#METABOLOMICS WORKBENCH SinaiMetabolomics_20230409_004239 DATATRACK_ID:3852 STUDY_ID:ST002576 ANALYSIS_ID:AN005612 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 ZHP CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME SeQuant ZIC-HILIC (100 x 2.1mm,3.5um) CH:SOLVENT_A 100% acetonitrile; 0.1% formic acid CH:SOLVENT_B 100% water; 0.1% formic acid CH:FLOW_GRADIENT 15% of B until 1.00min; then from 15% to 65% of B until 4.50min; followed by an CH:FLOW_GRADIENT increase from 65% to 85% of B for 1 min; ending with 85% of B at 7.50 min. CH:FLOW_RATE 0.500 to 0.600 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 POSITIVE 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 "Triisopropanolamine" 183440.3466 29967864.9 4589659.401 4086515.312 5955685.208 5160153.209 5244105.879 8310719.059 10326714.39 7489825.449 9201351.497 5546400.418 18368915.84 9459447.145 66626291.6 17623514.93 5987556.906 4451750.284 7282963.299 18415512.77 5994206.307 8976492.238 6092166.204 5079451.825 5991879.181 4625678.283 5887172.996 6563601.711 12082865.37 5555682.084 6371571.799 17227610.52 6540937.13 7770470.792 15588953.26 5981365.225 18658942.35 7672788.398 18241041.94 12688569.3 4895247.933 7652515.45 9511100.68 8757233.907 16147256.76 4699829.247 9464633.477 5655992.327 9092361.244 5618784.124 12709313.46 20660462.24 17017193.12 14290611.78 10012977.7 6054965.92 12071479.48 5011526.158 5907235.879 15434657.03 12640640.58 4925549.562 11169669.31 5712615.066 5821316.989 5437372.428 6801041.804 5739166.696 6821522.728 5837664.54 5830333.905 5958367.962 5220486.309 4797388.924 5411171.309 5533821.912 5924618.032 4637344.079 8321689.845 16140941.94 6219744.585 5989009.8 5219439.707 15605698.13 5847694.67 8028525.818 12566025.46 8798434.524 6537624.339 5299575.04 20590510.34 18103390.1 6140123.076 5998109.959 6232834.526 6908998.235 6484255.912 4624788.127 4749615.474 6337573.266 10880586.76 8701835.743 5010517.228 4352664.726 13035913.76 5279682.511 8679190.666 8366793.355 20198338.08 9245562.554 3628051.267 4570606.635 4878653.489 5245991.161 53800585.92 6589809.287 5846917.604 8066797.892 7504071.861 23541978.4 5736845.522 17744051.4 13010072.32 4193068.473 12514299.97 7035518.194 7051913.053 36935870.47 6560487.735 6112284.849 5563700.197 4507873.62 4587986.087 4968302.052 5848834.99 6740844.936 10413546.84 28286127.51 24994027.06 14303665.72 9294019.396 16314851.76 6942594.128 4107647.933 5039007.999 4715389.321 12833299.49 95040445.51 6768316.375 5772609.607 5985867.238 7403513.298 4600319.961 6803667.249 4677171.933 60576745.07 9105505.432 6843288.06 9465452.606 14900947.01 14929673.01 10019477.95 10698975.25 9786857.558 10819614.81 14750077.45 12086584.45 4971798.635 5132912.484 9356310.262 11949954.58 9805965.385 6969513.137 6982854.945 7006513.136 6726931.737 (2E,4E)-7-methylocta-2,4-dienoic acid amide 88890.08618 1225080.303 180805.8217 9863262.039 134519.1932 230048.5043 316086.6221 167051.0818 149308.5613 344406.7983 139471.4457 139182.1604 122145.3417 156410.5703 146172.5758 155467.2689 547148719.3 152313.0775 1043181.423 169761.1085 194573.4264 240796.4908 183492.8114 230295.9491 208247.9622 140995.6127 12167744.21 123446.5599 154417.3957 195420.8113 183606.4189 176371690.4 300784.6084 251201.3756 126407.3526 294207.6124 500594.2687 153800.6423 150063.4396 223405.6588 151232.1158 407396.8287 396337.7321 348443.4988 142495.0595 259030.0099 348307.8184 249964.0664 146902.4284 11586165 405082.7294 299516.3814 121946.9833 147833.4297 188798.8085 189965.0336 340575.2035 378125.6254 301329.9772 428738.8117 151645.49 231962.413 242278.2561 724993.0167 171082.37 43369.33996 300185.6208 158847.7107 155953.0494 424279.1233 136175.7241 167295.3638 12814158.81 232971.9186 194195.9587 328635.1669 436800.0845 364676.1624 156151.2514 135664.9483 371962.0335 149543.4297 395184.3296 80324061.09 470362.2963 142581.2697 148326.006 151789.2838 137116.995 395493.6452 370392.0349 17790592.93 135625.7085 152267.9779 11221092.27 178321.1672 84777.19087 132969.8077 10785432.98 157358.8987 333428.4331 303530.0376 235717.1214 191237.7241 268577.2459 128234.2181 135008.9997 118049.5639 306388.1255 158788.8151 246256.5438 214752.023 128872.3249 111466.7131 246364.8302 313750.1979 13343186.72 245834916.3 133804.7944 137034.9375 159353.9389 151073.0472 395374.0445 158839.035 166749.5064 429665.4355 371455.7802 409895.9744 367213.6678 157367.7348 307909.3571 166745.3308 160863.4739 13604389.39 309009.446 518131.6204 252605.4376 507527.8997 441003.2132 528744.3639 349282.7664 425286.6437 188129.121 126541.6162 201008.0221 151314.1295 143158.1405 152255.6785 142633.0888 498201.5992 15846727.42 176039.8002 579822.7613 557091.6906 169086.7854 138438.5236 145021.8701 221380.2157 501788.4939 502243.7765 353953.5614 160787.289 370331.5602 506086.6503 607940.0021 573652.2208 156649.7945 156051.6798 374688.6802 15448893.25 1844408.157 82750.41902 91927.25675 82128.68953 91402.39482 90738.51797 (2R_4S)-2_4-Diaminopentanoate 1488299.314 140319453.8 215864485.1 200244069.9 128338918.9 175951099.6 188773795.1 345541485.1 176692799.4 173872310.9 206030052 156479335.9 132304784.3 196082099 225503091.2 306397404 345578798.9 291870000.1 168755608.3 276198478.6 293764389.5 171434608.6 244618097 208540408.8 251924342.8 219288486.6 216039387 134514402.9 208375690.2 226200735.1 453821818.7 310525744.9 263801887.3 234095198.1 362606553.4 191687757.9 250247280.1 145156861.4 179306724.3 242576606.8 303189141.4 127274970.4 171333701.6 149793931.9 141157106.3 187910029.5 179369021.4 156578751.4 219583829.9 221627831.1 235325564.9 336276079.2 146007200 343524389.6 169183772.2 366372147.5 356916255.7 128731704.7 211488814.1 234121871.9 307196952 200622119.2 348171287.5 147032787.5 183360146.7 303328841.4 221596140.4 226329888.4 209535579.8 292342935.3 195783581.8 278257085.4 291132757 199367394.7 188389022.4 304449522.5 191721045.6 176987948.1 124680927.8 225846394.2 195688574.3 231481483 194302517.7 295074487 259937197.4 133407584.5 120363113.8 277576291 240504561.5 172185690.3 221208394.5 313501605.7 161463559.6 298687832.8 265533270.6 11787662.03 766957.1158 253030526.2 241085168.6 217403294.1 216340673.1 198770491.5 293683627.3 200845484.5 123684288.7 354881860.6 283790254.2 196718859.8 142078154 160505038 218337026.1 188500218.6 225267034.8 219392533.2 257107874.4 289911077.3 245467484 242858576.8 180384354.7 201467246.1 235871813.5 198038738.8 140158212.5 142848999.9 346775922.4 162264061.1 145952857.2 147040924.4 336515852.1 202989816.7 214588478.9 142396002.1 319719263.2 295448323.2 193612604.8 337096889.2 206118118.2 379794382.3 190291702 147512960.1 204813298.9 204011997.7 332526042.9 321938382.1 291748025.6 213272428.3 275711910.3 234510455.1 206299142.2 329810303 311274674.1 450655742.4 181817172.6 279896312 289780036.2 154035588.7 244308208.3 234180647.8 321236908.1 217807342.7 267280352.9 312620177.9 339780327.7 226096570.7 264761044.8 268740325.3 112370291.5 166011306 356043374.1 348574182.6 323951104.6 1025582.442 340611.377 265922.2236 286862.7443 266660.3767 (2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid 4662632.114 6895141.591 5686742.869 6246757.505 4323759.078 5144475.748 3577321.725 39342806.39 2921881.356 2621649.873 8603996.587 3297957.501 5215239.086 3138091.731 2609656.078 5067844.774 3558777.809 23859842.42 3216864.306 7817377.428 2791729.171 5729168.172 9137166.371 4744758.51 7589059.563 6264604.579 5693280.814 3049527.866 3657664.746 2732521.542 9879759.731 2428501.926 3671410.426 2624298.144 7120583.456 5173491.664 5430800.588 1104631.2 2438461.873 6436144.086 3452922.428 3829803.8 7693510.914 2505265.547 4070275.159 5151211.412 7907720.034 4466119.491 5872022.468 6327594.966 7518226.108 30907216.65 4676532.545 3249600.477 2729456.292 6968774.612 4401857.91 2809494.609 2609471.379 5569693.388 3197861.682 2773800.653 4690967.373 3708615.366 4238591.688 2313999.88 7911952.151 47507315 5156729.203 5402020.865 2324058.631 5332926.891 6409569.877 4147246.277 2751730.895 5259599.736 5176678.852 3932885.519 3483339.381 4832285.851 2872094.705 378665.5369 3229481.857 6111571.34 6588332.067 2416749.666 2253830.655 4105527.208 3647438.466 4865328.709 2811128.81 5126717.942 3313979.427 5150659.014 5835516.632 1423148.581 1522876.811 5352087.11 5473313.017 13185618.25 3861863.038 5400296.723 5709704.406 1889103.854 2584855.766 5160831.953 4394883.293 3007699.265 10030383.87 5940046.457 1121374.52 3801672.48 1984171.165 1377784.556 2393471.508 6821589.734 5497074.841 5389665.441 7746095.062 3109620.464 7184420.75 5481088.073 11263231.05 3352713.009 5733994.165 6240856.482 7061417.126 7047373.475 4545939.42 341251.6619 6466046.578 5690005.654 6664430.778 5422282.786 6387096.817 27806843.74 25043488.91 1127257.111 3825055.939 7345994.014 5456563.93 4918370.971 14155179.4 3141699.322 4635645.033 3665199.831 10476845.07 915898.2011 1374170.106 6075888.577 6023800.723 5888792.925 3432280.175 3292560.111 3588148.356 5341275.565 1754283.193 13560095.87 7264598.042 4417733.077 1420289.691 14221250.63 5186993.179 4168169.973 2173955.658 1434981.074 9201051.488 2578563.517 6122593.507 6151538.796 8053557.604 1290713.25 4763214.276 4784187.78 3543558.195 4588083.253 (3S)-3_6-Diaminohexanoate 3095258.069 402203175.7 416568225.3 404586246.1 448508861.2 579127806.9 483250887.7 537862504.5 635457789.5 573183081.9 939520659.4 581271056.1 614187405.8 655970968.4 534104495.2 842858542.2 873614188.2 691745125.9 560414819.7 821834695.4 627745997.9 693652388.8 619135384 665772678.1 658610839.5 420099716.7 430339579.5 397044194.1 713804714.6 680098213.1 815607417.2 827255428.4 691926127.5 772799720.5 770396720 643359221.4 659552524.1 499461294 656435716.7 646819064 667553391.6 493563030.5 674777658.6 691463116.4 671309422.6 720258370.6 603528823.9 773278397.6 422059385.7 439533161.6 650033003.5 605062818.7 820221888.7 668500335.8 589994848.7 803677842 801353066.3 661196369.6 664748088.3 677365508.8 697880003.6 606502140.8 591595303 668919964 732972667.8 581433276.8 717092907.7 818433113 815136263.7 689493487.4 618145495.8 506641837.7 545333661.7 569791196.3 606283106.5 738574358.9 957546659.4 780799386.4 711798876.5 493652609.1 588747033.1 499329560.3 767162122.7 1011570483 875335876.1 583608196.1 582676125.3 811416807.5 556156150.1 603363011.1 761937240.5 650311745.2 633574044.7 544920916.3 504331061.5 5470364.83 976760.1762 464609029.7 463907600.8 682760694.2 621822743.5 851455280.5 797912977.8 739221644 615631643.1 578849106.7 745495477.2 709750041.5 717175224.6 716704653.8 742734696.5 639350862.3 642882493.7 720292633.7 944445504.2 535456213.9 474880430.9 724818759.7 638811360.1 758609919.5 678721528.6 674662327.3 757443931 488681010.7 886411577.2 605855130.8 647860590.7 623609647.9 736533733.7 701698900.1 577387243.1 525389644.5 576779996.5 559638073.9 775260401 719831459.5 720120263.2 924958246.6 722898876.8 622798773 860362643.8 735327762.4 822174671.7 773298240.8 936082874 609888193.1 579583511.8 747604994.8 758248529.1 591033382 584659644.5 948326085.5 823048787.5 854678686.5 874116659.5 646203086.7 796326031.6 770662109.9 756806175.2 744764526.6 813575708.6 761074821.5 1088405481 725471555 791191850.7 611133446.3 567238235.5 691151450.1 623383892.7 652080061.7 833157472.5 1317996.004 456883.335 287834.2383 310500.2597 288633.2153 (R)-3-Hydroxybutanoate 63210.44437 195735.8722 91402.64163 89483.04887 252869.5626 126750.4149 183385.6041 177205.9625 120776.4311 93318.34376 158556.8802 292190.4703 126749.0914 138600.8732 449871.1577 136072.7322 157564.6507 131827.6675 699115.8281 151140.6857 116441.6761 105319.6169 149808.9585 240919.0297 98497.67066 93259.68095 111978.2831 359601.8859 268069.3251 115811.1491 129721.5065 124896.0327 167706.4058 141122.1138 154513.9093 117371.3737 122090.5996 257502.412 703971.1569 142728.2178 135706.5662 126482.8401 256496.7593 132459.3415 119206.0305 137216.4755 126631.4502 134826.3966 104746.0275 111073.0943 141529.2045 212923.2803 1314939.396 104326.9432 352983.8821 169401.3191 183844.843 1336982.506 145197.2515 138076.9933 154511.0403 380650.976 154738.3687 127355.5546 114018.2321 317951.1268 118528.6784 174700.0823 145221.3545 326593.1503 345694.1244 93096.98331 119489.6026 163656.133 960769.1956 164789.6046 121831.0004 97964.65075 112599.7189 127890.1359 172780.8579 117170.7686 192207.8539 247580.7981 118062.4014 153676.0889 689285.4317 155202.1953 148693.9857 134329.3152 8539525.103 165036.4249 180401.2394 96009.88462 111886.0429 85884.54434 71617.60378 97549.80214 100360.3844 168527.268 76726.41649 816921.0277 149328.4712 147480.2798 145421.8925 132440.6427 161187.3534 133754.4314 1067284.748 185701.9592 126912.6519 119324.7502 143356.4178 942280.5561 139986.2256 99422.70069 106569.9349 2402892.614 335741.3324 157964.1783 95570.75496 156617.1886 175222.4002 116913.5346 168529.7074 466158.0314 154178.3293 173210.3352 159253.4038 261667.9489 148176.8637 391118.3339 107184.1959 117166.7912 85689.67433 168730.7269 99450.06294 850542.4401 167088.0832 105242.771 202073.9119 114434.4871 902330.4293 361459.6611 138604.0434 138030.103 430754.8215 368453.5897 2213376.152 100298.671 119992.9736 100368.6715 179937.0974 161497.127 187758.7833 97960.86595 101002.579 101596.9956 111285.2043 159014.6111 158294.6148 133714.8011 187810.3403 174904.3032 171424.8782 654583.4179 138927.9641 164445.5594 152100.9293 152104.8964 260200.5063 85150.70351 89567.3683 80384.55493 79852.91392 81570.15293 (R)-Norcoclaurine 169065.1223 1396063.283 862898.6968 878556.0365 156977.7362 255722.9385 233777.8294 206078.7618 282679.34 6450381.957 430808.5805 3442291.395 1688807.346 3660909.302 202282.8537 6071947.045 971633.5691 5621336.419 2227398.636 155298.6756 3576095.47 7255070.716 172583.2794 331466.6129 189110.7141 800968.0628 1269680.63 681338.4369 226479.6762 2175600.057 11501393.16 2342736.779 530675.1739 194316.2986 159048.1037 2662845.899 521497.5845 191667.0332 183225.1554 2659876.863 8715093.655 222302.1407 263904.2444 191986.3109 168336.7138 320241.4714 1243577.231 189380.7532 809288.8209 737621.3002 2030205.451 430564.6466 194227.956 4602739.366 251084.5972 450169.3657 230156.8894 225083.9072 152704.0719 4956687.527 3121584.287 2409014.139 1922834.592 206649.7044 15060738.51 5151366.793 210625.7485 3133043.039 198670.3296 195553.0173 173430.2343 687951.369 1016158.629 184465.7747 1508779.941 499627.1472 180272.3292 388056.5095 196360.6471 172737.1982 180764.5414 2289373.262 170759.5961 209001.3495 3433947.258 173049.0528 166935.7108 5695138.94 215568.4554 190872.0363 229580.8522 201195.9097 205638.1652 687282.7929 814570.0412 210757.8656 214509.2811 376353.9561 1323300.537 187295.2469 1038458.383 211491.3628 2097833.164 159015.0328 1431903.175 836563.9344 316145.3072 545188.2032 158576.1581 316401.6231 745473.1134 4279741.961 886780.4585 161135.916 1974733.515 571151.8385 581298.13 566291.5291 171088.7917 201355.3431 177127.7772 189171.7554 1583893.561 211709.0536 2740935.25 8580943.796 2003596.68 271821.401 575025.4895 453722.7177 1096485.875 199648.7213 733595.9967 1333868.604 468801.827 2558248.231 4842670.382 208190.1082 1946522.899 11455021.89 4339018.599 1808514.927 167532.3712 638297.543 5818345.997 272095.6442 171421.1206 186710.6132 195484.0135 628611.6467 1365312.165 672139.7159 191138.8607 184498.7673 189730.2902 160101.905 1894793.129 765691.0569 4480023.55 168715.1761 612604.819 2186824.936 1762970.525 711944.5565 3792841.366 373088.0396 209308.4185 479932.4646 904775.4413 435933.921 1807529.382 179836.0877 181471.5088 206374.7536 207688.5066 185873.366 (R)(-)-Allantoin 173026.0884 2146444.134 4958167.529 5698764.847 601142.5827 1340088.841 1212472.429 3108841.474 1238974.096 1189341.362 1478339.315 819934.568 982035.6313 1630835.004 2621392.512 2604505.752 3093568.214 4162614.603 1348003.597 1326303.274 699812.3712 983986.4487 3935130.627 2413564.313 1836060.899 6104601.786 7392519.952 3342105.667 2224166.817 2021528.233 4234287.552 2539383.681 2122243.416 9137957.554 1820014.848 2640829.659 2215835.459 2223736.072 1977376.015 2339846.746 2143566.75 1791286.179 2329794.227 2117926.508 1417480.363 2616269.39 2188041.631 1194178.235 7121607.519 7648136.423 1251128.618 2094982.645 1460854.988 3286705.667 2058705.376 4893674.116 4077259.365 3743454.193 1690249.869 2909226.624 2602011.692 3913898.595 5444471.23 1354630.817 2622176.119 2661910.711 2716389.976 5401645.385 3123773.055 2221882.523 3269666.32 7014081.394 10333496.21 2880681.288 2433652.229 3794069.089 4984941.65 4116485.77 2587258.559 2678644.836 1855764.762 1263788.213 3634767.635 8594544.102 3655573.853 3136807.381 2389916.021 1878047.122 2015395.856 7255861.329 5368623.642 3117167.73 7554797.701 8446476.506 8657456.758 130713.0142 154294.6704 8854714.863 9685602.143 2645216.345 2022776.98 1431148.58 2917161.807 7837777.278 2509095.833 9152538.426 2660959.016 2218544.963 2053934.826 2263266.301 1574710.544 3883738.95 4738751.582 2587959.471 3268782.201 9774819.833 9673924.121 2594352.159 2672028.466 1931718.966 3354237.506 25996977.51 2830332.742 1138209.987 7688028.897 1067789.023 2869113.058 2122701.364 2906246.607 2514291.362 4347403.132 1113897.185 12714625.06 14080398.82 4801349.316 3407828.575 5721950.118 3103711.684 4445634.12 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7049408.067 1985281.011 1850785.14 2574970.207 3060171.679 2883177.331 4844795.493 3801302.667 2267268.056 3287048.646 4537893.559 1974449.057 5987910.999 8168156.208 2972809.972 1132497.926 2035876.508 7274613.096 1669973.823 2801704.116 2488483.851 3154180.162 5350143.799 1298615.617 3883794.37 1520633.621 2223651.513 1485089.39 2532478.221 3475873.097 5730756.736 3213284.535 3030985.492 3127791.738 2473833.568 1521855.964 2618590.73 3360130.11 1457685.789 3185433.646 3570920.232 4382973.396 101437.4181 95011.89279 103898.1069 105891.2277 89922.14843 (S)-4-Amino-5-oxopentanoate 474935.1064 124262286.4 123679897.3 128342352 176975304.3 74204273.13 107958039.3 130873650.6 91405209.96 194069707.6 202977783.3 64428725.58 165052727.5 66243886.45 181977944.4 48623917.34 206510822.9 98786385.14 135765357.3 244384892.7 1678488809 162094713.8 62960300.36 127118030.2 147595479.2 129283477 143065438.3 226930712.1 406094803.8 154036614.1 208959714.6 121513781.1 173299218.6 319326296.3 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24491248.65 33978544.4 6128799.34 10468788.64 28964263.35 5383732.827 4844010.618 6908633.363 11661118.26 8353385.277 16030430.79 5599878.094 23011263.43 9588223.6 26941427.74 11496447.75 19355360.74 2315324.936 12395422.11 8898825.436 6840942.494 129491.0939 3700318.958 4885667.168 8542576.731 14623342.48 10262149.85 28980849.64 28241163.73 7582847.374 2115075.701 30719788.97 7925409.784 14810620.85 8501749.36 15245292 86806.47795 21678422.24 7965983.389 25903129.16 16959392.25 4660011.847 60298848.73 6500302.01 5275764.547 24036458.17 20734120.53 689443.3819 14857313.17 34735607.35 2532511.299 15088072.73 265026.2194 19850062.13 7584629.524 8179405.81 16684018.7 57674264.21 14312690.43 6966044.434 16191136.2 22517109.94 20486097.77 6607766.971 26711072.82 11673901.68 17494257.11 378952.7529 188882.1806 3330959.056 7885148.044 11280653.94 390314544.4 106146279.3 72464454.55 29963099.54 13125212.41 9144395.079 16251125.38 141391.4934 131811.1389 8860920.498 18295264.97 23052894.72 5442790.804 2409349.424 49695047.27 16323848.24 14301307.42 34715612.46 1485450.625 8152559.562 5800472.007 16548680.66 59873214.77 53209563.18 18630165.08 5997105.264 6048647.736 11516503.65 18013751.59 127243.563 6503493.584 7778157.925 14010219.59 8023687.362 7021184.802 25406959.67 26946962.4 5135603.455 10365164.19 10372246.56 7825182.763 3928961.467 11108725.91 1571705.157 9969577.551 19259744.4 4743236.757 31374891.74 22024244.62 12074096.7 7600869.147 5842503.671 11711634.56 8364072.391 11700898.11 27929069.87 64064657.13 87027629.7 14819790.24 1239285.025 4643855.653 11624867.9 23109994.61 24777886.75 182852.3555 11140212.93 8524151.001 16897387.39 332146.3291 15934816.24 26796414.97 9794143.665 15012463.26 6677524.928 8877842.591 13022898.4 23725520.63 10113804.05 9684624.188 9537461.81 11791502.38 20280016.79 17167995.89 116355.6113 115644.7917 138069.0163 124810.2127 120339.1999 [FA(16:2)]N-hexadecyl-ethanolamine 311688.4331 794645.5351 13391185.07 10275755.21 1070876.497 1337404.041 920252.2966 1307107.236 775117.9408 621284.8064 1351613.913 735476.6103 674083.5737 663702.4516 625818.0453 