 1731424.105 2168629.384 2307195.925 2626416.699 728889.4458 954967.1877 461746.9228 1222369.847 829077.0947 1347393.504 1949335.232 1546543.069 1273182.77 1695656.506 3715659.975 2063184.425 1800619.024 2152609.779 2456480.148 2021095.392 577220.7446 1193634.211 996621.9336 1978798.353 3912770.651 3776975.407 1597551.659 1633599.853 1829021.219 1723372.385 1358562.41 2454588.15 1709296.094 1543822.927 1439000.89 956177.6405 2239110.846 2619261.959 3329401.174 1154313.77 1212281.179 1066105.241 1242834.506 637688.1807 1792385.377 2276730.653 1757763.55 2274547.718 2597131.235 2107358.24 1397995.249 811651.5609 1407032.94 265671.6706 1490182.882 2493747.55 3991384.964 2906942.146 1762421.087 2175158.205 1574341.141 2300315.089 1295288.456 1073687.253 1672510.552 352367.1344 2119101.689 1562330.229 1014331.033 2487548.17 2995644.181 798622.878 595549.5284 3513911.713 2429635.202 1755604.317 2070893.667 2467567.066 834834.5716 1071450.886 2202024.657 1268529.838 2041583.073 1904409.471 4316302.54 1997359.471 1259821.002 1430371.919 1818413.211 2196206.758 2158955.914 2838452.584 2838849.095 5663455.507 3886411.967 1783142.696 1847797.26 1562359.563 2565178.085 1714370.445 1590860.487 1639633.124 4359621.612 3607076.58 1323630.763 1825352.024 3264379.619 3033023.843 2597291.935 2979130.122 2275110.682 1934718.719 744990.1055 1224305.327 3148663.642 3857707.815 2817167.422 1451856.196 2934981.665 2565830.968 1591748.139 830083.6125 1955676.687 2439879.611 3268081.262 2832902.125 4949087.905 2204114.036 1520632.594 1726234.615 1405687.48 845479.7756 6726858.951 3152629.534 933607.2284 2167871.115 1859251.469 2258119.096 2104247.579 3491257.22 1614791.023 4302573.353 3280203.769 1158457.861 4737444.073 5049583.863 2471999.354 626094.1565 652132.674 636816.7619 576461.3131 777681.9154 Xanthine 443831.8294 52415532.99 42712751.45 44035717.44 159991194.6 445445601.5 52931619.89 219825624.3 72288548.34 70631569.61 78563318.62 127725010.7 78569054.97 119321113.7 105043864.5 78739773.17 73440671.59 103137449.6 58265663.76 124525927.8 75374416.57 67179180.9 90974511.61 70336417.97 71995757.7 40545386.25 43093686.32 104229868.4 38668232.04 47999160.95 89326366.77 68660384.87 97421220 117990644.9 147683109 120081682.2 119711558 95157762.08 67416765.09 87040838.76 141494114.6 48331798.76 108036012.1 107798516.7 52418146.85 81988475.08 37646081.35 53807663.71 36956428.27 35388138.98 98409902.78 77219117.79 95879654.7 52498517.94 80550998.27 80427654.43 71420007.32 81815858.24 44777709.65 72145888.82 51003546.19 70698417.98 118304625.4 162751235.8 45329955.32 176547642 47175752.31 51373018.85 74000087.07 160747023.9 230750710.9 34812330.59 41536250.08 72411027.37 72791151.3 110194554.9 76745569.97 47752366.02 37768137.63 127022932.9 136690070 71565548.67 38374199.13 268705910.8 84128540.57 51897402.52 31130380.17 55216781.99 77988762.94 48361625.67 62106360.06 285527286.9 31876118.54 36222734.54 34931171.15 1675985.046 277813.4267 29209623.83 33623899.66 122647187.3 88352122.85 86854491.27 36111792.2 48825108.56 48400809.61 99499802.22 48139435.12 38780956.79 73546833.96 44645458.48 80115516.61 49813063.34 52513138.67 83569640.22 110751027.8 21659692.57 36321718.81 50430520.73 35305446.57 121150169.5 32193868.47 68525625.36 209997393.4 64487565.65 56039112.6 41874681.48 22790566.2 64206698.78 69874834.7 61659950.03 45415589.9 61285472.29 25084466.46 25675536.42 34677837.62 81754547.61 56258207.21 61965790.9 103740090.5 35705485.64 42161167 77758521.2 60818485.27 28090130.85 55284349.57 87527417.62 95993625.35 144655195.7 62019224.85 26381115.87 28042549.81 127478257.9 85017780.84 91222368.44 93969725.39 56479082.65 62540012.06 58535284.93 495986.8565 35160350.28 369409780.9 84423495.81 77649745.7 114573581.1 57414415.55 78885113.87 27608968.9 104012675.3 46003534.79 30430756.81 37222897.09 521791.7439 293956.3496 642485.2837 552247.2817 411921.199 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 (9S,10S)-9,10-dihydroxyoctadecanoic acid - VACHUYIREGFMSP-IRXDYDNUSA-N C18 H36 O4 316.26143 315.25416 58.56 [M-H]-1 2b 0 1 0 0 0 1 Meso-2,2'-iminodipropanoic acid - FIOHTMQGSFVHEZ C6 H11 N O4 161.06886 160.06158 208.8 [M-H]-1 2b 0 1 0 0 0 1 ?-Muricholic Acid Muricholic acid DKPMWHFRUGMUKF C24 H40 O5 408.28793 407.2806 139.26 [M-H]-1 2a 0 1 0 0 1 0 (-)-Menthylacetate Menthyl acetate XHXUANMFYXWVNG C12 H22 O2 198.16209 197.15481 51.12 [M-H]-1 2b 0 1 0 0 0 1 (+)-Bornane-2_5-dione Bornane-2,5-dione UDIUFGIXIGLRSM C10 H14 O2 166.09942 165.09214 56.88 [M-H]-1 2b 0 1 0 0 0 1 (+)-exo-5-Hydroxycamphor - DJQYBVLXBVJHMU C10 H16 O2 168.11516 167.10782 56.28 [M-H]-1 2b 0 1 0 0 0 1 (+/-)9-HpODE - JGUNZIWGNMQSBM C18 H32 O4 312.2303 311.223 52.86 [M-H]-1 2a 0 1 0 0 1 0 (±)-Abscisic acid Abscisic acid LIDBLDQVAYHNE C15 H20 O4 264.13633 263.12905 61.14 [M-H]-1 2a 0 1 0 0 1 0 (15Z)-9,12,13-Trihydroxy-15-octadecenoic acid - DNWUYCUUEGGVPR C18 H34 O5 330.24085 329.23357 61.32 [M-H]-1 2a 0 1 0 0 1 0 (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid - BYPXGAVDTZXOLE C7 H10 O4 158.05801 157.05075 137.1 [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 228.04578 227.0385 38.58 [M-H]-1 2b 0 1 0 0 0 1 (2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid - OSCCDBFHNMXNME C6 H13 N O3 147.08962 146.08234 321.6 [M-H]-1 2b 0 1 0 0 0 1 (2R,3S)-2,3-dimethylmalic acid - WTIIULQJLZEHGZ C6 H10 O5 162.05287 161.0456 278.52 [M-H]-1 2b 0 1 0 0 0 1 (9Z)-Tetradecenoicacid Myristoleic acid YWWVWXASSLXJHU C14 H26 O2 226.19348 225.1862 61.62 [M-H]-1 2b 0 1 0 0 0 1 (E)-3-[4-(Sulfooxy)phenyl]acrylic acid 4-Hydroxycinnamate sulfate OYDCCWNLILCHDJ C9 H8 O6 S 244.00428 242.997 38.46 [M-H]-1 2b 0 1 0 0 0 1 (R)-2-Hydroxyglutarate 2-Hydroxyglutaric acid HWXBTNAVRSUOJR C5 H8 O5 148.03727 147.02999 316.92 [M-H]-1 2b 0 1 0 0 0 1 (R)-3-(4-Hydroxyphenyl)lactate - JVGVDSSUAVXRDY C9 H10 O4 182.05801 181.05074 95.88 [M-H]-1 2b 0 1 0 0 0 1 (R)-3-Hydroxybutanoate 3R-Hydroxybutyric acid WHBMMWSBFZVSSR C4 H8 O3 104.04746 103.04019 133.74 [M-H]-1 2b 0 1 0 0 0 1 (R)-Lactate Lactic acid JVTAAEKCZFNVCJ C3 H6 O3 90.03171 89.02444 154.02 [M-H]-1 2b 0 1 0 0 0 1 (R)-Malate D-Malic acid BJEPYKJPYRNKOW C4 H6 O5 134.02162 133.01434 325.68 [M-H]-1 2b 0 1 0 0 0 1 (R)-Pantolactone Pantolactone SERHXTVXHNVDKA C6 H10 O3 130.06303 129.05576 56.46 [M-H]-1 2b 0 1 0 0 0 1 (S)-2-Acetolactate (S)-2-Acetolactate NMDWGEGFJUBKLB C5 H8 O4 132.04238 131.03505 278.16 [M-H]-1 2b 0 1 0 0 0 1 (S)-Methylmalonatesemialdehyde (S)-Methylmalonic acid semialdehyde VOKUMXABRRXHAR C4 H6 O3 102.0318 101.02453 134.64 [M-H]-1 2b 0 1 0 0 0 1 [FAmethyl(14:0)]12-methyl-tetradecanoicacid - XKLJLHAPJBUBNL C15 H30 O2 242.22476 241.2175 48.6 [M-H]-1 2b 0 1 0 0 0 1 [FAoxo(12:0)]12-oxo-10E-dodecenoicacid Traumatin INMKWUNQKOWGEZ C12 H20 O3 212.14141 211.13413 60 [M-H]-1 2b 0 1 0 0 0 1 [ST(2:0)]22S_25S-furospirost-5-en-3beta_26-diol - NELZMZLNTYWIPD C27 H42 O4 430.30852 429.30121 57.48 [M-H]-1 2b 0 1 0 0 0 1 1_3-Dimethyluricacid(Oxytheophylline) 1,3-Dimethyluric acid OTSBKHHWSQYEHK C7 H8 N4 O3 196.05969 195.05241 157.26 [M-H]-1 2b 0 1 0 0 0 1 1_5-Anhydro-D-mannitol 1,5-Anhydro-mannitol MPCAJMNYNOGXPB C6 H12 O5 164.06859 163.06129 180.12 [M-H]-1 2b 0 1 0 0 0 1 1-deoxynojirimycin - LXBIFEVIBLOUGU C6 H13 N O4 163.08452 162.07724 258.84 [M-H]-1 2b 0 1 0 0 0 1 1-Methoxy-dec-2-ene-4,6,8-triyne - PZLZEXRSLQTBJE C11 H10 O 158.07332 157.06604 94.92 [M-H]-1 4 0 1 0 0 0 0 1-methylpropyl-tridecanolide - LCSBQXXSNDOFFD C17 H32 O2 268.24044 267.23319 47.28 [M-H]-1 2b 0 1 0 0 0 1 1-Methyluricacid 1-Methyluric acid KWNBDPJHEKVDAW C6 H6 N4 O3 182.04413 181.03686 212.52 [M-H]-1 2b 0 1 0 0 0 1 1-Phenyl-1,2-propanedione - BVQVLAIMHVDZEL C9 H8 O2 148.05251 147.04524 241.14 [M-H]-1 2b 0 1 0 0 0 1 1-Pyrroline-4-hydroxy-2-carboxylate 1-Pyrroline-4-hydroxy-2-carboxylate AOMLMYXPXUTBQH C5 H7 N O3 129.04269 128.03541 258.06 [M-H]-1 2b 0 1 0 0 0 1 1-Thio-beta-D-glucopyranose - JUSMHIGDXPKSID C6 H12 O5 S 196.0406 195.03332 134.34 [M-H]-1 2b 0 1 0 0 0 1 1,6-Dioxacyclododecane-7,12-dione - AXKZIDYFAMKWSA C10 H16 O4 200.10499 199.09772 213.54 [M-H]-1 2b 0 1 0 0 0 1 10-hydroxy-2E-decenoic acid - QHBZHVUGQROELI C10 H18 O3 186.12568 185.11841 53.64 [M-H]-1 2b 0 1 0 0 0 1 10-hydroxydecanoicacid 10-Hydroxydecanoic acid YJCJVMMDTBEITC C10 H20 O3 188.14131 187.13406 53.82 [M-H]-1 2b 0 1 0 0 0 1 10-Oxodecanoate 10-Oxodecanoic acid FYURGFQVSMALOD C10 H18 O3 186.12569 185.11841 61.38 [M-H]-1 2b 0 1 0 0 0 1 11(Z)-Eicosenoic acid cis-Gondoic acid BITHHVVYSMSWAG C20 H38 O2 310.28741 309.28013 46.5 [M-H]-1 2a 0 1 0 0 1 0 11(Z),14(Z)-Eicosadienoic Acid 11Z,14Z-Eicosadienoic acid XSXIVVZCUAHUJO C20 H36 O2 308.27168 307.2644 46.8 [M-H]-1 2a 0 1 0 0 1 0 12-Hydroxydodecanoicacid1 12-Hydroxy