985511.863 626626.7823 1537969.042 524156.6648 890520.8913 367334.5638 567530.6291 791629.2875 717710.0902 467830.4 13669324.26 11556994.84 958371.6089 826617.1656 641263.1398 999962.8804 870039.3254 802183.5651 1173938.088 1330231.07 882999.6852 1080191.516 878484.7127 589716.4441 1053389.691 1183187.083 595498.5064 824498.699 1149223.82 567792.3041 824336.4893 755282.224 419170.6613 16282164.1 12299339.39 424946.4063 943083.7594 2155570.577 317831.7616 767891.8467 1388648.73 1313939.891 912977.4725 652250.3579 865350.5548 924594.5417 1070593.519 1750449.207 621680.0093 1326365.504 1654660.792 997410.3847 1134609.602 571975.9216 1484936.926 865145.0428 16943703 13385052.73 1077557.981 698390.7908 867270.6053 1013181.164 846410.1204 760381.7979 2218198.366 1095272.233 988643.0648 946426.4175 3646457.335 1193049.045 590745.8644 946727.3405 303410.4885 1005298.548 1678581.07 1065449.356 395855.6598 1123852.784 15226996.48 11189244.79 334629.3415 695156.1973 16051728.72 11583333.96 1021658.799 950273.6978 1218523.39 924686.6011 1513213.976 522055.5502 1959479.909 1467826.654 796890.8666 527532.7496 507225.7208 1023133.291 421562.2307 1184803.769 1720718.917 429138.118 18038777.25 12664196.57 1237566.385 846428.1581 1709756.802 1086451.178 1513852.163 381279.3302 1285511.04 791836.127 394286.07 417846.5318 531343.2155 1340268.844 826702.8378 407213.5002 597215.3451 12773708.25 10224985.07 1014360.258 1055916.197 737395.5281 1113367.989 1189068.007 2712201.453 236499.5508 1315759.685 756713.7584 2325283.786 755867.3752 351481.6673 2860883.507 1386222.251 317453.2502 11376517.39 8940842.191 4441442.697 400613.1463 1168573.729 596581.8706 249774.5392 856751.4181 797650.299 637786.4532 413215.5446 2472151.471 323891.6758 269405.8435 868530.9127 1173873.636 1056208.918 773753.0592 1085351.194 21553856.67 13870793.4 2197111.852 467514.0799 646945.2901 676213.4407 591827.5086 208488.6708 [FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid 141395.0485 27355122.3 16620875.54 24074870.92 1495834.691 770919.0841 6658248.182 2554382.114 1093330.353 12992389.41 17728859.07 1331336.917 1217955.763 4442969.018 218045077.1 1968938.816 22953881.73 2409674.207 64113301.46 6122289.543 5909343.494 66639747.55 30271110.05 3241903.586 23910298.17 17546783.88 26211099.75 5070695.503 2520488.632 5472413.201 4607267.867 4451852.841 11599957.81 2556900.865 1736445.551 3507320.862 13026220.88 334664.3415 73162705.46 3067891.546 916321.1775 4314426.565 2382418.749 515492.3614 7721666.276 9122270.164 9626008.123 1359707.636 14507689.46 24027985.84 33376857.28 1155730.911 276043.2966 26966948.54 100019.8213 5555265.895 99358968.06 7337200.156 101754205.6 10560073.05 3923505.691 360256.4609 5928033.137 1312018.992 3073884.988 3821839.942 4985941.466 6419178.334 295079.8466 50437966.83 350071.0818 9837016.644 15723116.28 339847.8701 625664.8048 7712310.391 2126556.349 9799444.403 4460947.989 1449528.513 9114931.479 4561386.958 1177239.051 1266697.178 3253448.608 2604395.573 3787304.464 1028999.256 63617601.14 5435878.852 234628.7828 17814952.79 595034.2746 7297383.868 12051080.05 139316.0793 147506.9319 10309327.3 17826361.21 36902937.74 204671.0962 4239595.608 5369196.329 1607280.666 30813867.04 894223.1915 9663358.243 26564478.72 4053084.98 6453985.036 3870320.201 2223305.015 4569098.558 111809131.8 3304916.463 7451710.617 11264718.86 3588903.527 116766492.5 19007593.18 5715121.699 29384811.46 545726.5147 652386.601 1627648.063 22301939.96 4670657.444 1971216.794 28518681.29 4400117.84 241601.7155 407061.0396 7366145.389 11379271.33 48711530.33 13562227.03 312162.4924 3171742.581 1611385.724 3948572.211 2189211.774 4087504.054 15731886.01 4095226.306 630124.6421 6982244.456 4727219.395 1969510.173 1992296.22 8584852.007 12283519.8 1172937.54 4410070.931 1698835.924 9628251.914 4369998.505 1516362.648 16061095.81 2189515.566 1483067.971 3747139.535 13460882.83 1338594.492 4497521.752 7608865.05 6095747.198 977887.6384 3373219.047 10938080.21 15485817.35 17152402.97 155651.9783 135111.1383 129193.9017 121498.2196 122247.1328 [Similar to: Glycyl-L-leucine; ΔMass: -57.1202 Da] 86910248.1 953101803.4 820993409.7 781586283.1 893798903 852510134.1 970030634.3 991551595.1 1003550350 922321937.8 974790580.7 915137749.6 956798459.1 937438060.2 989941744.3 977457149.2 934836204.7 943086100.2 890965508.6 962944697.8 994637462.5 976337852.6 921317045.5 957011748.1 949101842.6 814949489.1 808815393.2 978412372.8 958900497.4 900703245.9 1003348743 955931565.2 997415850.6 999532259 926868711.5 904854265.7 987438516.8 926333025.5 954467928.5 949473983.5 1003162790 971887843.4 983047005.1 990486037.9 948787264.8 991769655 970976654.1 1001681170 845007624.4 799244313.9 982731037 960323007.9 888733004.3 971668362.4 963593073 968068349.9 987550349.5 933840514.3 976906044.1 962060814.1 1039309450 912351988.1 940357268.3 985702932.2 1006415667 1030489715 976924652.6 992213316.6 955888227.3 999344731.8 972876157.5 854610743.4 864224937.5 940884806.1 1007235409 1040111983 954229015.5 1019867636 958247714.2 1017233660 1019598383 1057680166 1005182113 1029565663 973092008.6 1027057789 994218712.4 996864269.4 1014191616 951411978.4 1025767773 1010380861 1049895865 889971286.3 826575549.7 32179746.41 34916460.29 803403269.6 796056924.1 1075773720 979975501.2 1001243286 1068358646 1007304497 986775598.7 962433302.3 1104464310 956508745.1 1023334465 1032046971 948248161.5 1072220087 995783604.9 986433491.7 1084255434 939696742.5 827706774.2 974127065.3 1080589217 1083473797 1005646131 960066992.3 1025927613 968649547 1010912596 1009595950 1098941925 1027725916 1008529246 1065619422 928075673.9 974876325.3 933981606.2 882157012.9 1124050996 1126373276 1089094040 1115544042 1120814312 1100553919 1093038258 1084564205 1149722578 1055519142 1099047666 993605049.4 1111864802 1096863967 1061978265 951921948.2 919793205.7 1138693230 951544850.6 1084877902 1079882449 1158148559 1039379728 1034340673 1054308455 1033199888 1059282505 1150149622 1162780318 1122983979 1015953970 1021065703 1025766261 943503229.9 976235875.1 936553495.9 1203019181 33638905.45 54646355.06 32457927.03 32540007.31 33153909.23 1_8-Diazacyclotetradecane-2_9-dione 111539.7789 1036925.737 188461.5371 145026.491 644424.3346 115794.3711 625167.2284 305799.6238 209930.3475 348459.4675 175108.0865 548015.5861 230971.7899 108317.0218 1993600.878 349650.2282 1443015.834 134613.2798 1230908.6 688717.3781 141605.2949 125202.9862 452051.1353 1184278.83 444348.7336 117388.4868 168682.4384 902844.0187 1024883.84 256676.6734 223848.4287 578409.9577 246011.41 123657.4088 1106266.678 114153.9114 176358.0037 2195074.556 1236462.005 171217.7601 533953.7367 802475.2238 801823.3969 752089.3573 235487.1867 139570.0396 478918.1283 536249.1925 119270.5381 104900.2076 113815.8609 945544.2517 1258420.402 1145372.83 1539138.748 402328.7971 1654869.689 1520118.769 268762.8636 128890.6434 673045.9706 1802738.438 1083136.433 255238.9368 109342.2136 1418925.49 1426546.599 306428.5472 108270.5626 1066845.911 1670914.318 121312.7435 180076.3166 200254.3535 3049245.672 202037.8347 432347.5504 623193.2546 413034.3999 185168.24 479322.816 134061.2252 181916.9416 177663.8219 388633.9188 652966.5402 2157716.662 372037.2778 721220.5657 113914.5361 5597991.516 341418.4845 1378049.471 141844.0246 158739.2983 105044.9313 98948.31242 88503.96614 167874.2842 113811.1844 143753.1325 1473822.93 134440.8473 133960.8611 112569.1064 296675.4136 283963.0775 145469.8642 1300677.615 138422.6557 307966.6217 316568.0436 316322.7075 2388446.919 533441.2411 178109.0961 229897.2232 2710660.364 786310.3619 362258.0409 188905.4884 158138.9541 3708454.547 109271.6141 331179.9909 1056299.942 924921.9839 239224.1557 118574.1415 888399.5619 166370.2984 309510.3082 101894.9694 212620.89 198047.5089 748143.981 183387.3178 2295389.913 111255.9784 145308.423 351433.2062 264986.0979 1683450.288 447180.8038 113414.98 214872.8766 879018.9637 1282919.705 3286282.784 111337.583 202353.5672 154389.5154 236420.1212 154471.8188 197792.9196 106935.7756 260148.2221 906467.4581 2028854.678 174802.9119 708790.981 203254.5962 395824.6918 122508.7845 139032.4104 793412.1514 1778330.473 121146.4138 113940.3862 207448.5019 1722704.538 118224.4082 116041.4876 111497.0617 110690.3891 118143.9963 1-Aminocyclohexanecarboxylic Acid1 316926.3691 1179433615 1600447728 1854011676 29714616.43 186833755.1 1319883284 1563291254 1049717327 634117963.5 253430466.3 1679039890 742033318.3 480405350.1 1260984506 89422506.54 248022962.2 4374617422 26159566.47 549642655.9 18559243.92 450097556.5 159845641 167218812.6 162212056.2 1548916961 1859302294 51460113.47 305127191.5 664130449.4 107180490.4 169504561.7 195215625.1 471416213 154213099.7 1480005847 2517773771 216856438.5 80879968.79 833131105.4 2956307574 142937079.3 307247543.8 1640222113 183802253.8 2494155094 1224670380 1650099865 1373443771 1672345715 71859292.63 625026208.6 964011305.1 50510696.73 36462911.46 752186637.4 158611150.3 264569720 84143389.67 883054539.8 943501557.3 43642354.11 74909355.34 808729088.5 754644034.4 251162831 72322249.04 342607885.1 24913823.19 73675176.43 535739347.5 1213682754 1452263276 79262307.54 243643785 214162059.7 615781752.4 221699755.5 513947989.4 73529272.61 2714194548 913955545.5 149644829.6 101399284.8 754202044.2 38332402.41 498531656.2 412699718.5 1219407527 865954461.7 1254456470 1450369931 208291708.6 1206583409 1323095146 716962.9095 446447.65 1166416723 1404954315 1684502672 3290823055 1053158984 161867531.8 80562784.97 121745869.6 1730933416 1363609568 384549819 1906018559 2320355916 96578170 1859114747 74971426.51 29291389.06 224593867.9 1283573675 1357348278 178755634.4 1044634622 285422970.7 1702065354 347484635.1 1180516020 147342348 94011466.41 528932083.3 2230083309 94131976.1 667318586.2 1841893444 201824387.8 913301416.5 1316837164 1417688835 1639217869 943236321.2 2624066276 100397795.5 566766051 1854647402 216257894.5 1462280205 1531732879 798837807.8 45258373.13 1303052195 1100249487 235720748.3 342243387.4 1332779153 1595219932 3535189686 24376031.94 2254959940 53921726.18 1218046726 502510794.5 300785885.5 1041623471 677808787.6 54018613.07 1602767931 1272591073 317495703.2 73479391.93 1545684931 42564831.54 745969073.6 1527212616 1709765100 1163430196 1183697.206 518683.351 397592.3592 1075862.832 936637.4804 1-Cyclohexyl-2-azetidinecarboxylic acid 119897.516 222591.2981 198855.5349 410006.9321 243441.8967 292162.2102 1034692.896 6861076.911 396320.6618 209571.2311 1864870.747 1751272.124 368146.0312 520577.9512 2361769.49 430672.4683 250310.965 6371250.693 286868.2042 232833.1542 9621511.609 2232865.004 603590.1808 295201.9908 637429.0835 181888.2875 201771.0389 159531.8523 237584.3647 274403.9658 213607.3525 386966.3536 211581.4076 809304.2358 240381.8758 994303.0692 240929.7646 266972.4747 281688.5963 475781.1497 1633536.061 233655.7299 950733.3722 242338.2031 539662.7006 241576.7388 371766.5734 272439.4946 205108.6715 277758.7993 216016.6501 883029.4883 256049.4921 3070661.877 233112.508 269788.3894 285575.5572 291033.1865 263750.5722 13367278.29 1857612.743 280969.6095 5694678.409 1072272.331 191104.92 894862.2004 246881.84 1616592.811 228200.829 256951.2448 356536.1212 282101.7486 186478.9189 244876.578 742070.1507 16504474.64 426915.8173 461327.1246 574552.0648 210055.1799 515406.11 9712468.954 950276.0519 1570060.081 360358.4733 1192044.468 253962.1533 11404118.53 354721.6267 300351.24 259803.1603 1084421.406 217211.7235 237181.7388 190175.7758 98361.63705 112037.1944 160109.6793 252728.5912 226703.4926 287163.4957 247636.3168 212060.2654 223916.4907 210812.6299 2553467.12 202578.9561 1658029.608 322677.0813 585453.3959 530552.454 528397.2604 3093307.7 239832.6194 2530421.268 200697.9782 366842.4511 335673.5031 4209138.921 396455.5302 225928.616 368876.9686 328525.617 1776786.106 215722.0772 1536668.172 191510.9296 1846106.381 338070.7423 359019.3061 393994.5915 1450163.982 180693.0986 238640.1015 241227.4049 703679.0389 212821.8555 248884.2895 1432640.382 1357443.205 484339.6756 283242.1094 1265101.205 257252.1668 242823.8538 531343.2119 271979.1586 259753.4087 890571.1599 362068.3142 946976.2184 1574051.774 224917.8594 324322.1018 630923.8523 1198033.56 502399.5617 234648.677 314404.4709 7909740.146 381342.8912 719701.4355 3234490.398 844047.5358 273354.4747 334149.7113 218782.2504 222604.8956 185899.5023 188739.247 403099.4296 108516.9644 96719.67743 97991.42522 113758.738 114376.2346 1-Deoxy-D-glucitol 91831.50595 2401752.277 2482279.013 2531730.539 2815813.255 2798364.689 1750985.491 3365708.402 1940665.529 2164847.274 3123926.967 2603270.911 2598261.71 3651558.402 2148153.57 3429309.289 2465307.527 3728560.383 1433509.037 2688342.937 3078008.925 2826133.229 3145035.343 3706274.394 2763469.378 2710265.726 2854433.062 2202542.244 2229651.883 3021337.096 4629828.24 2598068.472 3008122.963 3190589.484 3459572.185 3287927.879 2662192.61 3233426.062 2817135.456 3209925.46 2660330.277 2228759.288 2362326.395 3755286.2 2591535.69 3522369.95 3043818.839 3326595.197 2994131.312 2738444.348 3328488.674 2218569.988 2431868.047 2793428.178 2183949.425 3819037.005 3985530.563 3128048.736 3041681.777 3555909.762 3331609.889 3092537.957 4517549.602 2590369.768 3563300.141 2091932.76 3453281.647 3576368.429 3876753.471 3129432.242 2689155.01 3080987.123 3218702.362 3947975.884 2759283.399 2636345.956 4810979.82 3864633.424 3207369.709 2803689.58 1786873.226 3431032.861 3420979.84 5066243.796 4020768.793 1810530.428 2772416.213 3059591.848 3527286.149 3182243.365 2352251.948 3627217.231 2548980.244 3284692.314 3136966.423 105086.0236 81937.93258 3022410.225 2864865.266 4094416.864 3117862.413 3206174.422 3632827.939 3443703.562 3673340.449 2936213.587 3172638.09 2644333.377 2834806.94 4111398.753 5079367.976 4143870.08 2845921.652 2298826.922 3225834.192 4331495.476 3461351.558 3263275.274 3740505.687 2996933.275 3245439.312 3743064.49 4421222.653 2818413.57 4417188.577 3052984.309 3047444.372 3286189.213 3543704.144 3864854.864 3633767.966 4361494.807 3996730.555 3723109.722 672624.9318 4808495.557 4200753.641 3207135.096 3717501.251 4445459.928 3363672.356 4194299.219 4097329.445 2843003.7 5641174.222 3232737.54 3193410.245 3963948.615 3345077.426 3898552.249 4056101.558 4981461.975 4412988.819 4105940.26 4287849.518 3346105.793 4044118.561 4671827.859 4264919.546 3285502.568 3505746.907 4370177.732 3765124.909 3974051.986 3579970.938 3594433.556 3418450.613 3804133.734 4230975.517 4254884.827 4465045.312 87669.48295 97391.83394 92620.53214 96835.77183 96132.43109 1-Methylxanthine 376667.8878 13209874.31 6597813.423 12084036.66 4783350.211 23667774.83 2222858.26 53157256.75 6025216.201 5909811.473 15877469.84 8907921.935 16608946.66 678269.0152 17444355.61 10810599.89 38051276.73 58909540.06 6243362.136 21750048.73 714767.653 25868101.15 27434550.82 6225407.362 25695270.5 7267796.666 14659712.11 531925.1903 4208116.586 4185282.627 5920428.342 13447681.19 48506547.59 28017149.08 9716947.025 14824889.53 6681919.416 62600271.84 45943377.83 12229164.79 1940454.931 30536579.96 23515941.18 7815599.828 9960883.622 645662.05 584194.2982 21373134.38 8059400.043 14365034.66 6917776.58 6052708.265 3427965.694 51402022.31 1479353.321 12352010.46 1547284.91 29920165.04 9239461.711 4207943.076 24533009.97 1214721.471 27505369.71 736816.1255 11012402.69 3784171.247 3213458.007 17934090.05 15083338.35 25311451.64 23514280.33 8153549.763 16446031.19 2759313.712 6669796.484 13829060.49 5681801.223 16079020.61 5186989.799 23605601.15 11509942.51 613860.9972 29533606.6 11803551.98 11297568.31 4457342.59 24499170.4 7522236.145 61945464.53 16010502.88 23968169.79 9251324.334 560730.7299 8506837.98 14923204.8 352375.3669 310825.9007 7620074.295 14031573.02 21272757.64 383752.9972 355170.8843 27859150.86 21682796.58 4494937.319 581470.728 65115262.92 18155650.28 2238509.469 30427244.37 4387988.205 35615532.84 1737369.227 7787094.326 26271030.13 10313728.95 16252479.84 71317219.77 13671455.97 17167562.65 13522304.89 27464224.14 41834891.97 8718492.848 39543701.17 8258893.797 20819166.27 4615725.636 26340599.59 3064107.318 16873876.47 3482533.761 9420772.123 16140033.03 5426888.005 618050.4607 5735505.424 17184092.85 36098592.07 16968053.64 5986316.096 6408899.807 38512534.65 10009376.36 3831903.001 7886926.637 967188.3778 115245098.2 18490652.85 9458767.945 18214441.66 5907118.926 29388061.27 8978780.234 65210510.15 17996155.33 15745401.46 17188650.19 30353612.58 728345.1558 24410617.56 23989743.18 10682988.12 11076412.9 14111481.1 17277699.54 3272136.056 3967399.769 8400800.52 19995642.92 21914388.97 320478.6666 326211.1381 381978.6371 314358.5729 382846.8591 1-Nitrosopiperidine 403742.2968 16143202.66 23482545.1 22229090.99 14870120.84 20475960.46 21119002.67 37343247.76 21112277.42 20732256.03 25427114.3 18619887.7 16921214.64 23198915.19 25420994.09 35298391.57 39501001.63 32937866.45 20284620.89 32690175.06 32858897.02 21196118.01 28125280.97 24982627.98 29459947.52 24207343.58 24522062.63 16121277.16 25326566.21 26536344.98 50639089.6 35903793.93 30723496.62 28393882.04 41554071.17 23077455.19 29484023.56 17495479.72 22356690.35 28844275.44 34425527.39 16323258.76 21184275.99 19686624.28 18784218.97 23593766.66 22538039.59 20507104.98 25409192.07 25271860.18 27599358.02 38056225.67 20759719.46 38606641.17 20643987.97 41816072.02 40519698.66 17299605.14 25216702.52 27569359 35504438.51 24338309.95 39119222.45 18968760.7 23645555.76 34523332.82 27416330.01 28788310.91 26146154.81 34044477.55 24192716.88 30943898.25 32578033.83 24134561.2 23507424.71 35152878.05 26539380.81 23406044.4 17935566.44 26042352.35 24265157.37 26642678.87 25239437.67 37052660.26 32254254 17708981.76 17373634.94 33643039.11 28337092 22187246.64 27708107.43 36606415.94 21262500.87 33860247.5 30793074.28 1260756.689 631654.8629 29176851.06 28296972.11 26816562.14 26908174.97 26539683.33 35459384.73 26411695.53 17080462.32 40770700.82 35078826.1 24748537.57 19465089.24 22148604.32 27981464.5 23730868.67 27260275.64 27682646.04 32332887.33 34099506.17 28805855.55 30166575.76 22881087.42 26138758.65 29087841.28 25485718.61 19987028.28 18871455.56 41030109.7 20572357.67 19268054.36 19424789.13 38389014.31 26190319 26606434.69 18409734.37 37228331.07 34170722.4 25828907.78 39304433.14 25496524.51 46121688.42 25119088.06 20168007.11 27467952 26509824.91 39841762.84 38677678.23 37635892.94 26684467.56 32048783.4 29096380.69 27107643.92 39178431.57 35812464.21 53428292.93 24830815.62 35210876.41 35488790.76 20300396.8 30360844.06 30018386.36 38698085.38 27799428.44 33427099.6 37696470.63 42216939.26 28362253.49 32977488.94 33011463.44 15750491.09 22139551.66 40568445.91 40116811.39 38993379.35 1189739.364 668939.1108 576051.5804 556073.1565 284479.7755 1-Palmitoylglycerophosphocholine 674450.1208 4410040645 7522817782 7836233775 3687437937 2830547782 4137155391 4024150338 3649523618 3368718823 3902826992 3176591094 3503175921 3381974002 4695265388 4058718575 3527040881 3464329310 2801617870 4313600077 3859712327 3549556997 3782906354 2958169424 4719680278 8176216431 8604927295 3619962090 3320976610 3403909294 4293803995 4068205646 4231223425 2887998916 2588327549 3686656388 4086869719 2589489437 3160280170 3090500471 3634806036 3822899946 4110902054 2864224299 3952404616 4971740419 3284276298 4568713854 8369976376 8375680934 4041764234 4945353839 3310199297 3952850650 4427225523 4550534388 4299054892 4852611088 4906390195 4763596775 4573016623 3224121934 3418179314 3843335870 3248004909 5605436155 3697735702 3493721608 3832802955 5102895057 3638266097 7822855388 8738446197 3521646646 3191322336 3723969612 3845045837 4092321400 4185503961 4449307532 3441488724 4103436877 3958333652 3686523318 3599837112 4718744360 3036920954 4090575216 4019376427 4631140434 3851489886 4879383664 4019786299 8068560231 7809430138 1199209.889 405588.8138 7720426685 7915358112 4660463933 4777940185 5045089849 4974325490 4444848475 2972171811 3843850237 4340439175 3414691687 3015045072 4013537028 4206851081 3985542470 3328497873 3353310523 3869171547 8832062149 8094693482 4394739799 3684130282 4634436621 4121596688 3317949470 2834393351 4560301812 3675280514 5687307479 4446224600 4935862208 3854448089 3899020725 4045799859 2304018957 8269347715 8070788792 4095915479 5685689451 4513054992 4482379154 4037982965 4103655609 2834028360 4033832584 4043567718 4247807992 3490636973 4919971380 4472007019 3878448423 3794452565 8299653977 8835078300 4762524437 4476476490 2906057310 3269559875 4411772777 3531181980 4218319315 3712067094 4773294686 4580062902 5535508770 3344885332 3046400075 3020814402 4769898597 3796536522 3908011839 7920701688 9822956503 4611770716 1195513.524 434598.725 292804.6544 153655.1281 306711.6099 1-Pyrroline-4-hydroxy-2-carboxylate1 318735.2477 34207375.55 127613097.6 158526749.9 31305738.29 55580688.34 16893186.97 46743099.91 35163904.97 25438095.98 17384762.62 35441206.71 33090109.34 21597922.32 19329670.29 37586364.36 113287447.2 64616533.18 48530345.28 17677995.23 16725728.32 15575157.76 19750811.01 52695854.96 13032486.75 118518835.9 139490315.2 19271704.62 16713451.37 36514841.74 52007233.33 40126838.32 36684580.56 21982054.42 56487152.53 36311229.78 18949514.17 31081923.06 33091521.9 24024566.56 42465881.11 11457938.32 27049776.9 24910587.94 28892039.98 64811173.35 23563573.91 14286386.97 103189469.6 139264499.2 30070398.34 37188963.6 78551377.31 25392789.84 19557716.81 37496142.73 49501866.25 60581485.14 15570940.86 57834509.74 34797268 13613352.49 32876629.88 25168309.16 23972900.51 26574846.71 31330668.63 47455391.72 17248049.94 48440443.49 30628129.19 103072053.8 120424038.2 24130498.96 45109498.44 21677874.4 33835847 47987150.21 45694760.52 22772490.26 28492179.08 16030632.97 29110020.8 71435165.91 42430014.8 13548359.74 10484781.8 30806708.9 15722561.88 26094210.99 21070437.86 41875746.96 17336603.87 99415487.52 91324250.54 3984125.548 8918599.026 92227804.13 97483771.31 47749588.97 22775788.73 50080074.66 27215014.15 24537948.16 15151486.91 36202430.65 32410515.72 25914927.94 23913117.88 27852642.11 42576410.8 18072887.02 21050034.87 23104488 22909875.65 94281620.67 91055581.08 23720715.29 6651112.475 20758794.37 20044526.49 41844549.81 28185918.7 15823647.53 66871103.77 10540049.33 13137721.31 20083138.57 23034060.7 17818280.08 26670711.64 22551971.58 97507466.04 88268452.54 11753575.42 44355534.2 21614688.21 35147799.68 12688617.81 12264263.96 14893832.8 16845715.99 34332160.44 27919216.88 40093042.06 17509263.39 27788984.8 47885482.67 28504391.79 87363185.38 94772594.95 43224050.11 50016937.69 39415357.3 30235773.58 14090898.86 28183175.32 20552558.78 42682518.53 13973604.65 80567118.04 26920058.88 29955810.36 17639338.08 37315328.94 21274961.54 13880866.49 36454337.92 89828636.68 96595863.64 77286809.2 7747578.965 5827329.557 396745.8305 5446016.439 2757074.554 1-Pyrroline-4-hydroxy-2-carboxylate2 79150.8417 13980351.28 8554012.403 13011293.66 8407798.115 16338100.68 22981433.83 69600700.63 22866007.63 12383894.59 16340790.28 4987893.918 7664224.49 15124517.91 19493363.41 23745086.41 47598765.7 57786237.05 22541746.35 31986754.85 10636383.41 16889349.72 17577983.45 8195232.085 32317997.36 8273179.834 12269679.45 5370667.004 55136494.08 14572115.27 10878161.46 15957989.66 20266704.68 10856945.06 28783699.28 3993156.812 14186589.69 23320097.31 17366172.87 10039121.46 14192043.9 26514021 19494317.05 17506078.41 18682414.1 10392192.32 258384.9955 16184006.65 8015635.92 13500573.73 8672754.759 19723927.13 11743634.25 47320911.26 18712219.93 62253994.93 36348162.9 27956350.76 37310812.57 6171904.606 21919443.57 6950395.118 16886108.35 9096712.517 5310628.172 13601633.55 5029428.604 17399464.93 10403668.29 17269945.14 41127987.09 15654168.12 14757904.13 24952933.26 25688967.93 14885627.51 5251933.829 7284405.76 9138517.949 8310181.642 18585553.23 12582229.86 5287297.263 7262682.127 8001603.051 18398330.28 10239342.55 12656928.89 16412850.91 6716321.484 22263552.05 20633674.34 5722070.494 7609299.56 12136843.91 107542.8917 96352.08112 8512646.407 11162675.52 32007877.08 5371887.445 8009446.091 45776233.75 38556036.27 15949548.43 20091596.66 21842978.74 31549771.44 4837846.59 27231635.16 9460271.881 13261934.88 20394359.81 40153254.43 16000933.93 9685402.276 13673527.86 24681639.23 31007693.24 22480649.32 12619432.52 5481393.502 20178732.13 20054309.62 15880856.82 7608417.106 8280352.778 6856430.507 15263569.99 15781789.16 11195908.39 7332140.014 8181512.096 14129259.54 16075005.48 7718726.769 10949132.61 17903265.99 17142212.73 13737711.64 8971425.372 9016487.57 27120710.54 30569484.52 11175531.96 18505675.24 29542582.31 7585872.247 12021818.81 7521293.723 15152362.08 3487540.677 7276380.046 23283708.92 33056502.5 12868974.63 15588055.51 11267213.54 4867039.627 10021354.39 19305859.71 11984197.56 7743335.978 6908427.401 4261899.489 12066178.25 8973514.496 23821142.36 10405035.65 18813708.03 14294311.14 112926.2967 104167.0234 110072.8979 102427.8072 107240.2566 1(2H)-Isoquinolinone 493206.2843 21116991.65 23294945.4 22518065.82 28368096.63 25786917.76 16984209.5 21920250.41 23818586.09 19540974.49 26929283.13 24647230.46 31108818.67 45962135.87 25567735.58 34489626.98 14368510.59 26895289.32 13014076.16 30251343.56 35876727.62 30918486 35832398.76 30592979.65 35354411.52 25513639.05 26190696.47 26350678.25 16486644.11 26434335.99 43599425.16 28282461.43 33642242.16 34552766.82 36254019.24 40858225.8 26405113.56 29537043.93 24197913.76 33218570.67 31268888.32 27688180.44 30528958.41 38600533.54 32421102.39 46037011.69 31298067.92 42051861.07 28212548.62 24297098.88 34987859.67 27962569.03 36742737.13 27032391.88 25498662.9 37775828.38 37197123.68 25996348.24 37280601.78 54189697.7 36228166.49 32536334.3 26583945.24 31926452.62 35132909.57 25732033.75 31783244.92 27700019.47 38105972.01 39515084.91 23935904.17 28807357.47 28980511.78 36492214.95 25415213.92 39428539.34 47684094.73 29810339.96 40634887.28 31606540.98 23784358.83 37682919.11 31737382.47 39903333.22 36662420.04 23576798.75 27895053.91 30415099.12 36517804.13 36557217.57 21779763.46 45139921.09 28955782.69 29902587.66 28126253.8 528778.1962 266876.5082 25879592.35 25269963.84 31662874.85 33838795.09 35460402.5 30086429.06 35309313.47 37838832.27 21661321.79 39399311.88 32909529.67 30871818.02 25019354.33 37242009.6 40516413.5 28661660.94 16134808.75 33176259.48 34599093.85 26112738.48 38107439.11 35021967.95 32411582.12 29883964.16 31446986.63 34035871.28 30907558.49 44624935.37 33104694.42 36335312.82 35673462.59 34046911.53 45292430.05 34015632.31 30505199.87 28038034.02 26961764.49 40135326.6 49947862.56 38048491.16 31201854.35 32606391.68 40011181.4 34905030.61 42530914.55 38640392.22 34771373.2 38296264.9 30925485.51 35347967.2 42244848.16 30657116.55 32235368.22 28307822.26 43898778.8 37051126.88 33408816.69 35720282.72 43109875.82 29191422.15 43378541.78 37048780.37 40871570.98 31270099.95 33064452.01 30766296.25 34223922.59 33334351.37 25995803.76 35905090.65 38376733.7 29204734.47 29756937.87 30178469.47 232000.1764 368108.9179 284302.2623 404748.0921 182289.7428 13-keto-9Z-octadecenoic acid 695080.1078 5321014.355 7846528.186 5418944.707 569774.1121 4371148.753 3294929.891 7916920.744 928020.8679 1091609.597 4053311.043 5898631.136 1422526.513 596046.4026 2959553.579 9216132.074 6458280.087 2409716.809 523562.782 2958300.486 5186723.295 10092652.7 1987357.111 7240450.909 1621794.104 7756757.946 5286920.631 2490710.355 3422871.052 3116041.999 7199253.077 2080664.797 5194153.801 2263412.59 7263038.198 7764292.093 2482278.689 4164663.027 7678772.213 5305240.395 5867758.497 3249418.501 4554136.405 3882807.327 3504026.724 1786441.901 11140492.65 1371298.999 6264838.228 4881353.391 811278.4759 2771140.646 9986666.676 3099493.874 503320.8246 4629486.486 3465078.477 4245441.121 4985918.553 3933675.531 6542281.034 9146700.089 4726297.608 5936030.446 6302261.791 1835105.373 3037971.252 4326086.621 1976202.588 3612653.726 2739568.894 5287831.736 4152122.173 1803848.673 1808185.103 1328612.349 1670297.557 2907012.079 7618998.14 4422607.874 6723304.792 3417173.052 5372942.566 3057920.764 5826912.65 2931289.046 3515127.609 8026596.035 8734152.597 2810423.507 2400312.601 4532836.321 430786.6055 6192569.578 4508764.622 1199997.043 281453.9833 8517875.022 6248888.617 2893124.045 7111051.275 6794856.886 9149867.017 3500247.482 4044394.863 3346019.19 1027041.799 2008669.726 12283816.46 6970774.79 2273289.326 10493146.36 9327558.924 5341633.253 12067815.54 9414599.194 6478283.016 2267937.4 9870207.44 4125521.989 4609348.88 6168141.657 17760013.98 1056096.593 6339236.657 1371690.574 15134691.64 4891892.402 4085650.52 955441.6045 3905165.43 1103987.539 8637223.657 3707413.778 1024887.319 20644176.26 3052454.354 1048522.816 7165566.405 9339354.883 7930114.878 2607760.593 3767126.857 4143099.385 4006348.737 1495102.014 6960503.403 2868040.909 3850721.649 9239072.016 7149375.616 8276638.571 10219661.26 5032948.219 2993430.86 11998464.08 7392735.788 3600589.479 3916534.749 1952801.576 3871392.097 4424234.258 8456164.093 7448726.837 3573793.261 6631515.601 1993052.115 5220116.111 10250892.55 6527475.892 6477445.934 280455.4667 147480.4069 150205.0717 145617.4174 226946.7368 13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetate 52768.18257 641595.9185 751909.7636 586236.6319 1872284.358 945495.5647 365469.0674 3656770.016 675159.8873 746659.1493 508991.6147 471975.7199 400752.8024 385361.8774 478480.9713 975845.9753 881518.5667 2700450.873 666220.0501 1211882.522 486987.9366 766730.9621 218244.413 832176.1408 444958.2019 695231.5865 479565.9621 359278.6498 708800.717 458478.0838 911063.7372 614840.0609 913069.7801 865485.7897 1083675.528 824241.4457 432354.1393 806881.9366 1028289.515 260209.4127 361456.1094 792946.824 603187.0995 606864.7817 739174.8657 920840.3183 433187.7234 1039039.274 625267.4272 679416.0849 468736.3613 3755114.49 1656340.734 857645.5511 603347.5997 1454404.329 1445543.449 1554622.979 470528.3991 2229980.669 598859.5601 1013009.446 1667402.814 663479.1178 711062.5851 763347.4084 494856.4846 250869.5196 199054.937 419200.3755 860784.5406 544914.2402 546842.2186 830349.2711 703169.9055 423121.385 902944.1876 570531.2205 1341165.882 1289568.186 190316.5588 492839.7624 234346.474 1106415.269 935639.9409 203758.7571 909253.2892 340244.9934 371912.0892 981252.7429 3449503.37 1736987.517 823160.6416 649439.6415 565451.8604 79517.10871 56606.70736 663697.9678 458071.6664 648737.2298 568837.1281 773377.0537 708041.3012 442405.6485 594867.8342 1472404.825 543690.4098 552770.2217 578373.5683 627300.9079 583659.3343 1112010.226 609068.893 723061.1854 425913.2992 701239.7357 498625.8897 983191.9947 581377.6661 986861.8734 779608.693 629836.8084 705853.5372 920444.8548 676453.4652 630306.7518 511444.1535 2275869.057 360372.3072 399919.7871 992486.3047 235697.7877 886848.6545 552153.07 904149.5918 9081706.727 798295.6203 678631.4384 564912.3456 377175.2008 619094.1876 512458.2623 1176078.486 823542.7717 516457.6814 582599.791 4648068.844 1089091.068 1095211.258 715321.9566 765634.5251 503956.734 832496.3831 1096540.421 789447.1371 803260.1452 722249.9436 807419.8962 590408.3648 494073.8569 1731648.884 658393.4459 825567.658 996735.7653 466113.3342 1127568.946 926030.0568 459568.8704 808496.64 734408.4321 1216315.542 69519.41151 73125.29995 67837.78503 59449.44984 70636.46884 1MVR 108858.4461 967410.5198 1077790.431 1257410.25 1169456.86 1516979.975 885899.4416 1912382.147 1058188.148 1059130.395 1379306.902 1288821.821 1320145.744 1321911.467 1188892.915 560838.5515 1314996.067 3364349.101 370383.5194 1706283.987 1730417.502 924333.5885 1552371.769 1906668.413 1214667.01 971117.222 1227127.438 791539.2434 907255.4678 1946078.116 2429578.211 1573029.154 1515465.496 1824682.736 2642439.031 1688240.996 1709845.109 1894032.266 1513769.147 1651104.894 1278684.799 1635684.163 1493083.432 2495528.305 1555913.634 2044463.992 1465007.999 1460109.301 1404682.826 1500795.614 1672366.109 743819.7285 805481.17 1696159.355 1523993.006 2377471.507 2825576.421 889166.074 1431936.86 1350696.735 1385111.479 2180914.706 4135552.544 1306435.111 1101590.999 1364747.225 1424625.278 1955038.428 1258281.908 1322534.39 922881.3168 1386225.501 1270074.824 1616354.091 1370414.981 2177681.461 2181830.601 1663014.646 2078323.078 784931.7595 995191.0803 1501585.526 1697642.472 1683975.649 1928625.568 588962.6061 1209409.116 1478183.884 1655654.141 1713624.2 1503803.71 1876611.42 1419857.808 1245193.631 1258143.85 89857.78359 85039.92951 909237.6683 1319495.61 2280798.18 1016544.495 1136728.242 1722455.271 1569805.048 2050084.708 903702.3413 2194008.799 1572138.07 869539.0414 1525856.584 1584265.208 2698136.65 355994.7873 1316954.05 1769515.763 1716877.645 1164474.123 730008.5545 1365982.3 1500330.549 1681654.769 959151.2904 1456616.019 1208220.347 1992513.431 963262.6247 772754.1738 1389681.491 1869342.932 1447581.682 1808745.78 2096896.526 1267321.643 1497888.694 2398973.632 1725387.08 2531246.009 1642756.545 1533999.794 754555.2408 1209939.169 1681677.46 1576501.037 2780731.514 1999328.76 1161488.116 1813357.387 2560401.216 782890.8529 1106257.985 1610579.61 2295789.553 1445173.019 3813944.685 1965683.422 1774153.394 1345354.625 2008457.916 2985179.75 1691979.732 1262214.845 2440147.961 1403762.902 1679237.856 1628587.318 949982.6336 635428.4345 600720.5099 1493463.496 1708053.357 1846906.098 89681.33249 100019.8802 86761.6709 94450.4111 92756.9658 2_5-Dihydroxypyridine 67764.98785 469477.7657 133403.5608 121345.4395 951677.2186 786560.3626 1104046.097 1160335.718 781299.3321 1078369.211 654517.0627 781662.7307 995662.9606 1266739.945 1342361.608 999934.8398 1438599.378 610133.1722 1193792.177 1720678.283 1506091.534 754328.6019 990618.8189 447357.2657 1337747.091 106280.814 97635.69865 1150854.711 1431380.652 363682.583 1577772.141 806074.498 436044.3725 763287.9233 1266424.267 497019.1905 1363548.672 603713.7114 1323731.917 1017543.052 1054964.548 1450681.442 736874.121 892471.5852 1247403.899 847604.7684 730588.5169 1190935.606 271242.6836 170573.2906 1524886.752 2005069.772 380990.5897 428519.7812 1930193.556 634485.5375 425348.3887 1076186.31 1342611.179 1102573.297 1276415.767 547368.3832 893821.3228 633232.9167 1338409.616 653016.825 1244238.389 1516215.747 1429579.821 1156694.107 673909.4702 362938.1511 273433.4057 1046492.888 1661133.562 1577929.549 1495374.25 1694233.582 972871.9885 1120843.154 1408098.367 1425679.105 1304160.322 1010733.65 1401169.387 1727131.018 1157128.091 1605299.645 1506137.891 1490061.719 1670009.262 1273181.686 1210947.132 183727.5194 362440.9813 48591.72944 44686.83086 336187.081 81631.2776 1821919.722 1596507.16 1692306.417 1776361.581 480000.2485 1188772.271 523464.1121 1453881.374 547220.354 1242985.318 1396569.395 1054096.001 1529582.105 1407045.556 1254432.342 1929874.157 198070.6679 277317.5578 1362852.923 1909393.347 1317502.86 1472546.57 582031.2857 1410731.91 1458450.519 798040.0407 593342.1241 1665234.685 1706408.121 1238023.47 851033.2242 533431.6673 1007385.877 157681.136 465293.2996 1989534.084 1981961.969 752373.7648 1228575.803 1626729.838 807983.1576 662089.2472 932441.7452 2013567.907 854207.2003 1633305.507 1472758.83 2144690.002 1331140.545 1471076.615 412835.1173 140809.4534 1839610.704 1143522.886 1747230.257 1605166.051 1302047.716 1293831.147 486816.5608 1667711.632 1910328 1112392.524 1674815.67 639222.2182 514818.8417 1751236.648 409856.1461 1370566.407 940599.0189 627407.3446 194011.5131 618772.6549 54235.67622 39652.58533 65066.92509 40185.92798 45771.74322 2_6-Diaminoheptanedioic acid 103735.7532 1072288.952 222807.1286 485425.3896 1147786.976 1131590.771 695340.0083 2402231.357 1213282.599 1269590.3 2212546.648 899686.9606 1037065.981 3144380.472 1980534.916 1478709.248 2947201.274 2124369.574 1899002.058 2156980.412 1817632.226 1522329.835 1310788.388 2062644.424 1592431.609 467070.0557 473162.2636 917612.5877 2353984.538 2569155.708 3215315.503 2094634.221 2050683.001 2731458.912 1947343.167 300288.7817 1824053.109 2059979.172 1759523.874 1881188.028 1738792.562 1342390.813 1116873.292 1761105.377 904899.0114 3525906.59 1596894.07 1826524.098 243661.9186 641593.6476 1339811.054 1371599.996 997696.3406 2844209.316 1835046.845 4691380.489 3932367.925 2998458.284 999062.7596 2022050.204 2874092.048 1701465.651 3604329.305 754936.9436 1176338.363 1278762.731 1353010.395 3864679.401 567591.6566 1169206.457 1749201.315 201059.0808 413757.9888 877447.2207 1457474.031 742556.7671 1957664.316 1358459.338 638055.435 1155329.756 753745.9816 1157821.065 1319060.781 1524642.936 1560701.455 448539.0915 1243723.87 470525.7482 2056150.302 1586743.549 3015466.561 1192725.66 1112973.662 356772.361 382759.2856 103813.9312 99172.19441 256011.0723 395482.5401 788083.639 930123.1642 875424.1915 1636864.741 1171391.725 1553093.563 772571.7672 898767.8241 905508.8247 980634.7745 819883.4899 926724.4855 1604036.607 1172560.304 1273563.325 1696383.142 252785.6999 258823.613 914075.2092 692880.5386 850193.5989 1516649.71 991268.5979 1530914.068 699319.6849 745446.6206 1438078.943 1547895.699 1218191.717 1160783.476 1494573.958 1217583.477 936694.4391 291420.4809 213862.0885 1052424.259 2014287.57 1692906.14 1415668.019 1230299.109 867397.3248 1098518.167 829164.7366 2519665.5 1208320.057 2201376.391 1279266.073 1564656.965 734240.8293 1074075.528 246098.8228 363290.0724 2888828.251 18076.61115 1422014.468 1422642.332 715945.8081 999480.4848 2603710.06 5221274.187 1138920.513 1582264.489 1879570.902 1675489.832 1055152.646 1132648.659 551915.8645 743193.5018 309054.4678 305393.6844 357914.983 1535351.816 102923.2614 104207.5252 95323.65264 89466.11241 103857.8715 2-((2-hydroxyethyl)amino)benzoic acid1 878510.8825 659663983.7 673919196.4 700087442.9 707062728.4 1072411550 520000872.2 992956622.3 756470412 453434110.7 814748832.6 805336626.1 983909639.8 970142078.8 754926969.2 924685915.1 794649228.9 1359679925 476421642.7 898686951.8 853915478 1041570433 807868867.5 1017822549 727146208.5 759499019.9 841327341 516947327.5 552352613.7 816721894.6 1340425370 784947839.6 560527090.9 561300876.1 1133695809 1176494264 716706274.4 927909708.9 691731163.1 938294210.2 473371750.6 471267312.7 503262838.4 724538607.1 595148970 880700191.3 746081229.3 797266697.4 826254279 868862054.7 423746453.3 893408556.2 727985328.3 472205987.6 505133319.6 458451500.7 410640032.9 561597830.6 395078013.7 989732111.6 414540428.7 728560852.4 534117277.4 378610016.1 422404020.5 208235296.7 373813217.2 382396262.8 579713208 386082566.2 376001914.6 728562248.9 708603954.4 612240765.2 253421263.8 254704041.5 513007281.3 351029578 406377677.7 220227930.3 260712865.2 391196551.3 406394879.9 376818317 721249111.1 228867851 295601377.4 336743374.9 354612449.4 426929537.6 344232129.1 432712973.2 145652975 476371473.2 775114977.8 17786254.51 180995.1819 797175996.8 910644890.7 544111063.6 440860223 356286975.5 277080144.3 319095979.7 257814540.4 269940523.9 470030084.3 302466258.5 250886498 494084780.9 350223002.2 635108930.9 218233187.4 223155747.8 302157627.5 466154387.5 679003163.5 307149149.2 383445126.5 364310860.6 464242356.6 390192364.3 523044563.6 273770183.2 468415926.7 266302079.3 441208691 378333477.4 355732565.4 533953010.6 432230372.9 303040624 467406559.9 486284357.9 404242058.9 739534885.7 580252339.1 329527717 452231318.2 688378911.6 460735082.6 614682958.2 468547127.9 431201173.4 573852953.2 322909461.5 410440431.3 413268220.7 320134466.5 515643963.3 554921827.2 538364538.6 454375691.9 551432476.2 411741963.8 404296461.2 429828690.8 453857072.8 631016437.5 627334065.7 357520828.3 526851131 388249105.7 419035831 414909213.5 501420037 246446317.6 421424516.8 644347427.2 610754038.6 2980242.714 159806.3111 171516.115 147590.103 140182.2136 159560.3872 2-Acetamidophenol 64193.08448 467684.2894 395539.1186 537522.711 62799.09625 69827.10739 687725.7975 649808.0146 1300131.176 66636.61366 68157.15331 72056.69861 67205.9408 69244.34056 815160.1331 1434493.191 73858.60222 711901.1631 72483.69853 1247514.095 70849.31915 1983939.363 380209.2602 71693.0078 417566.309 332034.3061 742088.0199 71102.23581 4000405.863 653734.6792 71418.71377 65552.48928 68027.15584 67136.95958 153836.0625 67806.32541 617814.2529 69370.74498 77861.52687 351486.727 446233.0697 1183303.628 74484.83891 1195395.461 70036.14668 94826.7086 67412.37058 69145.90228 118717.8943 594651.8911 80643.01602 67717.8899 66134.00505 2584266.469 68731.32546 70539.70706 68744.45545 67414.89887 115361.166 234883.9903 66211.03221 65130.74421 2513468.16 65920.68986 207979.8495 67628.74074 64958.1225 67004.29627 156517.306 67700.67354 2614367.503 426221.3444 472735.6746 2329516.036 69431.33215 69026.04639 69866.75127 91620.72878 327951.2966 69257.79398 77697.35471 112854.4723 111416.9449 