lauric acid ZDHCZVWCTKTBRY C12 H24 O3 216.17262 215.16535 55.56 [M-H]-1 2b 0 1 0 0 0 1 12-Hydroxydodecanoicacid2 12-Hydroxy lauric acid ZDHCZVWCTKTBRY C12 H24 O3 216.17284 215.16556 64.5 [M-H]-1 2b 0 1 0 0 0 1 14-hydroxy-12-tetradecenoic acid 14-Hydroxy-12-tetradecenoic acid ICTIYYVVZNILKD C14 H26 O3 242.18842 241.18114 52.14 [M-H]-1 2b 0 1 0 0 0 1 16-Hydroxyhexadecanoic acid Juniperic acid UGAGPNKCDRTDHP C16 H32 O3 272.23544 271.22816 54.18 [M-H]-1 2a 0 1 0 0 1 0 16-O-sulfo-18-norisopimar-7-en-4α,16-diol - MGAAHPXIGWJLPX C19 H32 O5 S 372.19708 371.1898 43.38 [M-H]-1 2b 0 1 0 0 0 1 19:1(12Z) - UZIIAZIXTSAEPN C19 H36 O2 296.27201 295.26429 47.34 [M-H]-1 2b 0 1 0 0 0 1 2-(beta-D-Glucosyl)-sn-glycerol - AQTKXCPRNZDOJU C9 H18 O8 254.10034 253.09306 177.96 [M-H]-1 2b 0 1 0 0 0 1 2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol - AAKDPDFZMNYDLR C7 H15 N O4 177.10017 176.0929 258.78 [M-H]-1 2b 0 1 0 0 0 1 2-Acetamidophenol - ADVGKWPZRIDURE C8 H9 N O2 151.06335 150.05607 57.66 [M-H]-1 2b 0 1 0 0 0 1 2-Carboxy-2_3-dihydro-5_6-dihydroxyindole Leucodopachrome JDWYRSDDJVCWPB C9 H9 N O4 195.05319 194.04591 140.34 [M-H]-1 2b 0 1 0 0 0 1 2-chloro-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione - SXCLPOXHBILXEY C8 H7 Cl O3 186.00855 185.00127 60.78 [M-H]-1 2b 0 1 0 0 0 1 2-coumarate - PMOWTIHVNWZYFI C9 H8 O3 164.04747 163.04019 53.4 [M-H]-1 2b 0 1 0 0 0 1 2-Dehydro-D-gluconate 2-Dehydro-D-gluconic acid VBUYCZFBVCCYFD C6 H10 O7 194.04269 193.03542 321.72 [M-H]-1 2b 0 1 0 0 0 1 2-hydroxy hendecanoic acid - MNRBGFKCVTVNBA C11 H22 O3 202.15705 201.14978 57 [M-H]-1 2b 0 1 0 0 0 1 2-hydroxy palmitic acid 2-Hydroxy palmitic acid JGHSBPIZNUXPLA C16 H32 O3 272.23543 271.22815 46.32 [M-H]-1 2b 0 1 0 0 0 1 2-Hydroxy-5-vinylphenyl hydrogen sulfate - WJSNOGSNIHAQKB C8 H8 O5 S 216.00944 215.00216 38.58 [M-H]-1 2b 0 1 0 0 0 1 2-Hydroxy-6-ketononatrienedioate - WCJYZUFKKTYNLB C9 H8 O6 212.03228 211.02501 38.34 [M-H]-1 2b 0 1 0 0 0 1 2-hydroxycaproicacid 2-Hydroxyhexanoic acid NYHNVHGFPZAZGA C6 H12 O3 132.07871 131.07143 62.04 [M-H]-1 2b 0 1 0 0 0 1 2-Hydroxyethyl laurate - CTXGTHVAWRBISV C14 H28 O3 244.20397 243.1967 52.32 [M-H]-1 4 0 1 0 0 0 0 2-Methylenebornane - ZASFWGOMAIPHLN C11 H18 150.14094 195.13914 51.72 [M+FA-H]-1 2b 0 1 0 0 0 1 2-Methylserine 2-Methylserine CDUUKBXTEOFITR C4 H9 N O3 119.05837 118.0511 317.94 [M-H]-1 2b 0 1 0 0 0 1 2-Oxoglutaramate 2-Keto-glutaramic acid COJBGNAUUSNXHX C5 H7 N O4 145.03754 144.03026 136.2 [M-H]-1 4 0 1 0 0 0 0 2-Oxovalericacid - MVJLYXCJBPXRCY C5 H8 O3 116.04743 115.04016 60.66 [M-H]-1 2b 0 1 0 0 0 1 2,2'-Methylenebis(6-tert-butyl-4-methylphenol) - KGRVJHAUYBGFFP C23 H32 O2 340.24017 339.23289 45.72 [M-H]-1 2b 0 1 0 0 0 1 2,4-diaminopentanoic acid - PCEJMSIIDXUDSN C5 H12 N2 O2 132.08992 131.08264 344.16 [M-H]-1 2b 0 1 0 0 0 1 2,4-Dimethyl-2E,4E-heptadien-1-ol - FOGJPHRWJKZCAO C9 H16 O 140.12022 185.11843 53.58 [M+FA-H]-1 2b 0 1 0 0 0 1 2,4'-Dihydroxyacetophenone - KLAKIAVEMQMVBT C8 H8 O3 152.04741 151.04014 61.44 [M-H]-1 2b 0 1 0 0 0 1 2,5-dihydroxy-3-methanesulfinylbenzyl alcohol - NADRVFUNXRGAII C8 H10 O4 S 202.03012 201.02284 39.24 [M-H]-1 2b 0 1 0 0 0 1 2,5-Dimethyl-3-hexyne-2,5-diol - IHJUECRFYCQBMW C8 H14 O2 142.09951 141.09224 60.96 [M-H]-1 2b 0 1 0 0 0 1 2'-amino-2'-deoxyguanosine - NOUMDGXCGDQQOD C10 H14 N6 O4 282.10807 281.10079 56.52 [M-H]-1 2b 0 1 0 0 0 1 2',4'-Dihydroxydihydrochalcone - ZUKLXLKVCGZHAA C15 H14 O3 242.09447 241.0872 56.46 [M-H]-1 2b 0 1 0 0 0 1 3_5-Dihydroxy-phenylglycine - HOOWCUZPEFNHDT C8 H9 N O4 183.05331 182.04603 52.74 [M-H]-1 2b 0 1 0 0 0 1 3-(4-Methoxyphenyl)propyl hydrogen sulfate1 - LZRUJECSWOAXOK C10 H14 O5 S 246.05627 245.049 40.08 [M-H]-1 2b 0 1 0 0 0 1 3-(4-Methoxyphenyl)propyl hydrogen sulfate2 - LZRUJECSWOAXOK C10 H14 O5 S 246.05629 245.04901 45.78 [M-H]-1 2b 0 1 0 0 0 1 3-Chlorotyrosine 3-Chlorotyrosine ACWBBAGYTKWBCD C9 H10 Cl N O3 215.03513 214.02786 97.32 [M-H]-1 2b 0 1 0 0 0 1 3-Dehydroquinate 3-Dehydroquinate WVMWZWGZRAXUBK C7 H10 O6 190.0478 189.04052 164.94 [M-H]-1 2b 0 1 0 0 0 1 3-deoxy-D-glycero-hexo-2,5-diulosonic acid - IBGYNIRCYXIAON C6 H8 O6 176.03213 175.02486 304.56 [M-H]-1 2b 0 1 0 0 0 1 3-Indoleacetic Acid Indoleacetic acid SEOVTRFCIGRIMH C10 H9 N O2 175.06343 174.05615 63.78 [M-H]-1 2b 0 1 0 0 0 1 3-Indolepropionicacid 3-Indolepropionic acid GOLXRNDWAUTYKT C11 H11 N O2 