68434.28036 611818.9258 159715.0796 571470.3816 77819.57881 71690.86387 69253.64659 70494.32648 72952.89409 72764.16899 159283.878 737569.711 84402.79119 71451.54381 313921.3771 414079.8524 1349384.377 71735.356 67974.75418 73148.19318 394512.1614 2519697.112 71767.12977 3527845.836 540833.4761 69996.17768 1525081.32 71176.94744 148381.0822 1422421.036 566769.0735 228652.0314 379817.4025 703919.1512 71002.64981 569206.2596 68283.77009 64065.8091 74031.5696 601767.5945 71263.14318 68105.48642 990911.9929 67900.52323 73162.53342 140072.8174 169753.899 534388.3865 67240.51174 311922.349 645385.3824 66965.88584 71576.94947 844507.9337 346618.81 526058.9439 1482132.531 1205300.268 2015562.375 519045.1674 69008.80177 71203.51742 192931.3664 458157.0726 87474.48073 74657.24909 387698.1131 872773.2931 69098.09222 72055.15793 5173907.035 77198.62782 74618.2854 1172218.046 71683.77847 153203.2701 69308.45783 753389.3157 85491.48078 71334.74694 438831.9084 72600.41432 71254.52449 75756.94422 3002552.683 282873.279 782228.7036 654645.4728 75344.97961 78594.5854 75578.32403 78630.34591 73851.75016 2-Amino-4-oxopentanoicacid 193155.211 4599692.926 4306977.713 4507776.539 5263663.983 3746652.848 2712364.924 6963886.59 4468439.239 3155764.98 6130772.677 3183000.316 5636287.068 9823178.844 5925375.312 4243927.411 6452630.531 6607121.087 4134298.301 4933424.645 14049801.13 5197768.538 5338512.285 6377658.961 3814700.706 4244982.476 3246573.138 4819637.397 4872276.556 4385393.902 6663925.067 4719150.858 5380219.996 7284090.023 5712189.533 3494372.607 3921633.973 6653619.326 4510526.717 4675891.601 3834651.745 5820482.379 7478785.005 6722336.825 4064715.362 12698379.05 4669589.752 6044454.486 4179578.54 4365430.232 4792264.502 6100190.941 4011202.68 6688025.458 5303386.3 9260497.711 10193339.1 7601803.407 4566160.336 5984891.18 5726903.834 6556634.432 6502859.592 6164486.964 3036501.289 5547262.646 4752989.39 8748054.173 4513592.499 4744959.863 7225215.135 4317934.559 4596550.148 5046644.502 6176746.348 5723223.695 5440392.089 6838113.536 5708281.747 4494385.308 4064910.117 13986431.83 6739258.238 4754231.563 7006485.481 4427006.119 4608915.41 3028065.72 4757293.158 4095728.571 5983190.694 4841091.488 5214706.375 4938301.713 3570137.222 122010.8789 75213.59553 4743582.613 4378379.559 5883634.867 5779618.102 5909153.377 10458602.09 5606799.549 6249377.332 5737750.629 5868481.225 4692298.489 5865567.52 4523245.094 4047926.682 8414200.527 5283613.786 5845704.573 8104504.376 3617477.481 4644914.116 4904393.891 4972330.468 6795538.293 5725850.735 4138009.045 6577116.307 3816460.48 4621364.401 5012584.712 5745611.031 2643610.476 5670856.503 7263135.093 5536595.844 3970231.946 4931416.447 4383198.712 6908766.977 9135289.177 7885040.118 6260432.618 5659585.036 6903960.456 5388549.915 6136295.302 7179429.152 5962784.453 6629144.765 4983464.271 10105047.06 7617333.869 5600972.565 3762294.844 4670100.627 7463162.958 2957037.833 4249988.348 5681720.037 7190580.57 6871949.788 8201356.656 7732698.332 6347080.68 5940565.552 7244953.77 7607885.437 6842365.886 4392533.73 4387161.971 5123696.095 4600261.206 6059829.073 4219236.271 7167219.642 92923.38799 97237.78634 90206.75542 81663.74902 92162.55176 2-Aminoacetophenone;O-Acetylaniline 225583.4783 105934820.7 110776015.8 114358425.5 116866653.4 180472549.7 82869692.48 162669099.5 125106145.2 71885213.83 136648170.7 131811701.7 162484039.6 163176670.8 126421324.5 154909255.3 128417946.9 227798519.6 75648314.16 150405324.9 139370132.3 174152862.4 133950763.6 170822337.6 119985807 127198691 140172407.4 84867788.19 89660446.2 136737519.7 222903166 130094613.7 93691779.36 93077923.71 189036763.1 197817908.6 117764332.9 153628802 114412426.1 156620867.5 78769842.72 78348583.6 83166180.79 119413894.6 99814544.86 150901774.4 123585110.7 133685162.8 138181259.1 144686888.1 68909681.57 148482354.9 120850093 78775701.78 82530084.55 75303490.35 67584704.4 91708152.17 64377647.21 164579816 70550406.71 119630690.5 86842076.93 63067384.49 70643036.18 33114776.71 61496827.16 61517659.65 95572956.94 64519335.27 61255164.41 120065065.3 116611499.6 100239689.7 40954411.61 41632246.08 84536916.4 58521750.58 67185873.87 37115745.93 41330096.41 64182051.74 67217163.29 62400070.26 118551121.5 37283737.37 47940642.2 56259503.13 58858325.41 69734038.08 56568772.57 70502404.79 23954059 79882374.88 125870000.8 2898349.846 185373.2477 129693831.6 148116765 88239206.14 73773759.86 59871791.1 45743989.13 52859957.69 44290037.92 44720873.13 78144653.71 50703225.9 38864262.46 79762485.05 60376953.47 106465598.6 36777681.06 35983653.39 47659614.92 77149631.56 111914389.1 50394462.91 62792946.69 59761020.17 76001005.39 64995106.16 84048526.19 46179629.14 75210596.61 42973163.31 73046971.92 61317917.92 57736698.21 82435136.79 70243108.77 49667866.29 78392781.81 79184768.73 64745331.61 121180166.3 93459669.87 51525249.77 72242235.7 110977719.8 70255395.07 95898047.17 75764061.72 69698085.24 93184102.94 52779593.68 64184444.27 66649078.22 51040178.65 83601522.29 89900416.61 84847699.01 72814386.45 84582078.8 64354263.88 63015944.63 67726882.59 72772527.22 99805563.85 103035631 57748286.64 85403181.7 63144980.38 69510535.7 67519418.9 78157862.42 38933640.2 68686676.18 104183884.4 99780814.65 69619716.79 177368.8592 244894.9339 259825.8993 193590.863 273827.1693 2-Diethylaminoethyl methacrylate 112402.7284 1343666.046 1166788.434 1317798.091 801195.9085 889395.709 2554308.46 3166558.886 463396.5934 1389775.272 1702962.931 1543886.631 546103.078 1710552.997 1646780.118 1481155.078 386520.2295 3432888.746 1245905.665 2489966.231 5158108.574 2167315.384 3740154.951 1980668.87 3008636.462 596717.0786 1239280.64 928370.0638 1376658.298 1121297.398 1557848.933 303810.615 1721718.031 365095.0584 1211874.668 544110.7682 779217.1683 1800835.721 396830.9917 571988.9472 2396122.369 318067.0499 995789.2435 483422.5787 1120401.549 676858.0126 1555546.058 419654.2577 747841.3635 1073196.579 1008422.762 939818.4743 319990.8513 1989229.444 1676408.662 1312484.88 1036780.885 448170.5373 1344133.365 2979517.901 1752457.989 1142505.937 2302419.747 1074483.9 1034120.335 2095673.247 2698572.433 925295.4558 789167.4033 1330789.599 887988.1551 1070035.597 949726.8655 1245212.355 1566730.229 4274383.714 1101257.886 1178718.734 685810.6249 575350.0793 1080114.454 3811974.213 1997386.318 1620915.388 886403.8529 692321.8561 1372657.941 3753675.655 1291314.062 903617.0439 320628.3971 1861038.268 2599632.062 1038343.903 1460922.797 270483.1723 96321.62139 902156.9851 1285479.584 884860.1528 1588657.205 229198.5427 811249.9328 879014.0792 1290297.77 1075949.337 1722557.173 741841.7141 493082.3586 1607780.753 1119914.367 281144.9837 1208109.183 596508.7217 2228762.771 866015.1277 1192563.269 824227.5127 1569529.527 2057725.09 1487099.634 656006.4359 3852034.074 835927.1035 1753008.225 2313949.203 405345.1642 1764809.532 1090453.56 1227053.14 659166.2073 609864.762 984559.9571 1180818.5 688111.5222 555005.6357 1095586.23 1335252.291 1663123.006 985640.0246 1235145.988 2330217.63 820246.4334 2019200.818 2108023.781 1083325.675 1103367.657 2022968.943 906501.2632 642850.3098 1269454.257 773446.2297 1174425.491 2232567.428 2274301.521 374920.8337 1072958.047 777920.2588 270538.1944 2913922.072 2003471.225 418554.0699 1420237.016 1201356.462 1047352.066 568073.4533 672517.4276 1101399.908 1114579.28 703111.9142 2810993.791 175236.8926 103276.3909 93639.30333 142026.5086 95777.00592 2-Ethylmalate 136000.0545 1043341.042 484176.3707 978044.2004 1155446.481 2997498.651 963646.0117 586987.4629 971005.1552 2373492.066 863025.861 1513003.841 1024747.216 905059.7145 1002292.538 939031.458 1195593.735 1076029.464 2157166.283 768014.3677 1100572.254 632735.6667 1053066.554 932662.6049 981747.7898 349454.8566 667897.7728 1096204 830320.1811 1504243.679 1116078.265 839457.601 890808.1248 883862.91 1275049.665 656542.813 703420.1981 722376.192 676775.0076 802385.7873 965054.7101 993338.219 780579.3706 791781.0849 1019499.394 5566921.946 1046192.605 920220.9511 277574.4169 392686.3107 1088555.069 797161.5434 5482252.602 926466.6764 925165.5949 1057145.453 1192669.603 7963828.075 1120305.391 958691.7597 1003493.146 1013445.006 1244810.039 1284361.806 1265652.808 1348602.106 1100143.91 1645271.05 1215212.172 1690941.686 1035474.627 277897.0993 630061.4667 1481019.882 1540892.358 1764159.565 1132293.882 1940896.588 1471730.387 1416764.491 889889.284 1321025.799 2379747.152 2535010.475 1220116.973 1609029.431 926117.2628 1653486.784 960423.7287 928132.3797 879415.8665 968795.7646 1028895.038 324274.1985 606849.732 117301.0388 115913.1534 183014.9214 334385.2955 1408460.215 828491.539 1256278.953 2128381.25 1100817.767 2093637.634 464703.1843 939949.4702 1112064.11 1111364.731 1625732.957 8012302.496 897227.2692 1520304.62 1325275.553 2842416.127 312436.0158 556550.2328 21843412.59 1526402.829 2425931.037 884725.2903 1064317.374 1018727.167 1403956.14 3401497.699 1200665.419 1138796.953 2456351.88 1224235.449 1189262.052 1652161.515 1265482.986 547726.9083 529085.2573 1189434.347 1378815.978 1471424.995 2224841.88 1034543.629 1391551.163 2014302.625 1047945.47 1657379.55 1727723.261 3230873.416 833056.9613 996622.5595 2339282.003 2202406.855 421859.1882 487534.1698 1021943.875 8208207.851 1211842.803 2493529.37 1182235.88 1480981.756 2343626.362 1426471.416 1964723.681 2543208.797 1406870.924 1613788.37 1878816.28 2124155.872 870013.8768 2216402.492 2524060.394 471016.4856 676620.8682 1652794.433 107308.0867 113156.7691 110234.2859 95156.76721 105578.9638 2-Hydroxyphenethylamine 149157.5203 4014853.412 1971596.804 2787892.53 1706663.627 3171285.711 2320320.146 2060909.518 2969868.861 2212265.038 2954473.673 2549583.4 2437106.021 2495088.715 3242283.401 2107886.482 3667445.696 2189610.677 2921311.511 2066195.926 2984244.351 3465569.806 2402573.325 2137173.844 2655789.171 5499181.185 4721489.773 2832925.413 3212799.663 3982225.243 2714239.212 2701092.126 3212878.557 3808543.976 3005933.531 4099203.893 4287674.479 3003106.901 4164304.37 3939559.117 2675704.061 5228151.441 5050131.371 3360539.099 3721381.24 6135695.546 3692654.995 4196385.75 15100352.54 7102500.557 3082916.951 3631132.903 4332058.905 4901685.581 5403552.735 3368215.566 5050772.462 4661207.039 9119829.682 4560014.564 13402961.8 14555223.99 14363618.42 3977020.686 3600296.593 3816794.055 7087388.585 4334903.88 5979959.494 4030373.068 3141682.265 4578659.162 9735468.071 15249943.39 4247194.913 7804487.995 5132482.402 3505595.121 4322931.215 5575497.145 5231241.864 5074568.503 3970106.594 4951876.22 5161077.943 5376873.381 4372519.366 7164070.199 4762287.913 4349686.63 5463675.398 4462116.907 6312879.71 5029522.741 5794909.434 939673.5534 1088567.495 6140996.957 5112464.862 6945635.057 8712591.744 4555547.561 2686901.899 4999171.392 5177801.223 10277422.52 2914938.754 3212545.406 4087137.003 3628082.275 3132137.319 12741400.89 3494390.217 3490084.9 12713500.59 5937980.465 4958221.329 3968913.357 6726905.626 5659655.028 4792397.342 13888764.72 13550711.14 2645658.223 17375987.1 3681962.945 4324573.165 5180826.55 5876566.874 4747920.676 6273365.208 4576817.323 16381544.15 15270933.85 14316227.09 5083736.652 10602450.19 5470744.65 10858414.65 9671728.85 5798480.027 4452075.754 6993023.886 14736311.31 3770665.528 4172122.249 6259105.582 7620782.111 8880919.234 5681507.105 5538129.4 7490802.625 6217581.793 6916791.1 4911315.283 7436911.741 8784819.219 5911195.606 8668788.214 4584155.767 5400330.851 7399678.759 20599208.95 15755164.34 8540195.839 8600194.972 5012087.618 5245899.315 17039485.68 16095734.51 15441275.11 538299.6551 382746.9575 368165.6653 278113.9245 355148.8188 2-hydroxyphenylaceticacid 120277.5818 134137.0243 80948.84721 115224.1868 323290.4291 96579.52571 88817.53337 112524.571 85821.63193 90746.47092 86212.92454 84897.46486 93566.47482 124539.6575 93971.47913 107124.2064 110592.5476 133729.4788 84940.18692 122941.07 89182.92259 611833.4296 345386.7415 363603.9413 348832.23 99014.89235 166542.4408 95328.87499 81692.04228 87325.12054 341064.4862 240711.2057 771532.9545 178117.6445 270470.5237 78888.74478 80724.98307 235185.9622 87548.17431 129477.3455 76260.70734 77638.78321 81099.87556 88660.78426 81688.60115 82543.21576 124635.6747 82180.57085 87246.58889 214122.6537 81382.70804 111152.5278 71744.80077 290985.9957 70524.69588 86436.13142 93795.68237 109925.6656 73070.4447 79853.63578 73420.93966 76931.41723 249762.7547 100370.5459 213735.5674 75564.37727 92868.48234 162652.2773 108528.3936 83747.61304 110816.096 78954.7302 113801.0498 94700.06892 84963.23119 114781.4995 94663.33202 378782.8916 84850.46924 539847.9565 159374.6528 97233.69613 112321.9389 89195.35807 76500.32238 128894.3492 90290.68241 133195.1001 102818.1831 80070.15879 108508.1748 127785.7477 79772.38147 78236.07629 111979.2646 99377.94361 88731.9586 89070.80856 148639.2245 390792.8262 88191.65236 101309.3918 83292.42805 74207.79795 92988.51885 95089.05362 372734.7522 650757.0566 150781.2736 98424.46023 185708.7775 252435.8657 77116.13613 75984.29693 460665.1329 86656.68896 97265.83841 473531.8533 440542.9769 77363.6608 224723.4932 210408.5386 127154.4725 226878.0052 754520.1295 78326.06724 74207.60058 201810.2106 627253.3327 84054.26049 216362.8538 240041.0101 84844.44088 109790.4035 87428.49801 76821.10534 82960.66404 214952.7019 424225.1236 81510.80869 74339.705 103859.8393 579044.0937 761404.4818 103845.1456 119890.225 95120.01691 71540.80954 97839.42675 90632.11288 82183.3297 99176.23192 121992.7518 100924.7705 171998.0237 207469.0575 74941.38322 101617.5546 110312.4693 75456.82752 79331.87111 89166.56813 87853.82167 338507.2933 220135.2543 290196.7607 90916.7193 76646.20606 115888.3746 257166.6107 245294.3095 104012.8436 104712.7848 104383.3809 96066.87599 113747.3942 2-Isopropylmaleate 78092.55912 392345.7116 411408.8123 270352.303 472156.3826 402564.9196 254118.2392 766383.726 347303.1477 241923.1141 732219.2622 645307.843 632452.0216 1018219.225 248421.0353 734885.6739 569282.3486 947811.3226 278413.0108 253799.5154 645205.3184 430511.3528 515885.451 589010.3733 447034.0212 397394.79 528056.6788 290043.2094 430721.3022 846719.3899 865301.2544 686987.2425 564182.9642 637685.9144 686630.052 387153.1286 348325.1933 525807.2349 508792.7965 380109.4111 678620.409 119227.2348 522768.0577 813790.0369 637123.5781 840965.3956 504920.626 196107.7074 466917.4221 611748.4558 546107.028 374493.8626 444089.658 751832.319 284285.0623 923255.7854 1132573.808 1113150.114 492227.0001 618578.6325 753728.4153 114884.0417 787555.2053 546129.3554 437111.7065 384899.9174 259358.1756 629137.2373 873085.3818 582504.7081 467255.2528 405398.5469 553751.5467 456113.1416 318154.5673 294356.5227 530188.6098 311676.8843 1065175.184 288194.2414 479199.4919 362878.8657 513020.1344 190834.0748 293349.3066 281234.6846 249865.9737 367200.8442 263739.1165 338598.7431 93902.74308 556221.7981 114814.7279 415899.4246 503075.1591 88082.25568 76623.20748 282717.0396 495829.4573 375619.012 349057.3815 507171.5234 714097.123 588149.614 127717.3833 309747.3553 421979.0123 381251.4908 217959.8653 594298.5157 325960.4521 340373.2506 337263.1489 240260.5038 231010.1072 478114.1528 543179.2093 634345.8296 446672.7284 508637.8823 657027.9273 529834.016 237400.6898 174129.7801 562398.7756 429804.9447 228932.1502 301125.3247 594447.5673 304687.4045 828112.9199 285690.7713 492702.0272 540592.3294 387713.7693 541032.6471 850728.8592 282260.6844 356555.3415 328104.8055 569124.3694 842627.6484 423450.352 405486.2699 663908.7552 386427.5402 701639.3546 506269.5288 588335.6371 415069.1021 565891.0275 739590.2375 407528.2446 539307.7567 491502.1321 373694.9331 621008.3571 540481.5293 683675.9085 396327.1852 266964.6138 151386.548 316426.5099 488683.5002 307660.2452 312311.8864 427039.0489 492649.5275 516492.8118 620778.4438 589764.1872 75021.88741 81633.04807 88364.7578 81166.9613 78741.46834 2-Methyl-1,4-benzoquinone 766029.3626 3356392.968 3750321.63 8127925.894 6200779.448 2296183.922 1753388.034 9988423.093 3534474.738 2771298.094 10552842.74 2047215.46 2791723.107 865095.4408 4737225.281 4903425.93 5746369.481 8020690.804 5089584.3 3963057.067 9940334.163 5482330.161 8031125.898 2219331.791 14102916.61 3304562.773 6560603.918 692793.6027 2808834.702 6987817.36 3382666.244 1532899.376 8742475.15 2764190.272 7902801.733 772938.3654 2951436.701 14215405.54 1070074.354 7699899.371 314820.1642 1836372.111 1922294.22 1954636.151 775243.4463 33701482.45 3316123.872 2055274.213 3076472.607 7047105.502 979914.6045 7905111.88 632858.5845 12835311.89 4125928.355 2445529.929 5121198.318 1768501.996 8211343.852 1620180.107 3421245.908 994939.2275 6461172.879 1276141.225 15760483.53 7954249.226 1440013.631 20920809.5 1406112.605 2237461.278 3568320.222 7848960.232 7793056.911 2054112.176 10789618.39 3541760.09 2279588.63 2920941.385 1063098.668 897592.6149 4715100.654 2990116.767 1627238.549 9755019.844 1260922.304 5157885.565 3602938.292 2365592.756 3161372.59 1142999.327 3470629.627 2069204.041 1061202.273 8690539.04 13090908.63 113041.068 799336.6076 4185822.43 7204958.246 5096413.522 864540.6367 297232.2483 1991602.042 3658139.358 5169811.657 1143105.056 5294563.026 13542150.1 1252232.123 13520233.01 4610123.713 34271334.03 1986922.896 1856801.865 25188611.37 5988566.54 12106732.96 4955219.352 8440842.765 2777508.381 2715804.911 905565.458 5868403.735 1653659.199 6447827.825 6916258.26 1510667.268 2678070.725 15099173.76 14327019.19 11832817.34 5394629.387 4649842.823 8679473.176 935644.4953 7853794.159 6612491.24 4715098.678 4034409.414 4877644.472 2409310.438 2685300.41 1544759.546 3381884.348 3046425.62 3975897.846 4672783.744 762561.3392 679877.8434 5505212.284 9318807.814 11937571.03 1786611.195 4388426.649 56600089.9 3378094.034 1041562.692 5165259.29 14079558.15 932582.5522 12351079.82 25988277.74 1250044.685 7637223.542 1029008.463 2780247.178 2594312.56 5488176.111 4568418.272 9549845.257 5217541.3 829364.3382 719152.0946 686702.6735 568391.7791 533890.2331 2-methyl-4-hydroxypyridine 426885.0877 2143130.608 2541840.155 795585.9362 780317.4059 6223793.725 748156.1942 3061704.998 871824.4955 829667.1834 907909.0068 824805.9077 834761.8681 869223.384 805376.8909 819016.9592 869760.9505 753396.8662 840595 869543.5085 896519.2536 807047.309 874437.9061 785396.2834 814041.7478 1122299.062 826217.7572 852903.4145 772534.8699 794968.5039 814346.0549 807149.334 823200.5318 713166.5617 802089.6631 801732.1042 713534.0502 668272.2325 778569.8876 701627.4534 785225.2811 758555.8104 842179.3968 838782.7154 664630.4046 878179.2056 844139.8676 922211.3692 2021528.897 765363.9721 760911.6929 926783.5353 709969.6021 637346.85 687009.4609 922427.0535 844169.6743 877793.9809 672810.8246 830435.5334 747556.1583 666083.675 807439.3644 815385.743 776600.6698 861166.1499 777232.7876 814942.225 663404.4274 2378774.744 640184.5454 1140884.439 701465.2109 671653.5907 633472.2231 19774556.11 716800.0148 44297885.63 717418.2687 743617.1075 722380.2203 685930.0427 656888.8546 23895850.9 613786.6318 555351.4336 676361.6381 21151819.69 649645.795 618441.3773 818230.7624 8445717.156 610957.0193 1364581.342 507320.1847 375598.5528 395997.6651 1102288.372 767513.5425 847533.7976 674795.3895 645589.7167 713292.9835 704904.1292 671840.4653 747515.4108 705191.3903 758411.2632 704048.7677 685814.3326 739640.5852 1003855.063 645994.2064 661934.6001 20383131.96 1654391.006 633871.8437 821828.9168 510683.6892 780419.8381 6870956.644 684760.109 600505.3946 805299.2322 524574.432 647661.2162 551247.1933 761549.7324 622048.0494 667950.5604 568208.4879 674921.5166 2832288.504 544346.8275 456288.1942 918240.3913 441992.8683 979159.9244 664035.418 491565.6781 464533.5004 571486.4846 465090.8309 468812.0398 4705539.945 653211.848 506789.0369 3959936.255 591194.7786 1698164.694 480929.7009 607705.8794 492048.8519 490351.5613 615104.5186 419455.5943 449556.2113 551951.6992 567757.3052 464125.4674 17204997.32 489182.3333 24237723.12 562195.2526 611158.1081 569210.1362 451308.5922 558848.3327 1107277.215 828035.9367 4110305.75 369130.5133 394468.4285 378219.8407 347441.2793 373491.1682 2-Methyl-6-phytylquinol 658400.6199 994321.0309 2454651.481 1781785.055 539707.0416 1000487.648 1889152.643 3744895.247 719054.074 1034005.185 1679642.494 2133320.45 1004910.196 1213953.896 820005.6952 4774973.229 2508978.445 485414.429 495934.2907 1112042.61 2437323.816 5676541.931 511874.866 5621778.456 543169.5922 2690643.122 1379180.53 1110493.249 1403836.056 1131378.216 2969537.001 417384.393 2346117.075 449617.4861 3748163.234 3572335.769 1034191.853 959708.144 3806683.578 1612632.697 4244372.706 548565.7501 1983681.076 2346608.584 1486519.749 1184312.775 4860045.587 1080954.888 2452279.108 1831745.281 950506.9504 1018969.022 5228276.032 668461.5242 333064.214 2630029.947 1148694.084 1964691.023 1691509.397 534862.773 3117519.06 5029275.734 1087728.621 3115133.926 3374184.045 1007022.965 1255266.876 996774.3448 534767.2426 1171974.827 1112478.301 1283734.549 1102418.158 839966.8317 321536.6904 946552.7915 395954.3614 997227.2845 3720588.776 2268411.229 2803981.393 1312799.221 3509790.394 971185.0268 2660677.016 1491274.463 1697575.267 6390111.378 7511036.289 1785502.46 1017669.848 802325.7294 302468.9736 968239.3275 1056835.016 1136673.008 266601.6118 2249540.332 2080948.068 1034267.024 3502746.072 3185107.815 4595865.731 2109283.349 1496573.473 2137003.445 944962.8415 732905.8459 4539077.043 2922834.559 742927.6569 3319536.738 4262797.38 1222525.305 2000994.58 2466740.697 2034679.983 907917.7918 4970756.986 2243281.225 1001120.597 3236382.602 10225549.4 1000366.208 2290850.932 1299306.244 5975225.24 1385022.717 947266.8967 1255277.048 1609608.471 1045729.941 3328865.764 2457079.97 324396.3792 17411540.3 1134891.951 993192.1003 4007524.934 4527679.145 2767610.899 793616.959 782612.6291 2713599.244 2364276.593 1416205.243 3805061.907 1088280.343 760247.3107 3553428.301 1894225.679 6172364.23 3476280.304 2928240.452 1047620.588 9067286.256 3443192.605 1337011.38 1074535.03 285425.0219 1932888.68 1969220.324 4502225.91 2976485.536 1318739.398 2906220.39 1188419.756 1777675.637 3350526.914 1700484.41 2029957.159 265655.7871 139697.8424 142278.7262 137933.1631 214970.7214 2-methylhistamine 116554.897 531737.0711 793250.456 791029.5054 497781.9479 784390.5611 618596.1142 1670621.367 99960.21609 685271.2356 1537580.612 1328409.112 455230.2031 682184.0884 1268485.536 3788458.727 3268320.116 860371.5915 962529.9079 1054907.852 704362.3432 1585270.908 3715966.356 2783714.723 2047591.541 894009.5179 1300019.856 1015015.48 1157465.854 4863634.975 1045205.7 930279.9103 1302915.37 2222553.276 2318937.956 635463.7411 1654535.73 659394.124 651724.1526 1435752.171 1477498.046 1125605.405 636764.1172 3098445.658 1068010.68 3270486.169 295554.1521 1420458.697 896893.2767 1176508.437 888032.8531 664028.7981 565120.9438 722065.7517 1043550.066 5350138.486 6820231.131 411832.9645 672192.0376 1355295.245 867832.2752 3017621.507 1004330.456 132566.0727 1111223.237 1397519.155 440975.413 1675183.677 793621.1681 4114502.068 400298.2695 778223.3888 1287623.75 2067942.186 1448276.199 919918.5446 282552.0906 199301.8024 216465.7042 985586.3312 120413.1223 120213.4892 929216.9154 491546.3663 1047647.477 909607.5159 150158.1895 578319.9714 458324.6123 557068.2973 890331.9932 612983.6168 225281.5152 938439.6289 1111969.836 95413.11678 84205.07532 715874.9953 999269.8762 114446.314 312925.9368 124082.957 2620249.156 2400779.476 1676737.595 634808.7049 2023927.779 103691.031 847766.7182 1200765.893 1317773.177 179993.175 1330024.247 900435.9642 3616066.927 485760.7658 1050067.662 300417.6748 126802.704 733829.1092 1969201.495 100102.5094 983925.4802 375538.9457 1241597.673 687643.8879 946664.3699 779995.5955 270819.7903 2906911.129 249061.4176 100845.5874 1065090.717 1299952.467 779070.1917 1184340.321 507816.277 385997.4576 767919.3663 126704.5095 329935.5025 1207986.4 3634325.494 143108.9556 520086.765 148834.2735 2681612.912 1956866.983 2851027.966 939731.7554 1278103.054 1344541.567 584825.5283 865121.7777 1604196.925 1743148.856 1443042.716 7140331.532 697090.0734 1087976.763 1106183.042 134444.8082 1407187.71 1594148.429 106150.3183 344609.5622 598483.3739 1373762.619 1252627.611 1725702.999 1257496.48 121119.7645 214237.1722 85058.78283 88267.30951 136159.647 2-Methylnicotinamide 104336.5775 42151769.42 24859666.08 30855736.03 32950486.19 35204919 24003762.45 20507065.52 14106773.85 17591073.5 125546510.4 43606025.68 58257233.93 27237307.82 10308977.99 40961838.48 20585017.69 89404580.14 11415298.89 30317973.12 47556958.1 34873050.82 37111226.94 32893277.83 58621938.84 28330961.52 37117790.24 8767237.348 17054315.91 29905545.2 51627750.02 29387153.98 60782710.45 22363287.24 50482564.45 42374709.57 11374605.78 21094898.12 25103710.11 35441633.56 17198103.64 31807192.92 14737721.05 60408624.49 17543532.75 17100838.64 38464630.71 14607001.39 25882942.96 35539419.91 11572409.43 8878204.583 12789550.19 15247914.95 77114007.9 37627002.74 33818709.15 21245950.09 10853861.91 24349413.58 7086423.026 23303415.75 8960334.654 3839242.133 6039271.572 907545.7587 17437707.41 14617746.11 26716080.22 12553880.91 5505790.948 15544103.26 18217640.88 18078139.41 7559915.622 8197467.862 4418571.597 8685538.385 19175405.32 12311805.86 1210542.919 4351405.842 7071996.846 1315834.406 10078240.66 4863732.618 10385667.75 5864505.54 3221083.95 5051520.05 4129483.219 4567021.426 4141472.374 9818924.574 17459226.64 189798.2914 153604.0181 16646637.4 22525331.68 9874729.84 9964571.932 8534868.23 6190927.019 9113191.054 21060720.69 2524136.044 9727405.684 16404578.3 12567870.18 7176581.082 11355420.82 25059738.79 3642848.384 7925809.78 34101753.74 6339907.502 17099114.16 18318314.79 10843514.37 841389.5055 9568513.339 8291357.009 7952436.126 9712950.183 6940636.129 18217422.62 35419688.16 12573403.81 12785841.72 10431775.92 11040476.27 3404349.19 5721272.394 9283907.288 8099112.098 10977418.76 6301587.863 5182687.173 13521509.73 6961839.535 19110056.86 7527179.282 23641679.78 13064410.66 20170693.31 5169805.979 32977988.19 48564343.91 14384471.05 5275679.711 7435323.711 16883839.87 6561201.447 15692643.5 18740174.54 13749781.59 9737978.384 14091563.03 20079283.45 5669382.074 6727480.957 10214658.57 202797.2156 17329714.79 8457564.483 6388976.483 8158899.401 7186079.217 6644477.366 8214455.267 362998.56 171444.8786 180941.5592 159976.3059 226280.4586 152869.4472 2-Methylserine 203629.1073 626837104.5 642109981.3 678274377 370625207.5 803452446.1 576432120.8 617444242.4 603719238.6 620359927.9 1251951880 578330489.5 789800639 611670797.8 761620799.2 751726793.4 926286697.2 877794220 490707423.5 1149624209 953862435.4 708841934.1 739576817.8 584123929.6 767390503.9 658424782 644903885.2 517562281.3 677720000.5 656050927.6 1345427438 730934783 907905561.2 1013249632 1270380928 861510304.2 1002864549 460484881.7 740777198 911458909.3 662047811.3 541799986.5 678716621.4 572596646.7 692199903.8 603764767.2 849261990.7 915016514.5 609391468.4 650128977.5 977343725.5 511435888.2 498850244.6 770000228.9 781717344.9 739453443.8 621733908.1 558475220.9 565786895.2 866686572.7 823761472.4 1163760827 1020083541 449445905 456296902 490109158 764867620.2 1111295089 708612528.2 530617904.3 710974159.8 554741964.9 570311580.9 595876365.2 786985302 859429034.9 785986198.2 694722465.5 576940813 417794697.3 418313265.8 589902494.2 774402376.5 701507759.2 933399406.7 593241265.2 602568584 975054669.1 896109119.5 543897145.1 1230034871 650974211.2 714090057.6 561592632.9 473946344.6 24566341.08 475742.2098 525809974.8 497318909.2 608844089.2 750559169.7 634235325.5 1145435042 802916999.4 949023340.4 492275245.9 666083035 593838125.2 661977007.8 896374050.6 504051577.7 722556385.3 668856375.4 460322207.6 879512114.1 599669138.5 498330160.7 402024008.1 465887428.5 516953873.3 710719003 618735862.9 714842165.9 531201420.5 965134826.4 606662132.4 833152882.2 991312572.7 665567720.7 707682692.2 769263881.1 444806016.6 586812667.6 480726271.5 649232905.5 914953086.9 940550164.1 857245717.8 742651441.7 463348627.2 1356579948 976962091.1 772964872.5 749619995.8 1028813141 696495863.4 619687934.8 410612316.3 641963668.2 558038623.8 535061171.2 987805638.3 729309566.9 901467832.3 859781205 886742833.8 648354527.9 872603988.6 837128787 1107798587 953703161.8 885948507.6 2281238977 749914240.8 813513389.2 467238494 933390580 704362951.6 588251731 538409182.8 1208645060 291031.0905 283696.2147 264347.294 352115.1081 382702.3062 2-Nonene-4,6,8-Triyne-1-Ol 97999.35143 3816152.994 4169919.177 3826587.629 4709131.163 4625787.993 2704912.344 5002840.914 3468109.409 3303720.427 5053796.038 4064995.211 4245519.146 5765062.044 3622136.89 5603806.477 3969601.87 6404880.045 2290842.496 4549636.37 4909031.242 4647722.028 4995019.888 6069298.313 4438216.632 4487762.502 4626795.217 3818855.253 3727110.054 4817507.182 7932068.995 3956128.61 4690178.329 5323332.31 5745043.645 5160668.773 4222589.053 4976654.938 4764598.907 5150279.486 4344356.845 3655282.235 3907278.371 6132533.686 4328741.859 5764680.108 4928145.816 5232766.042 5060916.913 4502727.568 5745441.986 3588344.75 4082943.81 4640541.658 3578965.079 6353366.202 6553771.974 5328879.968 4934063.087 5753282.962 5751458.64 4779023.227 7228310.668 4009109.015 5727362.37 3273548.06 5457759.114 5734785.261 5805488.078 5085853.018 4438832.482 5153570.581 5434787.593 6644602.822 4490908.408 4134295.625 7604128.522 5922904.698 5996972.361 4641628.329 2670084.39 5643635.9 5655572.101 8764025.836 6400804.52 3050469.755 4508770.944 5251166.153 5497631.967 5381903.173 3642102.398 5941990.743 3961003.725 5620145.793 5253585.524 110535.5494 96155.44326 4946752.731 4729799.066 6297534.16 4986911.945 5140098.886 5593209.721 5670220.978 5853477.584 5079870.1 4971441.056 4696648.902 4714863.762 6028487.12 8146897.251 6622508.312 4724218.873 3556656.911 5044165.959 6766049.681 5735235.002 5341450.282 6159403.423 4886699.507 5017903.385 6262115.03 6756075.811 4710683.414 7050575.413 5571176.366 4945202.138 5686055.765 5695378.772 6421823.545 5756953.549 7159874.802 6372288.312 6469241.207 6297758.81 7920818.24 7244757.453 5242864.463 5840309.059 7543023.028 5214591.188 6403338.709 6565664.248 4615084.295 8985263.542 5471014.978 5412004.941 6176355.051 5667541.538 6427393.964 6703427.002 7619100.97 6531271.334 6773127.979 6807718.252 5384422.967 6119321.238 7764568.995 7102157.744 5194746.539 5587960.096 7157526.643 6713392.614 6608885.389 5742768.321 5357639.101 6036035.763 5461551.09 7194610.697 7138097.693 6889222.244 92215.82596 102442.3563 97423.62548 101857.458 101117.6436 2-oxo-4-methylthio-butanoic acid 111755.804 7858614.484 13427912.35 16158717.07 4730243.954 7410117.978 4811213.687 8182683.579 6545931.664 6786112.043 8003569.321 4416294.353 6594322.29 6348070.321 7803957.526 8727083.018 11361722.75 14439272.72 6070274.812 11505343.98 10434813.8 7630277.139 10153050.28 5510824.519 6325035.12 15407868.9 17862088.13 7990971.339 8989741.412 9281157.795 12599340.93 7395972.912 8053644.542 16864550.96 11518663.66 8079649.058 8772028.063 5948127.649 7047052.602 9158895.808 12546325.3 7850231.37 7051446.268 8784411.601 6178966.758 6197322.881 11740896.86 7559501.44 15376335.75 17391025.14 5763951.936 7133918.105 5252638.543 6220747.293 7671867.107 8085656.957 8158393.913 10917789.08 6060011.055 19418877.47 8705073.351 8005139.668 10855562.08 5637572.609 7136951.803 4524525.879 6629988.326 10694824.25 7810932.836 7170293.376 6797237.579 15082465.06 17699520.38 7723389.783 8725721.642 10337061.78 11899096.82 10899084.29 6130455.915 6174654.155 6664990.405 6251762.721 6569374.527 23613814.95 13896025.29 5360240.474 9824095.861 5644840.119 6659743.245 8401646.933 9199615.534 8930498.838 11920294.55 15800226.7 16720490.83 931783.8784 135424.8351 13809228.4 16986159.05 6110952.988 6799713.497 6248373.478 7342712.613 13768923.56 8513986.759 10978072.15 8566162.755 5668454.858 8284902.69 6854396.556 6542520.898 9029178.604 12748015.97 7272050.903 9519855.646 15246250.3 16804676.85 9399717.294 7171307.222 4962633.128 6527235.987 20920032.33 9233031.108 5085603.686 11351420.69 5589831.413 9586539.355 7780144.567 6873431.998 8981069.939 7312948.921 5586822.356 16962287.67 20190173.79 7178432.518 11026598.33 8824821.672 7454311.745 7186781.881 7976594.796 8969493.209 9115524.784 9059174.494 8164878.768 14690534.26 7414359.141 5402660.589 11091063.86 6005995.922 18204765.52 19595817.16 14489640.07 5618220.639 9145156.405 7701024.858 7891622.313 10238284.42 10989587.31 15478799.44 10484259.4 9308574.396 8723766.469 9770134.656 9339099.569 5768842.001 5126323.153 6884993.213 5681761.725 19643404.76 22225398.24 13393551 114246.0012 116819.0676 128643.6503 120997.7595 153518.6753 2-Oxooctadecanoicacid 737266.5348 8104917.076 12156300.26 7679369.432 4789693.417 5986855.546 4426925.536 12108119.44 7436224.777 2079522.623 8485364.833 7137665.309 4455283.172 2305647.442 3685977.419 11824611.38 12576785.77 5002334.468 1082184.734 3741194.938 5409705.146 12980867.87 6624260.058 5865253.225 3508826.47 12600266.43 8436566.987 5109526.146 5183020.895 7315898.191 18582402.57 3210603.841 11727378.21 6977908.279 8904243.002 17536674.12 2380864.167 3456239.567 12737080.73 7210196.233 7755945.48 5517390.103 12385045.62 5713967.368 3944206.641 6084947.741 21349296.37 1210436.079 11918207.33 7198111.571 2995649.835 5309969.976 10785302.54 5854674.962 1573406.206 5292729.875 4651775.652 8788045.626 8652268.923 7487704.032 11026783.38 14199070.26 7533589.83 11600551.54 16347438.08 1127648.288 4862291.522 8822225.331 3569488.989 7439941.913 4075126.637 8610012.616 7865164.68 3315827.338 1775106.191 1516442.466 2873206.643 4755936.35 9372796.301 7479840.247 10247748.92 11778553.94 7936785.87 2338682.912 11064058.82 2746408.317 6130099.237 7796676.492 4240651.899 2707043.733 3451504.352 8167100.59 2447353.21 11046967.85 6368941.988 1272828.342 298536.2416 13851594.84 6293491.821 6362842.125 10977403.52 8478200.517 11576089.72 4630896.703 9229508.614 5865531.74 6699075.53 3719930.203 31884826.37 14927822.75 3754414.666 23268298.23 35935714.34 12226756.35 7046293.924 15721524.94 9395120.544 2796954.944 18781505.7 7341282.678 6899975.207 10949965.44 34967898.11 1132183.387 14556550.67 1455183.874 25825747.88 10275174.98 8010153.06 3892257.198 4755030.186 5572208.167 14718767.41 9482165.075 675609.0733 12978931.01 4127617.969 4567732.814 9129035.626 14751178.08 12141559.19 3706642.672 5536606.709 4640775.677 1804292.033 4589974.466 10361123.45 7542737.395 10364711.8 15300897.36 9263494.32 13591516.43 19800213.02 7133875.623 6191711.821 12184524.97 10539608.32 5724718.575 6064525.194 2390219.997 4760343.367 5578019.058 10361927.58 15587375.8 6274387.138 10213813.91 4988872.381 9695680.943 16415101.7 10968432.64 9639191.636 297477.1221 220796.9805 194956.0427 269964.1576 240720.7923 2,3-dihydroxy-N-methoxy-6-propylbenzamide 130364.5151 3100590.717 5763381.773 5724671.697 2755916.416 9757297.637 11185469.21 6119913.738 8404013.1 11500608.17 1124768.686 2268425.351 3281732.079 1505746.701 17403776.04 3692712.572 9390550.434 6393314.549 8454551.401 29965584.68 1902070.097 1324614.868 2818054.971 8525789.361 4791462.905 6098804.242 5884225.392 6898381.327 18005373.15 11528823.58 1908479.299 5260588.523 2700712.425 3956755.684 5441291.212 704361.2748 3296793.285 18608788.81 55150449.94 2673207.75 4515969.131 14774469.26 7485579.079 4282448.623 1276880.287 2309039.316 8310232.754 2562244.566 5873304.336 5739814.193 2930745.15 25832887.52 5894654.051 3792969.369 21416522.74 3272284.332 4836818.476 24230809.42 775804.9974 595732.2263 4740564.001 9970916.342 11592977.58 14951046.13 2244793.767 5373873.878 2168641.605 16875843.08 1136992.301 5574808.07 18565309.55 5870572.043 6770139.812 722423.8951 52567552.55 1887779.197 3269591.319 4350622.033 2295047.272 5353120.319 2954352.996 4154360.55 1267578.538 2563788.469 1972890.311 7941358.853 17387304.28 1794068.037 10143716.36 2482311.01 60809928.21 905724.4268 3473518.165 6498246.567 6276673.469 163981.9662 187173.6673 6369858.093 5565841.712 1761140.752 1166380.399 14228963.29 3155874.758 1997732.404 1265088.854 5965209.772 4077105.268 426889.394 4939103.721 3058417.885 1453064.688 1555768.886 2005050.214 18174985.96 1698632.026 8022362.067 6697916.147 3968242.601 13603583.97 3586765.484 3025613.166 2231234.017 5209109.587 2275733.208 4702638.895 4393413.114 2214832.477 2424158.795 1915244.619 9005228.775 887822.9997 2932727.271 7306002.447 6696163.068 692966.3704 8774891.233 400503.4615 23103014.82 2776818.213 3790431.743 1513431.948 704201.3545 13294376.63 10077962.13 276634.997 1542692.461 7838619.171 7502544.9 26332873.69 7216418.012 7634783.588 1253240.016 9215463.277 8698104.726 2211897.228 523499.4207 1130688.988 1959293.38 782675.9113 2333057.758 3374239.638 9622345.238 1418655.69 1273253.905 2153880.308 8831855.353 3942342.947 2006652.22 8416990.141 9089955.835 3416718.932 208569.275 183508.7088 181977.0744 160775.7607 152637.8919 2,4,6-Octatriyn-1-ol 302707.5959 17584613.8 19525737.21 20608587.45 20617581.31 33318831.24 14191794.01 27679489.64 21810284.29 12675473.53 24066105.21 24369720.63 28069307.14 28213545.82 21519225.9 26253545.62 22952275.9 41167927.05 13516117.56 26125476.89 24646232.1 30218455.26 22329838.71 29995993.76 20029160.94 12071890.6 25380625.29 14006452.36 15772807.19 23506152.77 39477218.33 21814871.87 15755660.64 16375523.76 32938763.32 17436187.35 20412683.54 27563070 19004571.4 27161661.49 13215772.83 13139558.26 13632702.1 20722926.22 16559620.05 25552386.95 22091489.1 21943732.6 10515472.45 24732878.75 11374133.33 25829715.85 20484432.56 13444080.3 13845711.9 12642606.24 7704821.168 14810722.58 5850330.544 30486611.51 10235837.64 19901105.95 15101536.68 10685864.37 12213330.72 5842827.022 5538562.161 4510628.66 16094865.69 10164547.67 9636119.453 12853935.18 19100569.16 16697133.29 7719676.526 6242669.278 13127459.46 10059728.17 12174842.49 5531732.282 7211600.206 11874125.23 11943537.93 10555196.14 20985335.14 5579760.524 7565105.61 9177913.627 9173172.295 11791275.91 8433701.725 11969512.6 3657748.775 13744082.67 21579184.13 291769.6476 253694.4725 21748450.87 26824833.04 14536236.87 12883590.13 9182117.825 8014191.581 8488368.748 7618225.286 7240762.485 12772868.69 9084200.339 6154260.336 13985510.65 9434022.578 18801895.21 6005061.775 6550865.659 7929585.543 13001976.51 18237255.11 8687252.573 10312261.54 9796857.225 12242939.32 10696394.32 15492199.81 8100421.74 13532792.68 6995482.316 11960998.53 10201240.95 9957041.726 14232755.58 11935815.17 9042433.038 11789821.9 13934720.11 9047597.862 22303199.88 15115109.23 8704153.31 11979124.17 19306218.99 11883823.37 15935478.86 10589641.49 11655765.17 16095914.98 9251037.644 10507120.7 11395745.89 7606042.836 14351052.33 15877093.13 15232730.77 12254405.11 14760012.58 11440946.84 10369187.29 10548105.46 12393584.66 16566875.53 17164973.56 9738760.342 14046560.4 10720693.53 11477295.59 10892777.9 14206016.38 5543878.747 10869688.07 18722959.87 16456557.07 10849702.54 244696.2177 285474.1755 277390.3204 250433.0809 306831.2141 2,5-Dimethyl-3-hexyne-2,5-diol 83535.12062 777494.2316 206693.387 680084.3987 2665592.606 930165.2517 2865354.36 1825292.814 1472766.472 333385.2745 1600027.644 78993.83772 525081.6039 732442.509 1658573.271 4863771.451 1518052.052 9086561.665 890991.2685 984076.2423 1013721.973 1927290.819 7225464.071 5981608.28 7519171.775 659038.266 2077690.383 616785.6533 911581.2773 2282649.336 1411409.523 1310952.462 2148372.373 729437.0188 2069683.67 405991.9995 3111798.634 5952725.3 1117255.483 1026482.347 5708984.104 4814753.708 527193.1398 8670804.364 317043.3606 2405280.982 3685356.732 2027677.539 1358516.117 1928169.072 1166100.2 3426295.082 565071.6192 2342953.789 1589680.268 2596974.103 2971641.792 934129.5432 3927088.035 1283405.421 1164157.445 1151605.936 1547061.081 143264.0944 1695532.48 1184582.54 95950.69328 2017843.209 852380.8771 3460119.167 865580.9375 1469374.265 1028609.461 3622372.146 2213229.686 942671.0436 690295.04 2213248.004 774312.0651 4749929.523 2958933.203 528586.2175 1481397.231 269101.1428 1075090.313 869892.5615 2376760.714 913377.8644 957920.3619 599706.3938 90466398.1 1124434.816 1797701.139 1254414.421 1661607.589 66735.87159 69029.36031 1151399.176 1010824.926 4923208.871 3076183.306 872051.9303 619356.903 419046.0867 252017.492 1542887.272 910162.5092 2405240.815 55203.74202 168067740.2 816516.8509 4997752.365 505418.3254 1408771.572 3397313.598 91129005.42 96517934.79 1553938.6 5169328.478 3997934.295 1115232.774 457811.996 83931203.53 507259.6589 991956.8617 1064436.794 6132130.634 418691.9859 2460082.24 4036783.578 582766.5818 3100884.865 1421890.232 1623780.991 5431097.129 1451246.351 3552153.196 2641610.103 779354.9295 3152824.796 578117.1437 