189.07911 188.07183 61.56 [M-H]-1 4 0 1 0 0 0 0 3-Methylindole 3-Methylindole ZFRKQXVRDFCRJG C9 H9 N 131.07355 130.06627 62.16 [M-H]-1 2b 0 1 0 0 0 1 3-Oxododecanoicacid 3-Oxododecanoic acid DZHSPYMHDVROSM C12 H22 O3 214.15705 213.14978 56.16 [M-H]-1 2b 0 1 0 0 0 1 3-Ureidoisobutyrate Ureidoisobutyric acid PHENTZNALBMCQD C5 H10 N2 O3 146.06913 145.06185 332.1 [M-H]-1 2b 0 1 0 0 0 1 3,4-Dihydroxymandelic acid 3,4-Dihydroxymandelic acid RGHMISIYKIHAJW C8 H8 O5 184.03725 183.02999 61.32 [M-H]-1 2b 0 1 0 0 0 1 3,5-dichloro-4-hydroxy-benzoic acid - AULKDLUOQCUNOK C7 H4 Cl2 O3 205.95377 204.94649 40.08 [M-H]-1 2b 0 1 0 0 0 1 3,5-dihydroxybenzoic acid 3,5-Dihydroxybenzoic acid UYEMGAFJOZZIFP C7 H6 O4 154.02668 153.01941 40.08 [M-H]-1 2b 0 1 0 0 0 1 3b,16a-Dihydroxyandrostenone sulfate 3beta,16alpha-Dihydroxyandrostenone sulfate VGFDFWZBUWIRGA C19 H28 O6 S 384.16095 383.15367 44.46 [M-H]-1 2b 0 1 0 0 0 1 4-(2-Hydroxyethyl)phenyl hydrogen sulfate - VCRXMIQBQGCAAL C8 H10 O5 S 218.02498 217.0177 38.28 [M-H]-1 2b 0 1 0 0 0 1 4-amino-butanoic acid gamma-Aminobutyric acid BTCSSZJGUNDROE C4 H9 N O2 103.06346 102.05619 327.9 [M-H]-1 2b 0 1 0 0 0 1 4-Coumarylalcohol1 4-Coumaryl alcohol PTNLHDGQWUGONS C9 H10 O2 150.068 149.06073 74.22 [M-H]-1 2b 0 1 0 0 0 1 4-Coumarylalcohol2 4-Coumaryl alcohol PTNLHDGQWUGONS C9 H10 O2 150.06817 149.06088 61.38 [M-H]-1 2b 0 1 0 0 0 1 4-Ethyl-2-methoxyphenyl hydrogen sulfate - MKBJQFWSHNXYFZ C9 H12 O5 S 232.04062 231.03338 38.46 [M-H]-1 2b 0 1 0 0 0 1 4-Formyl-2-methoxyphenyl hydrogen sulfate - OUIKMDRGUNIXSP C8 H8 O6 S 232.00426 230.99699 38.94 [M-H]-1 4 0 1 0 0 0 0 4-Methylene-L-glutamine 4-Methylene-glutamine CEVQXWMPODOBRM C6 H10 N2 O3 158.06909 157.06176 333 [M-H]-1 2b 0 1 0 0 0 1 4-phenolsulfonic acid - FEPBITJSIHRMRT C6 H6 O4 S 173.99867 172.9914 40.32 [M-H]-1 2b 0 1 0 0 0 1 4-vinylguaiacol sulfate - KCHAXAGQVCJPN C9 H10 O5 S 230.02501 229.01772 38.22 [M-H]-1 2b 0 1 0 0 0 1 4-vinylphenol sulfate 4-Hydroxystyrene IETVQHUKTKKBFF C8 H8 O4 S 200.01441 199.00712 38.94 [M-H]-1 2b 0 1 0 0 0 1 4,5-Dihydroxy-1-naphthalenesulfonic acid - DBTLNKQGKRKJBT C10 H8 O5 S 240.00945 239.00221 37.8 [M-H]-1 2b 0 1 0 0 0 1 5-Acetylamino-6-formylamino-3-methyluracil 5-Acetylamino-6-formylamino-3-methyluracil RDZNZFGKEVDNPK C8 H10 N4 O4 226.07038 225.0631 139.86 [M-H]-1 2b 0 1 0 0 0 1 5-hydroxy-2,4-dioxopentanoic acid - PHPQIPPBBQUFII C5 H6 O5 146.0216 145.01432 304.44 [M-H]-1 2b 0 1 0 0 0 1 5-Hydroxyisourate 5-Hydroxyisouric acid LTQYPAVLAYVKTK C5 H4 N4 O4 184.02328 183.01601 200.46 [M-H]-1 2b 0 1 0 0 0 1 5-hydroxynorvaline - CZWARROQQFCFJB C5 H11 N O3 133.07398 132.06671 324.18 [M-H]-1 2b 0 1 0 0 0 1 5-Methoxyindoleacetate 5-Methoxyindoleacetic acid COCNDHOPIHDTHK C11 H11 N O3 205.07399 204.06671 61.74 [M-H]-1 4 0 1 0 0 0 0 5-methyl-2E-tridecenoic acid 5-Methyl-2E-tridecenoic acid HRQKXMSCZPCUSK C14 H26 O2 226.19346 225.18618 49.56 [M-H]-1 2b 0 1 0 0 0 1 5-oxo-6E,8Z-tetradecadienoic acid - CUBKHJDNGLGYAG C14 H22 O3 238.15712 237.14985 50.1 [M-H]-1 2b 0 1 0 0 0 1 5-sulfooxymethylfurfural - WVMJEBICTINBRO C6 H6 O6 S 205.9886 204.98133 38.64 [M-H]-1 2b 0 1 0 0 0 1 5(S)-HpEPE 5S-HpEPE NKXYOIJDQPQELO C20 H30 O4 334.2147 333.20742 59.04 [M-H]-1 2a 0 1 0 0 1 0 5alpha-androstane-3alpha-ol-17-one sulfate 5alpha-Androstane-3alpha-ol-17-one sulfate ZMITXKRGXGRMKS C19 H30 O5 S 370.18133 369.17405 41.52 [M-H]-1 2b 0 1 0 0 0 1 5alpha-androstane-3alpha,17beta-diol disulfate - JHFAETDERBWUOO C19 H32 O8 S2 452.15404 225.06974 44.34 [M-2H]-2 2b 0 1 0 0 0 1 6-[(methoxythio)carbonyl]pyridine-2-carboxylic acid methyl ester - MXAFHAYQTYCNNT C9 H9 N O4 S 227.0254 226.01813 41.52 [M-H]-1 2b 0 1 0 0 0 1 7-oxo-11E-Tetradecenoic acid - WPGZVCKWXQHYGF C14 H24 O3 240.17277 239.16549 52.68 [M-H]-1 2b 0 1 0 0 0 1 9-A1-PhytoP - GSIHBOIIJFLKIL C18 H28 O4 308.19896 307.19176 61.56 [M-H]-1 2b 0 1 0 0 0 1 9,12-hexadecadienoic acid 9,12-Hexadecadienoic acid RVEKLXYYCHAMDF C16 H28 O2 252.20916 251.20188 48.72 [M-H]-1 2b 0 1 0 0 0 1 9(Z),11(E)-Conjugated linoleic acid - JBYXPOFIGCOSSB C18 H32 O2 280.24037 279.23309 47.76 [M-H]-1 2a 0 1 0 0 1 0 9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid - OAIJQUCVLFETGX C18 H30 O4 310.21464 309.20747 61.62 [M-H]-1 2b 0 1 0 0 0 1 Acesulfame Acesulfame YGCFIWIQZPHFLU C4 H5 N O4 S 162.99401 161.98673 43.62 [M-H]-1 2b 0 1 0 0 0 1 Actinozine A - NNPWPZGBFIMYHW