836453.5637 2000721.529 1991291.548 996066.5733 1206160.649 1667564.068 4732552.781 1303896.333 1295333.668 1401060.733 801418.3704 61765.59813 1369531.104 1412227.966 1322787.48 554985.9066 2787893.138 48435.62164 126692.2726 668194.4354 717619.2292 917611.0748 1091687.638 2632334.93 1509847.409 759636.0167 709607.0394 61605.37334 1573998.005 1807887.332 69784.87625 74265.5588 65536.13285 71803.26991 77010.4075 20-beta-Dihydroprednisolone 110890.2205 2765303.808 2688450.04 2848264.151 2581081.665 3334546.465 3105409.053 2276923.949 3775054.235 3365827.944 7915494.403 5416803.838 1956738.135 274691.3552 7116676.31 1470991.245 3733417.498 7238913.293 2604125.897 6817465.48 2150081.324 3870646.936 6894640.918 3713147.852 7212288.432 2583502.017 3415023.82 2442835.554 2197280.836 2611856.635 4367544.034 4587862.178 3727384.609 1427289.025 1896321.584 4402220.021 3106369.872 6963332.533 3399163.686 1068642.413 3704649.798 3776643.932 2791371.198 3728238.105 2452834.719 4353767.898 3211148.958 3930925.138 2966231.363 3475923.341 1065113.398 5837414.847 6036716.311 2452038.016 6171936.089 7352811.775 7467561.168 146654.5611 3686498.668 8509578.327 7544340.321 2118197.01 3639481.185 3384311.262 2988309.272 3921634.259 1909838.963 5249842.046 2333494.801 5921920.089 3494511.293 3336736.792 3658992.289 3839884.877 5726799.172 4069232.179 4959608.442 8267134.445 4423436.763 4428737.569 2089011.656 2325184.651 4017604.298 3317055.282 5643392.827 3053424.952 5162049.149 948116.0938 5436131.636 3260969.533 4003316.724 7271250.366 5355535.339 3340638.643 3265899.667 139002.1448 119270.4863 3314770.856 3534248.103 2592070.227 3081032.873 4554444.622 3456695.114 3746904.363 16679241.9 6874794.074 3004543.995 7312263.925 9059722.696 7707174.134 9007882.859 7788393.893 1817569.372 2216761.565 2659185.404 5165799.297 4475250.655 7670660.232 4966625.943 8233279.576 4393995.314 2357898.163 24485696.8 3915446.867 3441858.009 4589371.038 15920852.25 3302984.794 2588430.515 3773551.598 3741721.778 9415620.993 3598613.02 7949833.325 3969653.171 13155048.5 9439921.121 337723.8146 3271590.736 9224944.597 3748995.953 4371051.564 9699978.588 3396045.052 8342457.882 8045463.128 8538456.353 5836042.667 2964242.292 3876441.063 3565168.05 8792008.634 2336885.864 2386904.913 7302065.146 15213684.19 1832256.642 11422953.74 8765043.729 2258528.456 2992268.064 10053924.05 3406690.301 2443306.898 4631094.124 3066371.33 5703094.611 3716824.519 3862945.629 4034238.709 4931475.512 163149.1093 139172.695 153896.9526 132824.6787 145872.5968 21-Deoxycortisol 407147.9289 262505.1152 195069.6605 661813.6033 2791340.159 104746.7217 1014031.833 216902.2768 1926222.053 2873805.544 732956.5261 196186.1953 410984.8877 396381.3042 451467.8489 734905.5656 3839600.547 3119830.395 621173.0071 256358.1199 1964767.137 1023304.831 466081.4782 103459.0813 253455.4789 533250.9325 527376.4093 341114.7929 367438.2284 2252770.825 384199.0297 13685715.09 2462822.657 371348.8527 163153.6708 227583.3152 191097.9075 645545.6614 344464.9578 277966.6012 607909.2 178224.6791 102950.6736 846433.7076 204407.416 567165.2545 125074.2252 2141889.935 575882.9572 547032.3148 207367.2858 103953.6673 158592.2025 645799.8132 619205.4041 783406.8864 2645128.437 1683830.6 1110973.008 15722140.01 469191.6391 530304.4455 598979.5082 111078.1389 633714.5234 119289.2701 109591.878 778428.3855 1613197.208 3805855.443 108077.0482 746349.2842 549618.4416 579909.5822 1274262.4 476674.3317 221375.5149 2388590.68 104035.9238 2942707.375 168164.407 4877278.022 479244.4694 1479451.018 1333401.678 902140.0046 5182639.33 121597.14 295807.4445 1770342.651 343717.0854 408705.5843 218134.4726 284208.5001 303790.4578 101646.6031 468858.1134 409889.0948 438150.9718 1748938.637 417907.5534 127220.3653 132144.9404 860952.1666 332543.8412 497627.0672 885652.9585 2488020.278 239564.3323 188184.8992 155334.1333 2009772.378 591829.6859 205413.3536 552333.4295 799840.3963 505122.5419 148884.81 368955.2175 301060.8958 2668194.079 467038.4399 783170.1529 2596087.189 461376.1641 2653859.726 1413766.94 147011.5503 352228.8637 12430291.47 321279.0259 415471.2727 567466.9054 577959.369 575967.6518 1724213.396 461921.4032 242729.6659 377858.8782 409953.456 205117.8968 1280552.771 549290.037 460301.8654 126563.239 181289.0683 280812.1943 13255442.4 328944.7504 390166.5651 720385.4486 394669.1756 302743.0704 152429.7392 2434450.772 379755.0649 290807.6159 835957.4667 578739.6819 180215.9572 971298.7806 652841.5631 3110759.571 1310501.181 1852067.564 9764536.859 418488.521 262454.2412 518756.5889 614751.9347 482785.7119 538939.2991 458493.0325 371864.0984 283567.3384 318007.5372 26:6(8Z,11Z,14Z,17Z,20Z,23Z) 48418.66642 452461.2886 434233.1391 399842.8413 1469043.965 576934.0191 318583.496 2739051.049 742294.9412 817820.8277 383666.596 804019.5169 313232.8796 526227.4125 517019.0541 575623.0287 681861.7338 2158585.122 1134136.331 1640836.214 384274.8977 348001.8089 185899.0886 612174.0952 263572.4311 450413.1742 423005.6335 431195.2354 900225.1124 530134.0571 995554.7202 497657.909 1011545.605 431752.1323 1512698.676 378130.7503 555957.1401 1018296.807 868430.7515 316768.2772 406048.6839 1308771.638 342069.3273 843604.7205 1001290.246 1240113.856 721741.6498 597345.8484 435037.8939 383026.9827 948558.4064 1333883.349 818742.1415 1050111.174 781793.589 1024087.65 181319.62 1162198.99 604039.0617 385108.7823 463820.2012 789215.2852 2705987.12 358925.6576 415682.3957 1769543.282 661457.8207 461598.2326 284206.5575 301251.6378 1006390.436 437653.4794 529310.4846 830360.7513 433520.349 431372.9627 1128608.398 364160.0296 774694.056 1177671.346 330444.2715 456121.2091 319634.4922 426690.818 712015.6618 690986.9135 875827.0059 478908.0598 363291.8974 936530.5688 2983171.723 942613.4753 1150939.524 366982.6033 485448.1176 72962.76228 52398.24477 370727.4634 426938.8426 380375.7738 92199.15689 367068.7894 296644.0021 225141.7018 391057.3498 1563000.579 553260.4123 235343.1423 436756.6048 478289.83 632229.6985 732992.1719 1454245.258 1136152.533 146091.6658 511093.5878 495769.2389 435690.9311 291049.48 464419.281 667120.3115 592036.322 1581510.647 633021.3401 653476.0181 193231.1362 471863.0884 741994.2137 275602.3343 222329.4619 847373.3107 214702.6111 598268.3039 521630.0162 416974.3887 1795880.995 481404.0497 672448.9039 356131.3724 196544.0658 462381.0839 304624.8885 275949.21 921873.8004 743004.19 423283.1556 1191442.184 1024702.332 415796.3918 434141.1336 526544.4678 320535.5696 640197.0979 1014056.395 920174.7837 856451.8726 967145.0577 413267.2034 232828.2178 617529.9492 1522960.164 374403.7331 309528.2554 588348.0108 394201.7909 667365.7472 740558.8123 462004.8882 410117.2009 358654.3729 468611.9996 59039.31355 59549.15528 62246.12871 54308.02574 64814.12577 2S-amino-3-oxo-butanoic acid 251283.3377 4955187.06 2758825.301 3044706.347 8610501.373 740200.8663 6561089.203 5626180.492 2689503.738 2399245.424 4403609.233 5078278.797 1390875.035 5467656.355 10574819.43 1696349.292 2015156.481 3343143.212 4229004.168 2511241.98 3603919.048 1900211.744 11423980.74 3497147.049 13823228.85 2878917.269 3511808.684 6786260.194 2402925.549 1667466.913 1515234.651 6407988.751 2402130.83 4504194.538 1195805.51 1834112.365 1624672.698 3557528.247 1767766.777 1941574.911 3609222.728 3184068.713 2768654.605 5700193.449 4740477.697 3695157.682 2497249.662 3165576.489 3298991.469 3249738.886 1946126.149 5754579.449 2228876.364 33346802.64 6656600.101 12137109.14 13550286.86 3392769.92 7109232.618 2550703.393 7205442.689 3371540.954 5906498.729 1681315.453 2089945.181 11702646.22 11641016.22 3766177.175 3289683.058 6337662.885 5587655.805 3230389.869 4062307.587 2528927.138 4944750.535 11039954.93 3568920.784 2821751.524 2333057.245 5563641.555 5273275.681 11772516.91 8102111.847 2842523.068 1970937.537 3318372.511 6205379.159 3393574.469 2572499.245 2050263.41 3929054.428 5050888.737 10843503.62 3505019.727 3590613.377 239780.7787 219151.0586 3191424.735 3403396.532 2738978.536 3008006.567 5027750.252 5744257.389 5361840.425 3286336.607 4953271.585 6982429.907 7271803.901 12148956.54 3445753.295 2546898.629 2572006.47 7538620.094 7388629.547 7166757.14 3899772.093 3630428.165 25518067.73 5626328.285 7228492.484 6812916.516 2807957.926 5088087.991 4957626.06 2123537.851 13796125.22 3931527.281 3851668.673 5229120.475 3464583.514 3837068.037 5772336.347 3952796.819 3755031.075 2740179.729 41793962.78 3086308.886 7112258.705 4377128.45 3596792.922 11508617.07 5087725.076 13946308.8 5638511.699 2223040.959 4674278.46 10781438.64 18975243.83 7088378.327 3924752.955 4165023.519 3061423.349 1354917.982 4517873.766 3233109.858 6347723.831 2951126.359 2497194.993 3655711.339 2012327.066 9134364.511 2514386.916 3819676.463 3271822.696 2294459.688 7791205.524 5142364.362 2844661.939 3808277.925 4744572.05 8304686.174 238323.1509 216780.141 212423.1922 209046.2328 255405.4638 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 261509.3067 1001455.815 800693.7297 1682421.021 479503.2361 406524.1911 2489781.644 2389185.609 957554.8633 1496492.835 3087988.195 266059.4466 293861.7004 2599928.009 2366407.57 585506.6846 1087459.29 4027835.426 277158.6914 1113808.433 7509700.412 287704.0212 2176243.804 254039.9242 2790191.511 524819.622 1412276.216 290861.6941 277383.2146 1982929.59 592956.9095 787272.9343 267277.9401 1559570.622 742758.5273 1832409.907 893791.1605 1192382.249 247177.8066 297719.3269 1670125.921 316402.5784 976360.9006 254819.0169 2218254.439 6830679.757 1435843.862 359740.4586 495125.0252 1304827.732 309668.9874 392589.211 281454.0005 3578273.838 301028.1575 2923239.565 3502703.127 336348.6351 3125189.786 4679676.457 686383.7377 285093.8476 9292763.516 2171905.175 241390.8262 741232.6596 375881.4102 4647448.668 1910329.016 305540.4227 1587407.793 544336.2025 1521642.107 3029335.151 841990.0323 886175.8555 242414.3049 816660.9807 1956690.226 243074.7135 1257556.913 7672111.766 3535946.592 7934808.91 1058491.388 2710464.843 707559.2402 732976.0057 589851.4204 216825.567 257586.2653 1107679.75 253380.3856 890271.6068 1652890.393 352377.1487 294869.2545 563193.4671 1454595.296 212106.8249 230800.6602 549868.3599 2122549.98 206687.5106 284088.3589 2176036.931 4513547.735 741284.3721 655352.5791 591173.9098 1970766.095 294769.5114 1441385.363 228728.3531 1826470.671 524332.4586 1605532.225 302353.873 1619632.86 244010.6466 280326.905 222720.0634 5888660.346 1376425.196 507063.2725 3150583.182 604003.8139 2616212.923 1342094.305 26684247.65 903872.8625 4951430.943 563822.0236 1254267.656 556234.2552 1679898.088 948497.8073 596293.4634 1285949.244 3498179.115 1144299.342 5167450.083 49387553.18 412512.4083 353643.239 770331.1955 216424.0769 701438.4204 1173749.309 721251.5018 2087216.999 4647780.746 225034.748 1230623.949 808962.2884 4299580.287 499555.0245 2162529.365 1973295.179 8171785.348 1336051.905 2298508.508 3976224.12 1517291.17 302212.9404 625196.0151 314914.8967 227697.3933 613997.6344 1252218.688 1896039.183 252358.5817 234449.4919 271608.8393 252547.142 244987.5512 3-Dehydrocarnitine1 45469.71658 12929522.75 19151185.24 25124440.89 225586.4239 1518424.856 8526286.506 8387683.728 3176902.43 23759651.15 3734419.122 13537273.9 1158454.521 5955490.798 8772102.044 308563.1017 829487.7247 28938873.75 3227602.352 5059154.245 2201843.784 1713662.251 18641318.13 1027828.508 4577970.939 20274166.86 27928701.8 131962.8444 1765683.503 4884595.354 1975952.016 1358735.426 9631656.063 2132052.543 1799473.435 44982971.06 9613945.371 898436.9219 1859857.65 2517085.454 23864639.87 2194270.695 1742727.02 8543361.222 701869.6964 6613335.869 9344860.294 5000812.241 18633614.51 27018530.75 1460926.94 2364508.732 5075940.605 237112.2163 331867.1008 3165903.629 33351028.78 2643607.433 1843730.38 3157641.962 2594027.154 162801.6492 1184694.785 1379639.241 1665281.876 1867311.607 540821.0314 1454190.858 222379.3408 376220.923 3171877.226 14061167.54 19072158.96 445794.4556 630207.4788 1003390.028 1414831.691 1962232.177 1278415.242 491011.951 25540524.21 2831398.736 939099.7252 790206.3331 2704488.535 185147.7036 6200432.131 1091996.606 12809040.9 3980930.343 16894024.2 5354241.527 1054750.292 11778329.25 16923546.08 128145.601 135679.7043 14609150.61 22656014.24 6355915.536 40860739.84 6402511.883 968903.6713 522465.8895 5096986.093 7086710.621 8291616.922 1456535.348 6122228.784 20677147.65 721550.6573 7323447.312 160011.9746 869550.0983 428255.5393 11093294.37 16078384.79 3010750.942 5351630.135 4866243.252 12143673.47 1403226.101 3212753.054 550036.6897 295163.3806 2756721.674 5281042.774 648045.2001 2322363.531 18566496.85 749785.9633 1866814.245 11807348.04 16566024.32 3965787.142 3498098.51 37904301.67 1569323.904 1992317.414 10617438.87 3396696.896 3876294.113 6590945.911 1924261.786 354638.5896 15761987.84 2952369.178 566912.8298 978322.5465 13391196.18 17577728.46 33663980.6 363712.8468 7468526.866 242138.2726 3055626.398 4849936.9 534941.6054 3569284.012 3342544.961 1030300.955 10058705.86 3929105.843 1705897.415 6643204.599 12028934.28 364405.3605 24187190.18 16417026.24 24798782.3 9382932.459 125602.9705 107274.858 118835.028 111756.3921 112445.2567 3-Dehydrocarnitine2 168332.0621 3131003.097 1962090.698 2305558.664 11979187.06 2697551.658 1946739.49 9731349.375 1570700.543 425849.6155 3753581.764 320299.7506 549209.9789 803962.7995 849379.7752 6950004.314 2823121.588 6595778.475 1982408.387 2748723.116 1058375.621 2446263.833 8701195.006 9258611.712 10104575.3 1699759.145 2268750.461 359823.8544 689751.0067 5315182.22 2144226.037 2374195.639 2524488.051 957924.5808 4057830.12 743846.7616 841118.0706 13550715.21 1889607.129 1529351.05 138507.6043 23053406.33 457275.7562 25764184.61 817993.964 434375.2656 9516982.442 2156307.864 1422811.328 1888219.259 1755928.156 7927365.264 1860275.197 2226158.027 4411245.002 2883438.154 4305208.602 796357.6161 8360113.149 2216481.873 1105831.347 1331332.959 2518440.7 639226.8063 3526754.513 971976.648 2438279.605 6238026.216 324469.4839 3831089.166 2007097.456 1258363.838 889154.4144 8328557.867 4887882.274 344400.9649 957853.6646 6394051.84 775857.5393 13953963.59 369495.0001 1542313.393 488965.4034 352061.7198 3174975.362 766068.5642 10327112.51 351121.2433 1596217.066 1277218.028 1800145.846 1062353.972 3388832.664 2007593.16 2679023.299 202611.4205 187212.5279 1516360.028 1493174.049 10310996.44 1003180.681 1468077.397 354590.7872 345290.8109 13247221.83 318481.7736 729244.7893 5326087.923 2667566.567 349585.5333 1372104.952 18595919.92 557354.1902 1828228.994 6709115.286 1931803.366 2459830.551 2930820.737 13026430.65 4876534.447 1791752.977 313232.9822 1393465.048 368979.4455 2487632.389 1546746.172 10757981.93 902232.459 5829488.343 7917735.575 1036739.645 7103020.449 2734485.814 3164437.867 16165224.45 3373509.701 7470083.672 5160182.1 1770987.412 11697196.46 525903.5437 277733.6714 4849344.829 1775983.433 3215886.428 1030729.444 5880978.366 9742396.575 4851419.566 2600036.271 3607164.072 2693160.109 1604847.263 648781.1762 4428599.383 1718597.482 1544854.701 4570121.416 4440407.021 284169.4383 903848.8316 2059257.831 3710135.028 2248608.573 6493134.519 5200657.877 1225317.299 1199779.798 466433.9281 1833952.271 4478368.739 181085.5679 186385.5113 192915.6885 179570.2829 208775.6603 3-Dehydroxycarnitine1 1244745.545 163636857.5 148218623.3 140824283.9 230361013.2 177405364.1 102349148.7 39236146.73 46255371.4 216761319.8 201926029.5 158640983.2 168583029.4 263137170.6 203264766.4 235539915.3 113391677.3 36542921.25 153861251.8 230617481 289256966.2 211352784.3 260527743.9 251906124.4 233752032 148511580.7 139628616.6 261420205.8 187991562 210739245.2 333301689.4 231174455.1 294655987.1 254183254.4 192843945.9 158430312.6 91310875.05 201402952.8 264115978.7 210740982.4 85575162.37 272087695.2 216834160 168067912.4 155142918.6 95403580.67 123631690.7 107336935.3 128076255.6 124850458.1 381263656.3 241368199.9 84886607.76 186447776.5 167497809.6 188251261.7 208703461.4 199383914 291341230.9 136946387.7 174073227.8 190271745.7 300689555.4 106035358.7 127075595.5 172240711.5 177919752.4 207405803.6 223928914.2 197111100 216393187.3 106654352.8 93267556.7 256742908.8 127120094.2 197975995.1 335488987.6 193774297.1 99635262.04 231005249.8 56620278.22 131151009.6 186233262.1 435319548.2 156556951.8 229762238.9 164227164.1 128171883.6 150102548.1 138285616.3 99888411.51 124403378.5 155476909.9 109205129.1 90745476.82 1247435.52 1233876.676 96739510.17 87447557.85 103054841.1 67711190.14 204965056 417910421.3 188337081.2 241100475 108735798.3 128257119.8 155241235.2 55028119.74 85541303.22 210738636.9 91803826.67 169294940.4 266488056.9 276109462.5 105029376.4 90337356.96 158806960.4 77770239.53 246776027.5 150265468.1 180590674.1 97450325.13 177665891.3 256466450.8 198035243.6 80195693.82 209904774.4 147807981 105675111.3 215368341.4 141496019.3 115875677.1 89294796.96 132236447.7 206908512.8 165520151 214820161.2 112255911.3 100027440.7 320663887.3 192000451.2 128627942.9 147580117.2 175912632.6 128732767.8 208252439.9 189246780.7 192467966.8 109289453.2 96819338.99 156236659.7 119336871 129663696.9 163753151.1 108583280.7 156256451.6 307458729.8 193603966.2 254754903 340128455.3 131343925.3 158017757.3 230416956.6 177446352.3 93087302.08 207563231 77784089.84 119920509.3 106188641.4 136087974.8 1396420.445 1252863.42 982026.4475 1078480.623 1174642.77 3-Dehydroxycarnitine2 272022.4706 3665765.987 1787777.615 2669262.377 1265304.065 1033252.461 14612680.83 95380880.65 5473575.991 3428663.963 32082024.74 1635274.88 1577967.474 260909655.4 4026581.22 12755791.94 14182254.97 66020374.19 1101754.597 519214.0102 5741700.014 4499401.327 15371946.11 251695063.2 8814951.153 2150379.027 5337257.965 1751124.741 4493004.398 1186856.935 2971411.705 5915519.205 2816476.852 8069750.829 2785504.599 395856.8152 190129.3184 4067248.367 1727429.618 2523931.135 25213011.37 2161532.659 26060307.29 701111.6971 19627923.4 371011.5304 4593151.779 2681575.002 2970733.459 4959247.328 5145520.873 3209361.98 944161.5095 6668335.472 522360.4595 7246888.369 4939747.516 590627.914 3903903.873 49313291.33 8185267.14 803962.324 5177905.879 6592864.183 2849058.318 9501570.451 852281.8335 32861451.4 166124.85 6862684.418 2757718.96 1707255.278 5621216.444 165446.187 5653936.61 8358631.449 2089115.774 218858.9435 4863548.883 3711058.363 5625803.925 15140491.25 8010288.941 3086349.234 319429.5437 4435887.347 1963902.302 510612.9684 3258497.581 1870029.326 1706270.136 4643245.431 1946985.374 697233.0348 4323623.855 248684.8212 304932.6582 1626693 4316136.204 1657647.644 175912.2867 1349828.362 172911.6178 611817.6464 195823.6702 13599737.1 2875990.491 21427786.73 6404129.637 2602079.29 204830.4883 1955737.585 51554546.1 7060786.498 276320651 2724567.867 4486556.298 183887.4788 6979158.519 5095746.281 210776.7227 214107.7136 2341600.279 182791.5452 716497.4061 33546975.65 2062730.754 198123.5603 4933744.935 5789481.376 1542508.812 177708.771 1746411.625 4427119.681 2051873.847 12858564.68 2339650.69 4832527.346 6673103.539 15094458.06 1678605.834 4297592.024 24517428.3 7226424.825 171508.1774 5313319.925 827504.6795 6007716.811 3460760.488 1681985.116 5422715.115 13477362.95 156264.4871 2133217.042 1091577.75 5229735.445 152359.1399 4655051.554 2808205.79 176422.8343 1989314.438 6082999.787 11808134.48 2095044.375 862192.4907 2430034.193 2218548.662 243145.4188 1694063.469 4524183.689 3560833.423 262135.4033 278632.1993 265160.525 372211.0989 369940.9613 3-Dehydroxycarnitine3 140336.6952 3926907.812 2556203.116 2949085.045 2820887.517 1749981.375 2704943.08 4038891.821 2897041.731 5347059.052 3384764.043 1983272.119 3829069.062 1644492.611 3857393.455 4098413.878 3535245.972 2929702.515 5533015.504 4239885.193 2227801.294 1648633.469 1702677.348 2728063.177 2385382.384 3862245.658 3356887.444 3234227.169 4433005.733 3920408.724 4821264.256 2039732.342 3894654.061 2008471.495 5267568.166 2391112.892 4310661.894 2148680.972 3769533.965 4607327.795 2868135.762 2674245.649 5705394.015 2201705.772 1966247.482 3435142.075 4480336.807 3578022.8 2991673.132 3089472.013 4340538.745 5014429.599 3227574.487 2290937.844 6048951.513 3942807.543 3810964.802 4345139.168 5220519.683 2687802.411 4503377.006 4227610 4052092.932 4021874.027 2978418.947 6318545.517 4764394.075 9457195.575 1942043.108 3937384.943 5399795.401 3728994.878 4300762.157 2320171.574 2256847.451 2629176.02 2151406.013 