C11 H18 N2 O4 242.12682 241.11955 137.16 [M-H]-1 2b 0 1 0 0 0 1 Adrenic acid Adrenic acid TWSWSIQAPQLDBP C22 H36 O2 332.2717 331.26442 46.38 [M-H]-1 2a 0 1 0 0 1 0 Alepric acid - DTHSUAKYTFUSQU C14 H24 O2 224.17781 223.17053 49.86 [M-H]-1 2b 0 1 0 0 0 1 all-cis-4,7,10,13,16-Docosapentaenoic acid - AVKOENOBFIYBSA C22 H34 O2 330.25607 329.24879 46.5 [M-H]-1 2a 0 1 0 0 1 0 Alliin Alliin XUHLIQGRKRUKPH C6 H11 N O3 S 177.04606 176.03878 133.74 [M-H]-1 4 0 1 0 0 0 0 Allopurinol Allopurinol OFCNXPDARWKPPY C5 H4 N4 O 136.03861 135.03132 133.74 [M-H]-1 2b 0 1 0 0 0 1 alpha-carboxydimethyloctylhydroxychroman - CUGVBZDXUTZXJO C24 H38 O4 390.27702 389.27013 61.26 [M-H]-1 2b 0 1 0 0 0 1 alpha-N-Phenylacetyl-L-glutamine alpha-N-Phenylacetylglutamine JFLIEFSWGNOPJJ C13 H16 N2 O4 264.11116 263.10389 143.28 [M-H]-1 2b 0 1 0 0 0 1 Ambrettolic acid Ambrettolic acid MKIFOPBVDBXRTO C16 H30 O3 270.2198 269.21252 51.24 [M-H]-1 2b 0 1 0 0 0 1 AminoDHQ AminoDHQ WEKGHNWYEFXAQP C7 H11 N O5 189.06382 188.05655 314.88 [M-H]-1 2b 0 1 0 0 0 1 Anhydroecgonine Methyl Ester - MPSNEAHFGOEKBI C10 H15 N O2 181.11042 180.10315 52.26 [M-H]-1 4 0 1 0 0 0 0 Anisole Anisole RDOXTESZEPMUJZ C7 H8 O 108.05765 107.05037 39.96 [M-H]-1 2b 0 1 0 0 0 1 Ascorbic acid-2-sulfate - XDBMXUKHMOFBPJ C6 H8 O9 S 255.98911 254.98184 304.44 [M-H]-1 2b 0 1 0 0 0 1 Benzocaine Benzocaine BLFLLBZGZJTVJG C9 H11 N O2 165.07907 164.07179 241.14 [M-H]-1 2b 0 1 0 0 0 1 Beta-Alanine beta-Alanine UCMIRNVEIXFBKS C3 H7 N O2 89.04776 88.04049 313.08 [M-H]-1 2b 0 1 0 0 0 1 bisphenol F Bisphenol F MQCPOLNSJCWPGT C13 H12 O2 200.08384 199.07656 58.56 [M-H]-1 2b 0 1 0 0 0 1 Bufexamac Bufexamac MXJWRABVEGLYDG C12 H17 N O3 223.12099 222.11371 61.2 [M-H]-1 4 0 1 0 0 0 0 Butylbutyrate Butyl butanoate XUPYJHCZDLZNFP C8 H16 O2 144.11508 143.1078 57.42 [M-H]-1 2b 0 1 0 0 0 1 carbapenem MM22383 - PRPNUZWHFGSGRV C13 H16 N2 O5 S 312.07826 311.071 137.1 [M-H]-1 2b 0 1 0 0 0 1 Catechol;1_2-Dihydroxybenzene Pyrocatechol YCIMNLLNPGFGHC C6 H6 O2 110.03686 109.02959 39.42 [M-H]-1 4 0 1 0 0 0 0 cholesterol sulfate Cholesterol sulfate BHYOQNUELFTYRT C27 H46 O4 S 466.31191 465.30463 38.22 [M-H]-1 2b 0 1 0 0 0 1 cis-Aconiticacid cis-Aconitic acid GTZCVFVGUGFEME C6 H6 O6 174.01646 173.00919 316.98 [M-H]-1 2b 0 1 0 0 0 1 Clozapine N-Oxide - OGUCZBIQSYYWEF C18 H19 Cl N4 O 342.12496 341.11772 244.5 [M-H]-1 4 0 1 0 0 0 0 Confluenine A - NKEXCFKOKFWDAA C11 H22 N2 O3 230.16321 229.15592 133.5 [M-H]-1 2b 0 1 0 0 0 1 Cortisol Cortisol JYGXADMDTFJGBT C21 H30 O5 362.20974 407.20787 57.3 [M+FA-H]-1 2b 0 1 0 0 0 1 CP 47,497-C6-Homolog - KQUGQXNYBWYGAI C20 H32 O2 304.24035 303.23308 46.8 [M-H]-1 2a 0 1 0 0 1 0 Creatinine Creatinine DDRJAANPRJIHGJ C4 H7 N3 O 113.05902 112.05175 137.88 [M-H]-1 2b 0 1 0 0 0 1 cucujolide XI - IRPJCUWMPPZCJN C18 H30 O2 278.22473 277.21744 48.24 [M-H]-1 2b 0 1 0 0 0 1 Cysteine-S-sulfate Cysteine-S-sulfate NOKPBJYHPHHWAN C3 H7 N O5 S2 200.97669 199.96941 256.02 [M-H]-1 2b 0 1 0 0 0 1 D-Arabinonate Arabinonic acid QXKAIJAYHKCRRA C5 H10 O6 166.04778 165.04051 300.36 [M-H]-1 2b 0 1 0 0 0 1 D-Arabitol1 Arabitol HEBKCHPVOIAQTA C5 H12 O5 152.06854 151.06125 216.6 [M-H]-1 2b 0 1 0 0 0 1 D-Arabitol2 Arabitol HEBKCHPVOIAQTA C5 H12 O5 152.06856 151.06129 105.18 [M-H]-1 2b 0 1 0 0 0 1 D-Asparagine D-Asparagine DCXYFEDJOCDNAF C4 H8 N2 O3 132.05355 131.04627 334.38 [M-H]-1 2b 0 1 0 0 0 1 D-Aspartate D-Aspartic acid CKLJMWTZIZZHCS C4 H7 N O4 133.0376 132.03032 332.04 [M-H]-1 2b 0 1 0 0 0 1 D-Iditol - FBPFZTCFMRRESA C6 H14 O6 182.0791 181.07182 149.34 [M-H]-1 2b 0 1 0 0 0 1 D-Pipecolicacid Pipecolic acid HXEACLLIILLPRG C6 H11 N O2 129.07906 128.07179 286.32 [M-H]-1 2b 0 1 0 0 0 1 D-Proline D-Proline ONIBWKKTOPOVIA C5 H9 N O2 115.06339 114.05612 284.64 [M-H]-1 2b 0 1 0 0 0 1 D-Serine D-Serine MTCFGRXMJLQNBG C3 H7 N O3 105.04273 104.03545 333.42 [M-H]-1 2b 0 1 0 0 0 1 D-Sorbitol Sorbitol FBPFZTCFMRRESA C6 H14 O6 182.07912 181.07184 269.1 [M-H]-1 2b 0 1 0 0 0 1 D-Tryptophan D-Tryptophan QIVBCDIJIAJPQS C11 H12 N2 O2 204.09001 203.08273 245.28 [M-H]-1 2b 0 1 0 0 0 1 DA9185000 - JJHHIJFTHRNPIK C12 H10 O S 202.04542 201.03815 154.56 [M-H]-1 2b 0 1 0 0 0 1 Decanoicacid Capric acid GYSCBCSGKXNZRH C10 H20 O2 172.14646 171.13918 53.16 [M-H]-1 2b 0 1 0 0 0 1 Dehydrofusaric acid - CHNSJWFYRAXVMQ C10 H11 N O2 177.0791 176.07176 61.62 [M-H]-1 2b 0 1 0 0 0 1 Deoxycholic Acid