4071859.472 2081857.144 4034881.567 5891587.433 3518606.422 4121613.038 1371493.011 3452767.828 4430234.865 2022424.375 3562605.618 6615046.008 6217118.954 8916404.903 5729826.92 3930516.416 4556310.754 4560069.752 143004.4216 143201.7783 3598709.326 4216444.047 6612793.08 3252830.392 7008264.924 12900782.22 3206422.646 2689528.323 3787615.513 3006602.606 3393633.413 4175580.97 4407430.034 4264697.737 3686503.722 4596251.222 4529050.57 2710486.578 6054244.78 5013438.472 4514502.713 3304768.47 5200061.308 6396542.369 6256932.105 3048775.335 1763803.844 6722185.131 3289931.054 4335760.903 2309175.986 3414082.968 5277036.782 6234485.095 4441553.371 5144628.321 5942410.743 6833273.253 5681751.818 7911368 6450735.145 5005016.675 5043064.537 3139210.732 6338051.806 8462077.765 6158328.1 5942921.488 4708932.859 7859745.144 2666734.83 2645036.25 4553457.23 7419239.119 7227141.564 6116351.931 4314503.822 4305925.854 5064718.369 4562624.265 6506742.812 5441423.109 3237023.266 10429015.19 6754611.078 3339045.509 4705712.292 4622291.923 2050415.725 4806538.386 3250716.676 5273714.299 5299684.672 8711247.322 136942.7197 140170.6514 228011.3783 127932.3772 139365.8013 3-Deoxyvitamin D3 801950.7666 117957377.6 247990745.8 280083701.5 84842757.59 77252150.35 131573267.5 158187283.4 118800696.1 85395089.73 114920572.7 146979742 155354538.4 78800399.01 102984753.4 108073605.1 112593015.7 94921456.95 175015662 177222207.9 103640884.3 129095033.5 129691193.5 188843820.5 130369695.6 248005751.3 306432744.9 148157936.8 110247525 195618966.9 98726495.24 106955242.3 111984796.7 129399831.8 108934995.2 96152646.09 54780665.91 98666316.38 178524261.8 84953855.18 105617322.1 78914291.62 116209437.5 127142757.1 85516363.12 63574929.43 100750844.3 65342325.01 156135828.3 208297601 75899624.58 86483144.53 136598821.3 104730817.4 97960840.78 101794051.1 109275190.8 122397120 73144031.03 76559309.76 76797995.57 131448506.9 107180729.2 166148496.8 82521668.67 54694818.66 81661815.38 69623773.67 53308282.89 44726008.88 103288478.2 92945626.84 56543006.12 57638941.95 106302381.8 37476063.41 65551941.46 48424438.34 62344753.23 59334329.34 126328113.1 40038160.2 60950433.69 64502373.34 19701961.75 57175088.99 49031120.44 56249835.32 37061398.3 37558688.9 47336122.65 27883034.02 36600230.68 42979392.67 34989453.13 1320321.953 390281.1798 93107712.97 152415595.5 70445779.78 85578159.86 118772846.4 70264515.4 70338464.61 55844097.16 52261144.48 55081735.76 60598622.14 127969321.2 93650648.52 68351629.13 33897690.95 64071954.85 136855102 73328078.1 129233535 107043933.6 74534047.09 48194641.61 14923073.39 38184505.83 49487451.11 63826098.08 48504467.26 33650374.19 45211939.47 75730282.68 44669487.28 29279302.83 44674030 32689240.73 54258081.82 28920513.23 35177086.26 18673319.02 25959735.96 13307785.09 34019262.67 40410923.82 20905263.57 31833169.82 23048732.43 27877786.15 25082271.48 26559260.99 15350525.01 25428385.38 22992037.74 44238059.47 22598341.72 34184883.29 22446040.74 29811768.11 16496898.64 18200441.81 10600486.67 18964762.35 19248691.92 7988028.826 18925639.23 20867789.81 12832133.62 11491622.78 13220656.87 17459212.74 34440257.71 18297245.43 16944884.99 239460978.1 197672758.4 6541497.605 357057.8428 321695.9117 452323.8311 346269.9976 355720.0833 3-Hydroxy-2-methyl-4-pyrone 136124.0472 1847058.13 1041446.66 2007866.781 2075639.711 5436964.23 1580912.724 1530112.407 1403050.685 3953791.814 1722954.132 2836209.966 1931978.456 1689883.809 1597661.995 1802947.777 2119966.298 1798183.478 3622869.383 1248796.488 1811735.272 1464192.301 1597816.382 1794539.802 1676454.227 678691.4007 1256903.282 1562949.195 1190701.83 2346776.938 2138444.38 1744855.108 1500418.276 1566705.823 2012704.293 1385038.79 1274713.742 1206429.504 1407331.324 1294075.225 1831867.018 1701784.605 1397581.28 1500320.444 1575566.644 8865900.737 1311464.55 1794251.255 698716.5232 648660.7665 1811539.495 1436792.827 8059944.358 1857157.586 1424334.79 1721971.423 1938377.861 11822321.93 2110718.82 1594256.688 1610018.775 1730551.482 2084503.021 1854299.719 2172877.925 2061915.188 1877352.245 2639080.042 1732443.891 2285623.164 1760951.687 511344.9702 996245.691 2410602.973 2132960.281 2893928.948 1653353.24 2887265.868 2246021.787 2017598.823 1357165.623 2074975.41 3380098.178 4086509.414 1771070.514 2604209.3 1566603.849 2032068.576 1666408.011 1461434.464 1804224.118 1270907.737 1743344.375 474011.1986 876325.6924 117407.9834 116018.8327 224614.8775 692773.4352 2152239.08 1283782.212 1983105.197 3484004.757 1607869.172 2670162.142 909158.6765 1654869.269 1790416.673 1998918.122 2290051.009 10286598.7 1665676.023 2438571.518 2308795.18 4315723.315 586619.1941 644409.1678 31025460.62 2490071.78 3496890.307 1360251.173 1812155.98 1715729.266 2181881.33 4996988.52 2089706.484 1844836.499 3851663.347 1936709.157 1856386.498 2462783.007 1867249.473 609829.5175 888901.1024 1873727.173 1568624.365 1906719.227 3114152.702 1762885.272 2609618.309 3381413.187 1501907.957 2801527.154 2816162.264 4179333.817 1595490.278 1603154.047 3100719.464 3486084.78 863916.8929 991852.7113 1696658.728 11271286.76 1833219.23 3973145.348 1986187.262 2494527.59 3106507.936 2508571.136 2479166.61 3776545.492 1952596.144 2221047.163 3199651.413 3333412.216 1550132.036 3425110.349 4022053.87 847378.6877 986984.4836 2039124.982 111469.5537 113259.9354 110334.7877 95243.52266 105675.2213 3-Hydroxy-2-methylpyridine-5-carboxylate 143864.5905 2896509.11 2544816.611 3524107.9 2586805.419 3444766.091 2485257.365 1501160.029 1714936.902 2069820.683 14267404.52 3035385.137 4781565.031 4199358.091 1215960.569 6098305.67 6519413.917 7225785.772 1837215.53 2592820.488 6028640.683 2033089.576 4253788.896 8123178.819 10012611.54 3081006.929 4119158.796 1119428.39 1033750.236 9825427.605 7854073.086 15313737.5 11893243.5 3504474.144 10090653.86 2336172.63 1238451.807 5912993.324 4452456.568 4352723.962 2970168.18 6113452.821 3056946.276 10491756.45 3999756.711 8791068.853 8233838.125 1325122.754 3340751.483 3967021.065 3326937.279 996963.4455 3454474.718 7685227.445 15477192.66 19252402.09 17721634.15 5091795.886 2397552.3 3985918.005 5412662.27 5337090.004 5387064.988 2227214.339 4725802.402 420021.9626 4407328.752 9128622.263 5945119.22 8077602.858 2593938.124 2924223.63 4139423.722 7129335.546 5672196.298 2264975.572 3444804.994 5226788.605 5698301.398 6428684.127 1910662.251 1649018.326 4146890.493 1040934.982 2204881.968 667853.0003 4380433.085 2335019.101 542412.355 4049045.635 691164.5978 992069.0199 479110.4584 3351293.427 3686662.238 176551.2627 171929.7185 2873995.603 3514599.736 3083095.974 2290771.64 3369101.681 4496018.628 4113818.02 2487805.884 560606.6977 2005289.227 4790919.775 6720183.717 2459651.083 2856583.745 5994125.775 1081761.81 4914645.053 7668846.51 3761813.252 4002655.267 2465457.695 6421785.537 528750.6015 3428936.249 3434666.227 5453563.382 2937017.133 4471785.774 3692628.21 3388320.655 2137902.694 4099096.114 10951815.43 3795657.825 1081234.576 3544629.96 4131747.042 2284558.625 1735886.747 1903708.8 2155096.168 2186152.138 861827.3523 2813352.425 3545643.853 3455792.413 6166743.563 5463528.431 2619934.706 2775077.895 20003613.57 4678813.493 3501835.854 4546667.09 3767038.342 1802746.089 937537.8265 5565822.7 2011927.071 4242616.386 5926679.159 3594364.872 1137675.091 776808.9693 1878948.442 2217195.607 6999548.553 2244502.153 5109615.336 1720514.134 1889380.578 2675696.284 3954551.307 3199733.369 183475.9051 155344.3219 164083.0456 146661.2901 161207.4106 3-hydroxy-2-N-iso-butyryl-anthranilamide 85091.51888 777399.1512 599297.4358 470320.3133 99602.62589 2403133.402 97791.40192 6287048.46 206332.1668 5665325.106 357757.9834 5699144.932 255083.0655 266286.5795 2624397.3 6213776.562 3179827.986 1654106.235 89837.9869 3242286.168 5546529.031 5894266.085 4828451.383 7636378.163 2433070.691 475410.3995 480156.793 114173.311 4539277.487 794158.9085 4919054.209 872359.67 2345539.51 1028537.114 4072861.481 5444331.52 716635.0248 6247887.662 8172256.524 1362320.07 171906.1596 996319.7972 4043840.569 262186.5768 500493.878 116518.0724 187780.1636 6787946.074 628853.0622 505676.6915 5446658.998 5443372.449 1328057.671 190579.6987 169919.7808 551470.5649 1171965.827 9320856.902 548591.7702 2007884.839 4159758.267 350148.2992 343514.8876 5457815.259 6619828.442 2310372.16 5745946.021 510609.8841 196806.4111 1783825.042 97822.12637 616676.3634 634455.2961 5904215.5 798993.8717 6337558.436 6093505.431 1694893.784 4852426.533 337306.7948 1146014.211 6134535.953 999157.3684 1327307.874 6799191.338 96820.05215 202188.6511 8426104.529 1991198.901 3300477.518 1692998.684 653585.3893 7806530.629 839988.337 571318.3784 84836.72059 91414.97435 648666.0397 513519.2252 8948539.607 1832053.515 1609384.474 273120.6584 155039.2874 5020087.759 4715850.79 638562.5346 497254.9378 1378368.677 6373051.028 10299542.99 3990859.851 6294822.432 1252531.247 942884.8645 803131.5108 545131.0389 7623072.701 218203.6882 8128099.051 1815848.34 763497.4934 9887824.667 1349725.986 453826.9408 1106466.576 9046827.22 8962721.74 5316914.3 4666061.018 979683.9021 5015431.503 868552.9377 601671.7591 676678.2959 735299.7861 394982.8068 8289111.904 7275345.563 9105210.674 356273.0729 2636900.926 6541740.633 219864.7315 9858788.068 424343.7096 5743378.288 11425830.83 10823211.23 834198.4861 732536.7582 273360.995 12352382.03 1014891.224 10075193.76 4822258.791 11873382.52 1568394.97 486691.5256 7350926.851 1032929.236 393485.9387 808946.9172 9489715.507 9859592.38 5874768.94 793188.2897 8536612.619 852522.3369 795272.4418 1549996.374 101971.6574 85910.60379 85819.98261 94932.13832 91843.68984 3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamide 106528.5336 18333780.36 28609692.95 31590518.74 20938942.92 23664296.61 9290588.436 51504313.71 15840054.37 10091500.13 21676530.79 18295941.99 29426994.78 35331269.6 15132915.52 45449492 35339073.01 52355316.99 12978365.16 24704402.79 30830415.57 29444224.32 23798780.24 46051281.09 18232238.65 34156630.01 38562992.6 20313028.82 17377488.23 39465424.87 58173894.52 16788223.09 32083100.6 19731654.23 38913167.27 24557802.92 27267286.96 51532549.87 25483639.23 21542173.28 40972162.36 15528592.85 22192528.86 47663204.82 22668002.53 72141907.07 42043424.59 18742360.78 36464371.6 41475951.02 16914122.54 14867817.9 31880970.03 43823827.39 12084512.29 36776948.83 67289484.08 77103328.44 24931463.53 47429316.22 38839425.47 27386078.5 45728229.54 60123034.06 32023808.83 16808034.01 23497647.16 30902763.76 36679647.38 54635068.38 29979038.1 43728664.82 56430680.53 35034258.45 34393354.32 9275243.193 28115845.77 42169407.22 44732536.76 13149371.37 29732025.5 17449937.78 30266300.26 33553259.41 31959356.95 21019943.95 15844447.81 23808454.89 15768303.8 9816043.619 8570279.04 33829702.47 11333598.56 47142310.56 126712.5543 91657.02579 84071.40263 41164547.41 46646151.53 47816589.02 17189462.9 41452454.46 37972294.09 38316140.1 26974735.52 31343756.03 15366931.13 76877900 20598258.23 60418475.8 50996287.81 34372877.82 24241693.03 18590995.53 32653310.13 92876.05116 55333330.34 97256199.28 41034242.18 27800963.21 35117224.98 52434902.97 35182901.65 30421205.54 53749067.94 46199412.23 19298437.05 26934926.97 45286309.18 38818957.66 40922584.48 34060415.49 53488955.51 54954315.92 36645243.74 53489731.79 39590944.22 24451907.15 35832151.96 26908468.7 37143625.7 59814635.02 40371023.86 28341553.95 46396445.67 24955646.18 43237708.92 60244417.76 102376738.4 50858249.78 60281944.06 55655722.62 54721032.42 28196972.7 32142300.55 28144339.58 82797768.06 83213904.41 83428112.16 23211377.34 42788102.85 29264496.3 44141528.11 80425289.26 35206458.4 59676272.71 29560781.13 43774891.2 49734721.31 56305320.1 46909718.45 94378.20951 104254.2351 96642.13188 96004.7129 93736.80035 3-Hydroxycyclohexanone 126464.9871 1187395.567 696154.5102 928332.7274 735928.3021 189002.7373 696122.0574 1793792.743 950644.6643 1729293.21 1075827.213 556501.0943 7074419.164 1525532.089 388850.8556 1254701.204 1957494.123 1392637.107 390459.7848 1119841.753 3282792.082 7501983.034 1336560.16 1670399.242 1451330.877 1401484.134 1088737.19 1173436.523 1215251.493 1255879.31 736469.5072 2027167.454 1277447.693 1097412.487 1471803.174 619419.2707 2281711.938 907879.0613 1652879.263 1668591.507 3074415.508 782374.0769 540337.7756 1102353.62 838787.2111 846569.5363 405530.0264 773975.736 1321811.21 1102218.167 3219429.518 1741176.241 428471.3331 1254744.817 655419.1756 2271479.913 2115572.721 1219620.241 1313693.08 877940.4291 831927.1188 1348120.884 745906.0617 457571.7417 1205402.214 764890.904 510604.4074 2070966.618 208510.6679 891776.3125 737135.8087 1305404.321 1242078.531 978742.3781 4238035.349 422600.0917 440487.2633 4622991.901 2363740.053 891434.8545 313438.5184 1013877.121 796521.4901 769674.5242 580366.4601 442454.4109 484910.618 467742.906 1199323.124 3069090.263 158306.1191 1498324.139 222510.3869 1380636.713 1142850.904 113406.4328 105530.1706 1197316.631 1266399.168 1186219.412 366511.9562 404666.3392 1207501.214 1348097.186 1011482.932 1782248.003 1183029.943 908295.1678 444567.2339 1189516.161 787650.1125 367789.3077 366758.6023 487434.0917 1500545.643 1394698.812 1324530.679 2992513.719 723957.936 1880051.381 827601.8461 1320374.77 6441699.182 963146.7346 2182549.552 731938.5303 707744.1724 904141.165 1622966.105 491565.266 414810.5466 609701.5476 1459380.385 1191871.194 800574.8052 1142306.818 956996.6446 506171.0918 1714486.061 364120.754 447152.8946 761600.5622 1728201.428 621087.7828 1489504.456 1694402.404 1110867.084 1835921.877 1912022.228 1055079.754 1190826.17 2556257.89 167354.7827 2718210.518 359961.26 1234518.093 691400.3937 5399701.117 1941116.799 400994.8608 829637.7758 955174.5813 2247922.919 823506.8561 1034447.721 1656034.873 5467051.097 567460.5832 1347084.005 1557688.927 1891706.167 134044.0908 124853.5602 126116.4669 125501.94 133952.9191 3-Indoleacetic Acid 194614.3892 4225188.535 3235646.907 5384159.291 1654002.754 3167271.918 2963868.167 5296867.897 7873328.837 3709140.226 2708143.632 1348375.28 1431463.192 3518024.138 2503012.608 5058513.59 4870606.596 3388945.411 3084204.787 8042657.077 2694985.028 2768633.194 2161536.203 1973265.119 5207148.877 3274776.266 4917398.217 1415589.139 22313609.07 5804258.85 2818869.12 3919137.427 2779415.134 767252.3093 3902358.507 4290924.49 3901028.903 3682375.261 5031264.677 3307612.608 3151441.449 11834137.84 12884185.08 4973606.777 4096288.742 2337087.156 787878.4892 5767438.923 3389314.028 5511522.068 1188182.45 4499931.843 2103457.202 7012622.42 2974397.242 3976160.483 4746784.633 4402582.735 4348690.852 3238320.01 2034909.238 2022589.775 6380562.074 1024694.13 4020568.697 8557599.228 2583300.716 4129116.359 3575548.274 4529040.228 6701676.248 4458446.715 5361855.962 6203391.761 5205710.736 325954.2139 3691563.615 3583891.412 3520660.776 1395693.302 1327815.891 1895170.641 3091790.216 651057.6745 23372713.02 4440617.458 4816450.899 1844715.257 3674287.597 4417162.763 2631925.98 3012731.586 2990703.432 4591188.011 7183012.75 138896.5007 242927.7854 3587472.547 4964033.888 4371258.988 1059823.216 2481556.155 5131240.46 3144007.177 4939459.271 6872190.079 9971867.331 4906525.305 1860526.45 2472939.125 3777092.72 4640574.86 4047453.497 5639809.336 2822932.487 5501791.974 6595189.743 2637720.089 2569431.135 2546922.186 4806340.177 1876772.335 28796220.92 4482121.589 2884846.238 9131564.018 4483336.13 1662393.257 5308290.903 3831857.983 4963092.473 2410060.949 4191854.711 5712851.406 4815310.88 4760054.854 4780829.752 4251994.43 3764655.285 4998778.592 8057659.715 8336010.234 5935380.918 4358699.629 4653553.337 3825891.922 14290919.6 12136536.92 4158714.801 4493331.7 6449709.812 4173716.583 2555313.593 6134475.977 4877317.969 2916806.745 3334000.361 9037949.948 5657519.089 3425254.836 6598789.983 2306669.958 4530284.498 3637358.765 2631781.987 3925515.491 2083427.821 15385754.12 4713675.513 6664238.463 4940726.99 338888.824 247340.02 186507.7445 146923.0971 155074.4714 3-Methoxy-1-methyl-4(1H)-quinolone 132983.587 2059574.615 1998932.519 1634997.736 1168756.016 1349862.129 1498436.892 1471242.772 2204747.06 3267531.721 1273781.312 205324.596 3691045.67 308954.1073 1612814.289 2409788.897 1554625.753 606742.995 2018301.159 2510987.795 3340559.3 2051783.001 2269797.049 383231.4566 3415740.197 2197145.451 1958602.899 223346.0926 2845884.849 2046343.113 624270.9204 1065495.722 243428.9602 499046.1024 2320007.62 7629143.748 1750674.18 340615.3213 4614184.644 5239349.029 1136897.289 199172.3624 1128534.687 1388110.478 728959.0387 1703221.785 1166032.221 1742852.697 2191386.675 2063597.516 4086690.816 1215999.278 676428.5361 2574527.179 1134316.461 702265.5931 528940.269 2375142.429 2497849.68 967435.4514 2810587.079 967485.9564 1420878.511 482457.3701 16747227.66 1559059.475 255952.3567 1491172.926 409181.7124 609953.1601 2091176.588 2055708.478 1053985.932 1259085.236 606315.6838 543856.4067 1833684.48 755582.8612 3209227.759 233370.5665 4775906.613 3237499.219 904215.8817 410811.8212 2431780.889 1616349.481 426032.1103 891055.2842 1503477.548 432784.8982 1279697.133 2783503.679 477127.5654 2818559.316 1968645.209 168631.3986 157818.6699 2089654.9 2264552.285 2414495.167 2283833.703 2317409.449 1945163.344 1491382.802 15367899.15 2522496.864 13028988.57 1950831.16 3472975.598 1750293.383 3187208.012 6265352.886 838954.2984 1719407.855 1819324.078 2810478.167 2131027.545 583391.1606 6203844.293 1555609.353 2483600.202 1453341.612 6231590.285 1488099.327 2434752.384 8971589.859 2050950.861 1587489.253 5128767.779 24409869.83 6005548.326 5900302.206 2438658.382 2220798.713 4215891.364 6930753.175 4917175.691 3018401.745 8856219.516 22223506.94 2857794.989 8455363.101 4398826.6 3927055.592 2005486.179 2898607.673 4562809.021 505267.8345 3255121.935 2837484.028 2393992.931 6726094.608 1707580.657 4059429.249 2286022.495 6582804.265 3342832.729 4494703.364 21392084.72 2012543.312 3280481.732 11481795.63 2205308.803 7440086.549 1391006.398 2298316.162 2600271.804 1018579.7 2465086.24 2384420.973 2955720.774 166850.768 160518.7283 174236.2546 157593.2924 166428.1673 3-Methyl-quinolin-2-ol 114203.6782 952797.2204 360007.0183 1025271.507 1263339.529 1176639.35 845590.2397 926575.1173 1136032.792 922567.7268 1273227.021 934645.8758 1425786.424 2160262.18 1003869.758 1613485.59 603433.7195 1292143.831 632275.1179 1338065 1719617.386 1398592.289 1478069.057 1372124.147 1508743.617 1217967.961 1192275.384 875307.7885 812038.3165 627054.8925 1924877.836 1314863.045 1580974.442 1707350.765 1782708.973 1896662.083 1302223.35 1066343.396 1085166.749 1484902.732 1268605.408 1307038.141 1513933.212 1767595.537 1469403.753 2495597.192 1299274.338 2021846.482 1288873.934 1102516.793 1597238.122 1341637.861 1715422.694 1164570.008 1262898.499 1671496.336 1911220.695 876291.061 1911173.402 2599695.124 928626.5578 1488956.721 1170694.593 1562888.427 1448308.051 1101955.331 1527294.705 1338542.964 1680749.917 1884539.577 1144413.292 1290141.643 1290733.667 1737951.012 1225133.71 1376442.041 2118390.436 1350255.588 2002876.389 1432579.489 1038006.555 1572295.091 1334504.104 1865325.186 1560766.427 1207439.833 1217951.586 1488887.021 1603301.653 2138387.943 962826.4033 2128369.95 1329138.921 1319703.065 1315286.78 90468.65053 91135.42149 1186674.606 1170335.2 1447123.29 1702839.436 1722629.409 758659.4771 1708904.139 1857421.006 1032894.942 1818244.497 1413955.677 853369.3713 1148687.138 1804251.715 1972566.66 1390800.855 355949.7569 1554822.263 1101118.116 1207420.353 1763418.889 1669063.948 864948.8147 1428439.106 1536897.505 1386737.218 1496984.658 2156679.844 1553124.663 1595602.514 1531497.397 1505584.832 1936547.151 1630879.441 1673447.352 1273692.271 1196928.459 1836381.571 2177164.117 1810549.24 1503354.624 1500115.818 1691333.075 1647652.409 1904122.486 1840119.253 1557321.553 1787734.788 1337063.229 1682164.132 1837618.946 1358579.061 1482982.138 1193632.85 2064444.115 1608921.707 1466132.078 1608391.446 1927828.437 1342917.043 1963547.645 1520004.111 1753037.461 1521811.457 1478552.102 1364916.296 1417793.614 1510178.942 1276518.807 1702579.716 1704475.647 1194985.209 1337723.23 836530.3096 80044.95668 83512.21145 89702.60106 80908.6616 88649.32061 3-Oxo-5beta-cholanate 179514.645 1036676.199 254709.4773 926202.8746 174861.4518 717747.6139 246903.6761 11750913.15 904545.1439 200221.9447 2181984.801 1074595.927 813877.6925 