Deoxycholic acid KXGVEGMKQFWNSR C24 H40 O4 392.2931 391.28582 61.62 [M-H]-1 2a 0 1 0 0 1 0 Dibutyl phthalate Dibutyl phthalate DOIRQSBPFJWKBE C16 H22 O4 278.1518 277.14451 47.64 [M-H]-1 2a 0 1 0 0 1 0 Difluostatin A - MSLRDZDDYDCKDD C36 H22 O9 598.12594 597.11866 44.04 [M-H]-1 2b 0 1 0 0 0 1 Dihomo-gamma-linolenic acid Bishomo-gamma-linolenic acid HOBAELRKJCKHQD C20 H34 O2 306.256 305.24873 46.86 [M-H]-1 2a 0 1 0 0 1 0 Dimethachlor - SCCDDNKJYDZXMM C13 H18 Cl N O2 255.10275 314.11665 56.64 [M-H+HAc]-1 2b 0 1 0 0 0 1 Dinoseb 2-(1-Methylpropyl)-4,6-dinitrophenol OWZPCEFYPSAJFR C10 H12 N2 O5 240.07481 239.06753 37.56 [M-H]-1 2b 0 1 0 0 0 1 Diundecyl phthalate Diundecyl phthalate QQVHEQUEHCEAKS C30 H50 O4 474.37124 473.36396 51.78 [M-H]-1 2b 0 1 0 0 0 1 DL-Erythrono-1_4-lactone;Erythrono-1_4-lactone Erythrono-1,4-lactone SGMJBNSHAZVGMC C4 H6 O4 118.02677 117.0195 299.82 [M-H]-1 2b 0 1 0 0 0 1 DL-Isocitricacid Isocitric Acid ODBLHEXUDAPZAU C6 H8 O7 192.02714 191.01986 353.22 [M-H]-1 2b 0 1 0 0 0 1 Docosahexaenoic acid Docosahexaenoic acid MBMBGCFOFBJSGT C22 H32 O2 328.24042 327.23315 46.32 [M-H]-1 2a 0 1 0 0 1 0 docosapentaenoic acid Docosapentaenoic acid YUFFSWGQGVEMMI C22 H34 O2 330.25615 389.27 60.78 [M-H+HAc]-1 2b 0 1 0 0 0 1 DOD - VCCBEIPGXKNHFW C12 H10 O2 186.06821 185.06093 58.62 [M-H]-1 2b 0 1 0 0 0 1 Dothideomycetone A - YRAPWMYACXYABW C25 H40 O7 452.27822 451.27097 61.68 [M-H]-1 2b 0 1 0 0 0 1 Ecgonine Ecgonine PHMBVCPLDPDESM C9 H15 N O3 185.10522 184.09794 290.28 [M-H]-1 2b 0 1 0 0 0 1 Eicosanoicacid Arachidic acid VKOBVWXKNCXXDE C20 H40 O2 312.30315 311.29588 46.2 [M-H]-1 2b 0 1 0 0 0 1 Ent-cycloechinulin - RCTQPWJZZZLMBI C20 H21 N3 O3 351.15853 350.15125 61.44 [M-H]-1 4 0 1 0 0 0 0 Epothilone I3 - SHWUXGHQECDXLJ C30 H47 N O5 S 533.31745 532.31017 97.92 [M-H]-1 2b 0 1 0 0 0 1 Ethyl Paraben Ethyl paraben NUVBSKCKDOMJSU C9 H10 O3 166.06306 165.05578 61.38 [M-H]-1 2b 0 1 0 0 0 1 Ethyl(R)-3-hydroxyhexanoate Ethyl (R)-3-hydroxyhexanoate LYRIITRHDCNUHV C8 H16 O3 160.11001 159.10272 59.7 [M-H]-1 2b 0 1 0 0 0 1 Ethyl3-oxohexanoate Ethyl 3-oxohexanoate KQWWVLVLVYYYDT C8 H14 O3 158.09434 157.08706 49.56 [M-H]-1 2b 0 1 0 0 0 1 eugenol sulfate Eugenol sulfate XWAZTQUZONPJEW C10 H12 O5 S 244.04062 243.03334 39.24 [M-H]-1 2b 0 1 0 0 0 1 Fumaricacid Fumaric acid QISOBCMNUJQOJU C4 H4 O4 116.01109 115.00381 309.96 [M-H]-1 2b 0 1 0 0 0 1 gamma-Aminobutyric Acid gamma-Aminobutyric acid BTCSSZJGUNDROE C4 H9 N O2 103.06347 102.05619 296.46 [M-H]-1 2b 0 1 0 0 0 1 Garcinia acid Garcinia acid ZMJBYMUCKBYSCP C6 H8 O8 208.02204 207.01477 309.42 [M-H]-1 2b 0 1 0 0 0 1 Geranylacetate Geranyl acetate HIGQPQRQIQDZMP C12 H20 O2 196.14643 195.13915 51.72 [M-H]-1 2b 0 1 0 0 0 1 Glutamic Acid Glutamic acid WHUUTDBJXJRKMK C5 H9 N O4 147.05322 146.04595 327.84 [M-H]-1 2b 0 1 0 0 0 1 Glycochenodeoxycholic Acid (sodium salt) - AAYACJGHNRIFCT C26 H43 N O5 449.31456 448.30727 133.98 [M-H]-1 2a 0 1 0 0 1 0 Glycocholic Acid Glycocholic acid RFDAIACWWDREDC C26 H43 N O6 465.30928 464.302 208.32 [M-H]-1 2b 0 1 0 0 0 1 glycodeoxycholic acid Glycodeoxycholic acid WVULKSPCQVQLCU C26 H43 N O5 449.31454 448.30726 62.34 [M-H]-1 2b 0 1 0 0 0 1 guaiacol sulfate Guaiacol sulfate AQTYXAPIHMXAAV C7 H8 O5 S 204.0094 203.00213 38.82 [M-H]-1 2b 0 1 0 0 0 1 Harzianoic acid A - UDZRBDXBUYNBCW C14 H20 O5 268.13132 267.12404 61.32 [M-H]-1 2b 0 1 0 0 0 1 Heptan-2-one 2-Heptanone CATSNJVOTSVZJV C7 H14 O 114.10457 113.09739 61.38 [M-H]-1 2b 0 1 0 0 0 1 Hexadecanoicacid Palmitic acid IPCSVZSSVZVIGE C16 H32 O2 256.2404 255.23313 48.06 [M-H]-1 2b 0 1 0 0 0 1 Hippuric Acid Hippuric acid QIAFMBKCNZACKA C9 H9 N O3 179.05832 178.05104 96.66 [M-H]-1 2b 0 1 0 0 0 1 Imidazol-5-yl-pyruvate - JEJNWEREQWMOHB C6 H6 N2 O3 154.03792 153.03064 223.5 [M-H]-1 2b 0 1 0 0 0 1 Indole-3-pyruvicacid Indolepyruvate RSTKLPZEZYGQPY C11 H9 N O3 203.0584 202.05112 57.9 [M-H]-1 2b 0 1 0 0 0 1 Indoxylsulfate Indoxyl sulfate BXFFHSIDQOFMLE C8 H7 N O4 S 213.00974 212.00246 42.42 [M-H]-1 2b 0 1 0 0 0 1 L-2-Amino-3-oxobutanoicacid L-2-Amino-3-oxobutanoic acid SAUCHDKDCUROAO C4 H7 N O3 117.04273 116.03545 211.68 [M-H]-1 2b 0 1 0 0 0 1 L-Cystine Cystine LEVWYRKDKASIDU C6 H12 N2 O4 S2 240.02405 239.01678 355.38 [M-H]-1 2b 0 1 0 0 0 1 L-Isoleucine Isoleucine AGPKZVBTJJNPAG C6 H13 N O2 131.09461 130.08734 255.12 [M-H]-1 2b 0 1 0 0 0 1 L-Methionine Methionine FFEARJCKVFRZRR C5 H11 N O2 S 149.05116 148.04389 264.9 [M-H]-1 2b 0 1 0 0 0 1 L-Tyrosine Tyrosine OUYCCCASQSFEME C9 H11 N O3 181.07398 180.06671 280.98 [M-H]-1 2b 0 1 0 0 0 1 L(+)-Citrulline;2-Amino-5-uredovalerate Citrulline RHGKLRLOHDJJDR C6 H13 N3 O3 175.09571 174.08843 344.16 [M-H]-1 2b 0 1 0 0 0 1 Lauric acid Lauric acid POULHZVOKOAJMA C12 H24 O2 200.17776 199.17048 50.64 [M-H]-1 2b 0 1 0 0 0 1 Limonene-1_2-diol - WKZWTZTZWGWEGE C10 H18 O2 170.13079 169.12352 54.24 [M-H]-1 2b 0 1 0 0 0 1 Lithocholic acid Lithocholic acid SMEROWZSTRWXGI C24 H40 O3 376.29796 375.29065 57.18 [M-H]-1 2b 0 1 0 0 0 1 LMFA01060236 - UNUKMHHAQBXDMO C16 H28 O3 268.2041 267.19682 51 [M-H]-1 2b 0 1 0 0 0 1 LMST04010241 - ZZUMXQCSMJCDDC C24 H36 O5 404.25704 449.25531 61.08 [M+FA-H]-1 2b 0 1 0 0 0 1 Lyophyllin - HQAXXRWVFPWZIL C4 H9 N3 O2 131.0695 130.06222 317.52 [M-H]-1 2b 0 1 0 0 0 1 Margaric acid Margaric acid KEMQGTRYUADPNZ C17 H34 O2 270.25616 269.24885 47.7 [M-H]-1 2b 0 1 0 0 0 1 Marilone C - GATINKBJRDIBBW C20 H26 O4 330.18332 329.17605 57.18 [M-H]-1 2b 0 1 0 0 0 1 Methylfarnesoate - AWVGVHUVOTVOAQ C16 H26 O2 250.19346 249.18618 48.72 [M-H]-1 2b 0 1 0 0 0 1 MFCD00272697 - GCMVATDSSHTCOS C12 H16 N2 O5 S 300.07785 299.07057 244.98 [M-H]-1 2b 0 1 0 0 0 1 Mucronine B Mucronine B HBLUGHSSFJXCOA C28 H36 N4 O4 492.27294 491.26566 57 [M-H]-1 2b 0 1 0 0 0 1 Myristicacid Myristic acid TWJNQYPJQDRXPH C14 H28 O2 228.20913 227.20185 49.2 [M-H]-1 2b 0 1 0 0 0 1 N-Acetyl-D-glucosamine6-sulfate - WJFVEEAIYIOATH C8 H15 N O9 S 301.04685 300.03957 135.36 [M-H]-1 4 0 1 0 0 0 0 N-Acetyl-L-aspartate N-Acetylaspartic acid OTCCIMWXFLJLIA C6 H9 N O5 175.04812 174.04084 318.06 [M-H]-1 2b 0 1 0 0 0 1 N-Acetyl-L-Carnosine N-Acetylcarnosine BKAYIFDRRZZKNF C11 H16 N4 O4 268.11738 267.1101 293.1 [M-H]-1 2b 0 1 0 0 0 1 n-Amylbenzene - PWATWSYOIIXYMA C11 H16 148.12527 147.11804 53.64 [M-H]-1 2b 0 1 0 0 0 1 N-Methylpyridinium N-Methylpyridinium PQBAWAQIRZIWIV C6 H7 N 93.05799 92.05074 61.2 [M-H]-1 2b 0 1 0 0 0 1 N-Ribosylnicotinamide - JLEBZPBDRKPWTD C11 H14 N2 O5 254.09047 253.08319 36.96 [M-H]-1 2b 0 1 0 0 0 1 N5-Ethyl-L-glutamine N(5)-Ethyl-glutamine DATAGRPVKZEWHA C7 H14 N2 O3 174.10048 173.09321 322.32 [M-H]-1 2b 0 1 0 0 0 1 Naphthalen-2-amine 2-Aminonaphthalene JBIJLHTVPXGSAM C10 H9 N 143.07374 188.07195 61.56 [M+FA-H]-1 2b 0 1 0 0 0 1 Nicotinicacid Nicotinic acid PVNIIMVLHYAWGP C6 H5 N O2 123.03211 182.04596 52.74 [M-H+HAc]-1 2b 0 1 0 0 0 1 Nigbeauvin B - MBZNUFZCBLXJOY C13 H16 O7 284.08976 283.08249 140.4 [M-H]-1 2b 0 1 0 0 0 1 Nonadecandioic acid - IFAWYXIHOVRGHQ C19 H36 O4 328.26137 327.2541 46.32 [M-H]-1 2b 0 1 0 0 0 1 Nonanal 10-Hydroxydecanoic acid YJCJVMMDTBEITC C9 H18 O 142.13586 187.13406 53.28 [M+FA-H]-1 2b 0 1 0 0 0 1 NSC 60689 - GWQOOADXMVQEFT C6 H8 S 112.03489 111.02762 392.64 [M-H]-1 2b 0 1 0 0 0 1 NSC 622050 - HOUSDILKOJMENG C16 H31 N O3 285.23057 284.22328 55.68 [M-H]-1 2b 0 1 0 0 0 1 Omeprazole Omeprazole SUBDBMMJDZJVOS C17 H19 N3 O3 S 345.11495 344.10768 55.86 [M-H]-1 2b 0 1 0 0 0 1 oxisuran - DSWLRNLRVBAVFC C8 H9 N O2 S 183.03551 182.02824 137.28 [M-H]-1 4 0 1 0 0 0 0 p-cresolsulfatepotassium;p-Cresolsulfate p-Cresol sulfate WGNAKZGUSRVWRH C7 H8 O4 S 188.01432 187.00705 39.96 [M-H]-1 2b 0 1 0 0 0 1 Palmitoleicacid Palmitoleic acid SECPZKHBENQXJG C16 H30 O2 254.22483 253.21755 48.42 [M-H]-1 2b 0 1 0 0 0 1 Panosialin B - USQVRFZEIYYKND C21 H36 O8 S2 480.18547 239.08546 41.28 [M-2H]-2 2b 0 1 0 0 0 1 Panosialin wD - DTKXGPUQRVDFCG C21 H36 O5 S 400.22849 399.22121 42.06 [M-H]-1 2b 0 1 0 0 0 1 Pantothenicacid(VitaminB5) Pantothenic acid GHOKWGTUZJEAQD C9 H17 N O5 219.11078 218.1035 210.72 [M-H]-1 2b 0 1 0 0 0 1 paracetamol sulfate Paracetamol sulfate IGTYILLPRJOVFY C8 H9 N O5 S 231.02021 230.01293 46.92 [M-H]-1 2b 0 1 0 0 0 1 Paraxanthine Paraxanthine QUNWUDVFRNGTCO C7 H8 N4 O2 180.06486 179.05759 61.5 [M-H]-1 2b 0 1 0 0 0 1 PE(16:0/0:0)1 LPE 16:0/0:0 YVYMBNSKXOXSKW C21 H44 N O7 P 453.28601 452.27875 61.92 [M-H]-1 2b 0 1 0 0 0 1 PE(18:0/0:0)2 LPE 18:0/0:0 BBYWOYAFBUOUFP C23 H48 N O7 P 481.31739 480.31001 61.86 [M-H]-1 2b 0 1 0 0 0 1 PE(19:0/0:0) LPE 19:0/0:0* GEWUBFCXNZWHKH C24 H50 N O7 P 495.33313 494.32571 61.8 [M-H]-1 2b 0 1 0 0 0 1 PE(20:0/0:0) LPE 20:0/0:0 HEQMDGOBDIGJOC C25 H52 N O7 P 509.34883 508.3413 61.8 [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 505.31756 504.31028 61.86 [M-H]-1 2b 0 1 0 0 0 1 PE(20:4(8Z,11Z,14Z,17Z)/0:0) PE 20:4(8Z,11Z,14Z,17Z)/0:0* JPNPIRVRGLGTRE C25 H44 N O7 P 501.2862 500.27892 61.56 [M-H]-1 2b 0 1 0 0 0 1 Peneciraistin C - MPVZXVXIZMIJFZ C19 H26 O9 398.15817 397.15087 134.28 [M-H]-1 4 0 1 0 0 0 0 Perfluoro-1-octanesulfonic acid (PFOS) Perfluorooctanesulfonic acid YFSUTJLHUFNCNZ C8 H F17 O3 S 499.93813 498.93085 36.3 [M-H]-1 2a 0 1 0 0 1 0 PG(16:0/18:1(9Z)) PG 16:0/18:1(9Z)* PAZGBAOHGQRCBP C40 H77 O10 P 748.52606 747.51878 60.78 [M-H]-1 4 0 1 0 0 0 0 Phenylacetaldehyde Phenylacetaldehyde DTUQWGWMVIHBKE C8 H8 O 120.05758 119.05028 61.44 [M-H]-1 2b 0 1 0 0 0 1 Phthalic Acid, Bis-Propyl Ester - MQHNKCZKNAJROC C14 H18 O4 250.12063 249.11335 58.14 [M-H]-1 2b 0 1 0 0 0 1 PI(15:0/22:1(11Z)) PI 15:0/22:1(11Z)* MNSQZCUZCDASJO C46 H87 O13 P 878.58941 877.58213 60 [M-H]-1 4 0 1 0 0 0 0 PI(16:0/22:1(11Z)) PI 16:0/22:1(11Z)* IHFWVIPLEXWUCY C47 H89 O13 P 892.6053 891.59803 60.06 [M-H]-1 4 0 1 0 0 0 0 Plumbagin Plumbagin VCMMXZQDRFWYSE C11 H8 O3 188.04741 187.04013 58.56 [M-H]-1 2b 0 1 0 0 0 1 pregnenolone sulfate Pregnenolone sulfate DIJBBUIOWGGQOP C21 H32 O5 S 396.19715 395.18987 40.26 [M-H]-1 2b 0 1 0 0 0 1 Pseudoaeruginosin NS1 - ULFMNSXBTYDMFI C27 H42 N6 O5 530.32062 529.31334 61.74 [M-H]-1 4 0 1 0 0 0 0 Pseudopyronine B - SJGBVXPXTMNDDG C17 H30 O3 282.2198 327.21802 58.02 [M+FA-H]-1 2b 0 1 0 0 0 1 Pulcherriminic acid Pulcherriminic acid BUHPPQFOKKRDPX C12 H20 N2 O4 256.14253 255.13525 133.98 [M-H]-1 2b 0 1 0 0 0 1 Pyridoxamine;2-Methyl-4-aminomethyl-5-hydroxymethyl-3-Pyridinol Pyridoxamine NHZMQXZHNVQTQA C8 H12 N2 O2 168.08997 167.08269 61.5 [M-H]-1 2b 0 1 0 0 0 1 Qinimycin B - WUEVZLPTHXVTBC C23 H29 N O9 463.18477 462.17749 147.66 [M-H]-1 4 0 1 0 0 0 0 Quinicacid Quinic acid AAWZDTNXLSGCEK C7 H12 O6 192.06348 191.0562 285.9 [M-H]-1 2b 0 1 0 0 0 1 quinol sulfate Quinol sulfate FPXPQMOQWJZYBL C6 H6 O5 S 189.99361 188.98633 39.24 [M-H]-1 2b 0 1 0 0 0 1 R)-2,3-Dihydroxy-isovalerate (R)-2,3-Dihydroxy-isovalerate JTEYKUFKXGDTEU C5 H10 O4 134.05802 133.05075 208.2 [M-H]-1 2b 0 1 0 0 0 1 Rimboxa - LMGKXMPKANQKTB C4 H8 O4 S 152.01442 151.00714 134.34 [M-H]-1 2b 0 1 0 0 0 1 Rishitin Rishitin XSCYYIVXGBKTOC C14 H22 O2 222.16216 221.15489 50.64 [M-H]-1 2b 0 1 0 0 0 1 S-Methyl-L-Cysteine-S-oxide S-Methylcysteine S-oxide ZZLHPCSGGOGHFW C4 H9 N O3 S 151.03038 150.0231 309.78 [M-H]-1 2b 0 1 0 0 0 1 S-Methylthioglycolate - HGTBAIVLETUVCG C3 H6 O2 S 106.00888 151.00708 134.52 [M+FA-H]-1 2b 0 1 0 0 0 1 sn-glycero-3-Phosphoethanolamine sn-Glycero-3-phosphoethanolamine JZNWSCPGTDBMEW C5 H14 N O6 P 215.05605 214.04877 342.9 [M-H]-1 4 0 1 0 0 0 0 Succinic acid Succinic acid KDYFGRWQOYBRFD C4 H6 O4 118.02676 117.01948 310.56 [M-H]-1 2b 0 1 0 0 0 1 Sulfosalicylic Acid - YCPXWRQRBFJBPZ C7 H6 O6 S 217.98861 216.98133 134.76 [M-H]-1 2b 0 1 0 0 0 1 Talarolutin C - UHRCUSBDMVNETF C21 H28 O6 376.18891 435.20271 59.16 [M-H+HAc]-1 2b 0 1 0 0 0 1 Taurine Taurine XOAAWQZATWQOTB C2 H7 N O3 S 125.01469 124.00742 271.8 [M-H]-1 2b 0 1 0 0 0 1 Tensyuic acid E - IOUNJEVHPQCKKE C14 H22 O6 286.14177 267.12393 61.08 [M-H-H2O]-1 2b 0 1 0 0 0 1 Testosterone sulfate Testosterone sulfate WAQBISPOEAOCOG C19 H28 O5 S 368.16584 367.15856 41.04 [M-H]-1 2a 0 1 0 0 1 0 THIODIPROPIONIC ACID 3,3'-Thiobispropanoic acid ODJQKYXPKWQWNK C6 H10 O4 S 178.03004 177.02276 97.02 [M-H]-1 2b 0 1 0 0 0 1 thymol sulfate Thymol NODSEPOUFZPJEQ C10 H14 O4 S 230.06135 229.05408 38.46 [M-H]-1 2b 0 1 0 0 0 1 trans-Petroselinic acid - NNPTVHABBUVOGA C18 H34 O2 282.25583 281.24855 47.16 [M-H]-1 2a 0 1 0 0 1 0 Triclosan sulfate - ZPFYUMPBKRRSTR C12 H7 Cl3 O5 S 367.9081 366.90082 36.84 [M-H]-1 2b 0 1 0 0 0 1 Uricacid Uric acid LEHOTFFKMJEONL C5 H4 N4 O3 168.02835 167.02107 287.64 [M-H]-1 2b 0 1 0 0 0 1 Uridine Uridine DRTQHJPVMGBUCF C9 H12 N2 O6 244.06961 243.06234 223.5 [M-H]-1 2b 0 1 0 0 0 1 Ustusolate G - MKLWBFOSJJEDLZ C21 H28 O7 392.18406 391.17678 61.32 [M-H]-1 2b 0 1 0 0 0 1 Vinyl 3-phenylacrylate - KCMITHMNVLRGJU C11 H10 O2 174.06811 173.06083 58.68 [M-H]-1 2b 0 1 0 0 0 1 Vinyl 6,6-dimethylheptanoate - WBZPMFHFKXZDRZ C11 H20 O2 184.14639 183.13911 53.4 [M-H]-1 2b 0 1 0 0 0 1 Vulvic acid Lauric acid POULHZVOKOAJMA C12 H24 O2 200.17781 199.17053 61.68 [M-H]-1 2b 0 1 0 0 0 1 Xanthine Xanthine LRFVTYWOQMYALW C5 H4 N4 O2 152.03345 151.02617 166.98 [M-H]-1 2b 0 1 0 0 0 1 METABOLITES_END #END