348498.7126 539155.8392 6545549.778 2433974.942 2927648.997 522430.9746 969759.7022 2643591.775 289748.7628 298374.2143 614967.6253 1047061.365 334786.1679 973186.5916 429480.1608 2490748.479 521992.7897 2015712.176 621393.722 1786693.709 198878.9171 1042308.294 325413.5212 426453.469 1147688.172 338350.1531 438928.6832 561657.4167 1265838.265 1026413.497 2638494.614 2604243.32 762816.1618 211442.4542 3135887.6 399077.9003 1017775.08 876250.7593 645042.8135 1614038.787 1800913.476 905765.7562 2311010.949 2077955.112 475548.8568 5160090.491 422202.7417 391209.0428 2166282.657 1833871.598 950925.8967 1765635.664 3049738.251 303496.4808 1278748.95 819988.0892 1867579.34 1338591.242 418888.8345 1313222.741 4975536.162 1527610.353 507761.7054 1770206.742 2160453.494 1753588.042 377894.1574 2430724.068 959244.7166 2217850.541 241884.4889 1536591.691 245561.7651 972884.1785 1346457.042 30278009.89 8300893.496 6196347.174 2457718.005 1132815.068 660557.8667 1303367.396 236281.068 220271.2194 445557.1372 1026318.759 2380483.299 686813.4844 232162.137 5499833.092 1772819.135 1601175.588 2726060.665 227213.102 812365.7891 331337.2459 2600144.018 5467937.402 4737272.444 2061413.413 562869.5731 522402.9168 411995.3397 1359516.514 1440898.725 276676.1029 746925.1448 1410194.407 640398.3053 720441.44 2618012.401 2351850.619 352318.1227 1141160.909 933666.9944 803853.5496 342046.0559 1213842.511 212732.006 471734.1523 1402539.833 452415.7134 3169254.483 1903644.045 1050150.571 832503.2169 288387.0171 828059.8042 670477.3933 1853574.015 2579406.545 5339135.704 6976694.784 630327.177 198590.7409 455432.6496 538354.3635 1442061.101 2735935.885 361699.7742 1451438.109 790879.278 2494378.258 1006083.516 1513695.76 2708702.673 462296.2528 1458048.329 1150713.943 821946.3954 1492479.908 2228639.185 1165743.913 299627.3609 1237738.901 721906.5494 1356869.283 2051027.928 194443.2968 193255.4374 230728.8356 208571.8854 201100.3208 3-Phenylpropionitrile 79473.69603 6375235.074 7464310.684 7181646.321 8769532.097 8235115.225 5369328.381 6596232.701 7470080.65 5839740.187 8641145.954 7942775.709 9760502.86 15137288.2 8013825.129 10382801.04 4313364.122 8457411.336 3961210.421 9359705.823 10837985.58 9866501.226 10881461.4 9836106.098 10939572.95 8714343.438 8221451.467 7990661.938 5062900.578 8248596.444 13888339.34 9105321.464 10365681.65 3146679.723 11855887.92 13066660.27 8682074.656 9508759.523 7189362.662 10254161.85 9841575.652 8714951.062 9589907.309 12481337.37 10146144.35 4930324.493 9954775.779 13603663.09 8747667.024 8057795.557 11616023.19 7791921.714 11043348.59 8403197.395 7533389.098 3407272.507 11919808.2 8336966.138 12386282.72 16691309.92 11691979.12 4357188.137 8199648.404 8149563.461 11285159.16 8159394.785 9026160.374 8399909.592 11592348.08 12545949.82 7029739.159 8940645.023 8826083.384 11566063.15 7883465.776 1045829.619 14743248.55 9452386.82 13596675.59 10697797.98 6868556.09 12354544.31 6788116.566 7346051.96 11312507.81 7434266.591 8660309.422 10177648.65 12047412.7 12123329.84 7230303.172 14998841.85 8965540.39 9407829.534 8680203.071 58409.95188 63420.62622 8480327.858 7951460.146 10302939.19 10634280.24 11285118.65 9584543.552 11109629.75 12432068.09 7322765.08 13031749.25 10690201.89 9414942.866 7721412.044 11443625.15 13143938.01 9293128.765 5188824.566 10560492.7 9750689.094 8139397.649 6154289.055 10959409.59 10417951.11 10004845.31 1686534.767 10749246.89 10037957.3 6861180.383 10231005.52 3549767.129 11262671.2 11393844.16 14241708.12 11097725.46 9635743.232 9459846.625 2693071.101 8812941.584 16367988.49 12214253.91 10305041.13 10199262.81 12964614.85 11748279.64 13331570.65 12610729.8 2974558.855 12139978 10127689.26 11249751.78 5161111.439 9953741.252 4920296.11 4404756.639 14440451.04 4054335.515 11338425.43 11414811.39 13934809.39 9059876.947 13416751.97 11382084.34 12963264.38 9953382.504 10146537.33 9445891.413 11078069.23 11337809.29 7098750.948 11664903.24 11241394.25 9937324.904 9838334.812 9598613.729 55702.83426 51693.90255 62423.53456 54921.46069 61690.56263 3-Ureidoisobutyrate 281070.1215 2538803384 774437208.3 721497937 2765753599 2383558828 3388906092 3169691842 3761350923 3494131114 3550070771 2602186519 3502223065 3387594651 3600230671 3319441594 4098058017 3268540848 3289187860 5301974288 4059478589 3987908166 3862329907 3501097280 4041319369 864331646.7 828559546.8 4103714220 4143633542 3593183878 4354764142 3997654186 4145963350 3967956480 3893897137 3432904993 4032996251 3205914621 3919979320 3917800289 3841704131 3809617320 4117801409 3382512876 3431927372 3102829412 3822762467 4244060850 914189759.8 856411565.4 4179996138 5295161448 2450681133 3709601917 4644696551 4589131009 4193139419 2695555298 3520130209 3487945848 3525001317 3444623846 3676982848 3438999583 3983234893 4541708502 3642738003 4263608927 4003207027 3477900853 4510905678 1011725751 995477195 2664030735 4464791997 4978284761 4538824168 4336573200 3148506902 3952465692 3747584001 4223078478 4131523020 4549614004 3811639030 4672820332 3468251216 4549654152 4495629797 4639713014 4805814827 3882679864 3422909714 1095609054 955855648 404805.5294 267710.4864 937482958.5 875525494.1 5120813115 4268198606 4711409210 5671205482 4154704537 3517249129 3512684323 4136090610 3989703427 3883675672 4550260217 3054521262 4714916550 3748579601 3677526001 5480309740 1172884078 957496843.5 3790403355 4781747003 4247226622 4479320860 3624340695 4013740541 3808926284 5121315000 4225447611 4831731000 5102561759 4275822301 4690335868 4309851967 3938700043 1177330493 1055742525 5365181258 5454797470 5276174235 5921389787 5118656415 5126067864 5674294667 5535845106 5828574368 5590793335 4989900212 4194518419 6480393028 3482105461 4293882053 1184231752 1137211166 5410002584 3704071903 4870304512 5040644778 3935940070 3944666821 4900766675 4688418764 5725833649 6643738600 5454816722 5331723977 4742357165 4813981441 3874871294 4312640889 3745653506 1337577214 1231522724 4897736842 398038.0598 266394.8038 125882.36 179941.7454 98545.4 3-Vinylaniline1 434797.3439 298057545.2 328731854 327832278.7 367405290.6 362648266.9 232698948.5 405081151.3 266101446.3 268384213.4 391195285.8 330866129.5 337227974 457911506.6 278274675.4 444579236.7 326867789 479624931 189276692.4 345272605.6 384652040.2 358958459.7 379980217.6 472040785 352432877 354242141.9 375020326.3 290284612.5 292078371.6 379229483.5 602204204.8 324770724.1 379424607.5 399106912.9 442391947.3 393339487 336331985.4 393698405.5 380895395.7 389274300.4 344988115.3 291764337.5 315961068.6 464480231.1 330878739.3 471347793.5 377187939.1 419369442.7 393487503.8 367174765.3 443952756.5 288409981.1 324792245.5 363035269.2 295043696.3 505924988.4 523192304 417369939.5 386145925.5 455067748.1 434562539.6 386312376 561805588 324463983.4 437023117.4 271432865.2 419792211.9 435218369.1 446103184 404691419 342783465.2 395300456.9 432651800.1 495415206.9 347487470.9 327463970.1 578648885.1 476382706.5 445001088.1 363556121.2 226781316.7 423156031 431783377.1 634533640.5 494275595.4 231925757.8 340713327.7 385845883.7 427187698.6 408137292.8 293778721.4 442183847.8 319489766.5 424775659.8 401948307.9 8199255.459 103626.058 383272615.3 376403290.4 489705934.1 382883149.3 396183736.1 448328506.3 427287530.8 458235554.4 377065811.4 390053834.6 349725413 359326225 486842439.9 616317287.5 511447868.6 359619196 275854794.6 409629258.2 518961066.5 439865355.3 421044483.8 471145475.5 389176132.7 394965548.6 464619709.3 530631299.1 357447087.6 531016149.9 405148808.5 381328571 428284947.5 449219123 472280662.3 437977821.5 535739211.1 488444091.9 464797107.2 474523649.7 597400145.1 540007412.8 407097226.4 442453366 538152172.5 407873302.6 489531609.9 499941463.6 374536217.5 670024062 405363073.7 403774769.3 480972042.5 421386992.8 492164200.6 507503073.4 593819190.4 530747820 497759087.8 532131576.7 420489026.4 472621880.3 597819721.8 537169872.9 409827034.9 419443788.8 525163379.7 482283984.1 516935849.6 432965124.2 422398071.3 445710121.7 434135318 523360325.5 514435772.2 524698732.6 101460.4153 110401.4208 119505.4582 109771.08 108973.7871 3-Vinylaniline2 187830.6023 3339295.521 846910.5436 1288215.514 5874031.02 3067049.376 1213559.743 7863699.361 4081393.358 4726408.376 1035067.274 5581084.311 4317080.401 6011514.558 3598335.759 7229355.538 5882937.78 1955633.13 332051.8469 6112313.508 7207372.254 5939350.899 5330194.308 8407757.638 5373088.343 4893455.81 5776763.516 4185541.607 4188138.101 2825515.419 9629153.377 1175699.834 5998344.493 949903.1385 6532051.989 5018696.265 4038343.259 6268439.719 6145634.208 3875473.791 272426.5501 3317789.322 3884848.562 5171049.305 3894878.544 5578898.508 2809607.955 5650486.122 3747662.521 579436.6857 8181934.27 2733388.216 847860.3916 3965081.526 2974378.264 5827618.528 6317069.865 7437161.634 1132391.621 3435255.626 9112558.468 707175.8289 5702211.014 4553179.178 6507339.016 3014893.042 4330486.007 2371915.66 4778437.175 2931494.829 3531639.046 636280.8949 1946028.323 8039181.358 375229.8578 4938363.104 9972158.314 3536251.685 7246974.31 1191462.844 1041693.239 3961520.99 3644343.753 7532688.54 7017545.926 2419058.591 3123907.47 3967402.69 7900777.909 2406681.609 2606174.118 4298686.419 3282768.166 4946535.233 5191520.815 161482.4561 164008.0208 332871.8973 4902016.912 8723051.443 2449409.328 4252058.661 670615.2149 1925387.534 5141449.769 4129940.213 3942510.934 1290868.535 3447596.793 6816385.548 7825720.896 6181290.591 3325853.133 2672543.857 4798384.272 1887506.605 1431345.019 3664705.598 4048632.753 3233485.044 2874438.012 1308274.865 7311732.788 511438.4028 4964865.506 3908339.652 5321655.962 6781418.364 8978324.734 8194212.889 3391065.118 4904658.61 4906871.719 5806278.075 4309162.997 804658.7742 730121.9359 5098317.944 5954428.736 7486608.272 1030614.969 3609101.923 2787689.117 741869.5621 8879752.846 720940.8135 3974528.54 6160030.146 5317947.776 1034749.972 5234085.952 1517260.278 7099205.343 261884.9015 7028328.424 3289997.754 5824957.6 5245273.25 350466.1893 6420706.44 3106119.142 4221250.813 3271006.309 4078348.958 485318.9243 5229165.006 790645.4468 4374047.843 5095960.581 8590826.168 266615.929 165533.9895 161217.8954 168695.7992 162783.9586 169683.49 3,5-cholestadien-7-one 90176.59713 648454.1279 607729.4983 564637.4969 2437087.572 1107225.75 473586.2267 1930474.235 615506.7683 1016376.138 241387.0242 537517.3619 216456.9531 295200.2167 408902.5088 1042656.201 678357.574 2354094.322 468483.2967 1549040.952 588377.0573 827165.3493 271593.5702 586508.7253 311661.0891 842521.9935 940135.459 406983.5082 932087.5211 306672.7336 910982.0671 762856.9455 957281.4822 409495.5876 1770256.499 1025312.975 706184.3525 606899.4099 1209989.25 538293.6637 344388.4598 323546.621 654156.4744 387088.5687 835996.3715 726834.8143 507662.1255 978605.5527 638205.8933 544199.7847 1031455.507 1754341.107 1991016.615 886686.5534 161513.4172 1711883.183 1841663.072 1025676.881 542275.3725 1063441.227 208396.0721 920250.3937 1957047.857 1021899.947 719039.4419 434922.9979 805062.4969 192530.1558 785734.9112 823335.579 1146225.409 707550.8139 688319.3641 1156284.496 577792.9824 257149.6723 833322.6297 354086.5202 1072875.895 1336481.766 558019.0878 165324.6582 284799.0554 268122.99 914285.4588 1180579.496 406144.3958 519771.0782 351792.4914 723691.0243 1853796.861 569816.7334 696936.1571 622110.981 615155.0998 122532.0769 123956.3568 703006.5063 488942.862 681831.16 582787.6704 1110534.138 598748.3682 279336.1522 343375.9985 596368.5078 664872.0354 299618.4974 655388.4423 745734.0937 753493.7143 988339.3613 545527.4981 705080.5112 201574.1086 913898.4862 748667.0209 219873.1978 896843.3735 483385.0361 849140.683 566606.3415 750816.2179 768145.2962 693659.8413 586535.5809 242949.6391 1123190.028 474792.0843 429580.0154 1229066.193 260196.2191 682681.3594 313656.9097 1181599.87 3002334.652 842678.7214 640288.8196 480452.5552 172247.1649 347188.4803 750386.9034 284568.2669 436354.8242 225452.4857 536810.7661 1285989.798 818287.4584 1002763.2 750096.1683 266033.666 588398.5928 708791.3647 1342386.841 316910.6174 447056.8296 720074.6276 664574.0052 182347.4284 643217.7111 1725703.975 716460.6407 678350.099 492386.7862 371958.3828 791862.5105 899631.7701 589421.7913 853710.2411 231622.2727 851683.7351 134473.217 129539.4173 126831.7069 123479.5572 117944.462 3,6,9,12,15,18-Hexaoxaicosane-1,20-diol 13116313.54 6066122.144 7738498.407 5244852.003 97494403.88 84145100.15 145617991.4 97656824.03 91736606.51 84145256.51 91259482.3 77419901.04 101950040.4 138563475.5 109368528.7 115173278.3 117150956 7247073.314 60793460.63 115899577.9 88225934.79 3821991.264 148065518.1 117368627.9 122757079.5 9004335.136 6105086.631 77131308.19 73873762.19 70967304.78 110002675.2 101976108.7 108054262.9 112628447.9 99073965.89 101096919.9 96599756.81 110263733.5 110967474.1 148456928.6 96307736.52 112198684.3 81585378.51 94752090.44 86033398.01 117750502.8 102673245.7 87159088.97 19792759.71 12646162.22 120900232.2 98080625.6 88236553.99 2013908.589 78700381.64 146794786.6 127428402.8 117921594.7 83992337.09 112617741.5 103543505.2 82549894 89431915.94 124639532.7 76414847.11 90035753.19 70658229.32 98151254.39 84337702.36 89264621.09 72554233.38 12360642.58 23855148.76 115331920.6 3804695.678 103313487.5 85779389.64 5723534.452 71630626.71 116104927.7 112616092.9 82929890.15 139722369.7 68669944.08 83517953.01 70561995.05 92846951.9 105055782.1 96026225.21 76463059.64 165361320.5 87558214.22 66814391.18 15728282.76 15003597.04 18361012.11 1363718.445 4895911.755 2708355.383 115727070 2587672.149 601654.7246 86055975.99 69744764.52 84968348.71 92003449.56 85888337.64 81313691.36 1999901.767 136576137.8 93869516.57 744424.4634 116692235.4 679412.8054 1407491.317 3840867.879 3069582.639 127820897.2 196764.6608 134093496.8 626423.9878 113459132.6 445060.1113 67648178.02 84827013.87 1641326.369 1866568.218 154449062.8 119655757.3 2179841.149 78082625.28 87702407 3876019.851 3437861.826 322411.2998 1022987.215 243381.9541 152314737.1 123190245.5 147620.9485 1067608.878 43455988.15 658055.2631 74707840.82 87726963.22 73667969.92 82072945.2 116558491.9 176896744.6 4111547.82 3456076.344 130799758.7 65529038.8 78990784.62 85666409.74 731674.719 10444238.96 481002.3999 3036014.89 113455456.2 72214051.59 115590764.8 96821262.54 102905907.3 102077191.8 99489228.23 413005.0868 72284279.22 3844075.911 1429372.731 1485552.95 369710.9787 334113.8021 509031.6304 322168.1277 4820268.51 4-Acetamidobutanoate1 212285.2286 2398338.202 2569383.518 3691219.511 435550.485 415141.4886 724329.7506 3506348.584 459771.8096 1615983.987 501123.8996 2806249.315 1242558.038 465003.3888 2003104.275 660915.8655 843970.9408 24834565.01 454870.455 1961084.106 481820.3795 401117.4941 464067.374 486078.1786 460838.2561 2623485.666 2869654.358 448272.8614 907871.9042 1256049.649 484715.6574 436465.3385 476256.637 1504908.73 1218418.232 12657332.34 27322215.91 885455.1806 449922.1572 3646405.429 29907085.63 432321.603 417015.3913 6558353.565 399996.3689 11043312.17 1027721.453 5406167.249 2228271.16 2827485.043 450288.903 441378.2127 1137746.141 780221.9017 420689.0494 1838848.363 1398433.888 512048.7888 403002.1996 1710235.38 2113955.292 402239.5076 577243.5702 517714.5678 266446.4678 477771.9441 440924.9154 843226.117 388816.2742 455079.107 2549942.54 2332765.256 3759165.937 385365.6142 351034.8056 392998.3643 429792.0989 520156.4602 2192252.697 406864.6818 10493184.84 2016592.153 389412.1866 394567.5445 1698260.832 333295.8367 398537.0011 754200.4494 3980407.963 1288086.217 6876453.751 6136781.254 354256.1972 4001721.074 5307601.302 221599.1565 210691.2304 2617115.607 3248987.992 2392638.319 76158300.01 366910.764 412702.2377 399223.4078 402692.4419 7635963.22 692150.2834 497756.8206 8451709.46 55888146.81 408491.694 6668069.352 382428.4201 1111083.154 1765632.346 3438750.199 4723201.733 478042.6675 4545499.248 944735.0297 13049563.37 1093190.2 17603820.76 415133.0876 1282358.556 378131.2654 3473329.974 473153.8326 1938881.287 11241386.64 803801.2859 1521629.58 5514287.484 6892916.294 1368645.334 2327733.226 18221037.22 654792.877 3391954.591 5808460.286 929751.8063 1613048.093 9877646.86 597577.5778 1478779.384 5292212.991 1289933.636 2538307.964 433502.7073 5863233.999 8615918.17 39398274.48 401845.9644 25864478.76 2642945.813 3147985.817 1783795.945 302727.6486 3288255.784 277894.5571 1013809.393 2546689.597 2532156.466 2760099.311 947156.8112 6383394.962 298137.3774 2283766.358 1672842.302 3509411.204 5608694.107 200092.492 195009.8068 204616.661 199058.4017 222856.2379 4-Acetamidobutanoate2 82911.48009 2414546.31 1928701.477 2068053.619 1248355.16 1274078.358 1298339.885 4493485.693 1973654.933 2751560.505 2609995.819 924413.8144 1143222.93 4157299.433 1956066.478 2504387.542 4021951.126 4933118.015 2559470.699 1806284.652 2139793.044 2822257.127 2342537.364 2680214.352 2488396.899 1291855.359 2071856.5 1426641.732 2672638.026 1547763.816 2130421.24 3229806.791 1972761.41 3221816.414 2464726.69 1541856.831 1236994.353 2839493.068 1620526.013 993826.5926 1512690.026 2089309.595 2766043.257 2146937.593 1733815.532 4628271.815 1500374.01 2091672.113 1467833.165 1676978.749 1263332.968 1912326.756 1242815.776 4765671.289 2206660.564 4452080.855 3662157.401 3326937.585 1538178.125 1498468.158 191946.805 1675410.253 2322777.184 870453.7329 1585676.962 1811289.661 856028.4782 3523106.588 212300.3341 1360265.497 2136432.614 1088131.069 2000203.066 1046636.348 3413997.826 1919935.949 1490457.143 2015203.137 1279534.565 1957248.258 1230589.832 1569307.403 900094.137 2152081.086 1079935.346 880920.7831 1313493.993 1053828.677 1128351.612 1816785.018 1585602.375 1925613.92 1076563.331 992551.3065 1432062.697 130819.7678 65083.8501 1359274.98 1621364.314 1686888.396 1289466.408 2586144.592 2218211.32 685488.0684 1849646.147 2132204.614 1921795.768 775279.1808 2668049.019 815831.2144 944576.4293 2577997.483 650683.6335 3338799.13 3499742.27 2151959.438 1572860.658 1471047.598 2636979.854 1425960.552 1829415.481 479442.2682 2829593.654 1396358.554 1836327.723 2548086.272 3499774.261 868099.8994 1387221.745 2233417.678 1256064.186 905368.4837 1468188.234 1361429.261 1746025.149 4005249.985 3128291.978 1493883.942 1955421.964 2513729.289 2058160.12 1262800.212 3778768.798 1835834.021 1397354.306 1403788.899 4025659.025 2310652.316 835093.8839 1682790.072 1581060.16 1823430.482 1751059.952 1988360.183 2325823.212 3425448.987 1283493.191 3658852.317 3482718.845 1243489.627 1072584.451 2647044.612 1411383.383 1851964.018 1359400.676 1037362.225 1724582.101 1640042.25 903573.46 1384920.038 2496171.462 83688.58609 84141.82923 78057.73553 70665.29878 79750.12579 4-amino-4-cyano-butanoic acid 113254.917 36483042.46 41855702.24 44670526.14 24972846.24 18320140.41 39714388.29 90478709.96 65447368.59 46115530.44 42791610.12 19770671.27 133749108.1 195112929.9 73448051.62 16584061.75 67949892.19 68084178.91 43607938.83 49078400.38 19539042.38 35734591.11 63471276.49 38211495.32 121119828.4 49522605.39 47766818.67 126268122.1 126465765.3 36010844.84 54173904.97 47855627.51 115040701 71222294.08 16301549.2 57217542.47 23483782.62 89293989.39 37067716.43 224839822.2 75062658.41 81055797.69 217255534 243343753.9 32893750.72 147438762.4 21644458.48 102564935.9 49068292.82 46805025.39 78900744.91 33793061.24 8422204.052 37023295.52 73718172.17 161502182.8 52706022.57 59485845.06 22106565.93 34891596.37 257524744.7 234244587 18639744.68 15755407.56 31815845.99 83644771.41 15019885.04 44265055.02 204238402.5 33650796.96 84719749.59 44699745.23 194258742.9 11207160.51 40811726.04 182313599.2 139568493.2 131461237.2 163091739.9 77009372.58 16293697.34 22439682.88 13833710.78 49720278.77 132488591.8 36893730.03 49852969.52 18794299.55 74815076.94 122437915.6 70935716.76 57490786.31 58931074.41 45315345.18 180437306.3 1581205.763 137241.4489 36999700.68 39970987.24 51181269.38 12062180.7 91991011.78 87445563.87 72512536.95 52970609.04 74176635.61 23856982.9 52894323.04 157491128.2 33947452.87 16707885.25 84340865.54 44316105.97 67453125.12 31383202.59 44353715.42 39629224.68 18170185.97 37154456.98 110999350.2 55141570.91 87114767.33 183647508.7 57188978.96 56385871.46 37052061.61 45049719.5 37806975.32 55791058.59 19715262.74 157170150.8 22024465.32 39688670.18 41034016.08 69240008.56 49507688.22 59276643.11 131770994.5 36717881.44 42603091.96 12224968.83 91786615.23 55562835.68 148356335.5 23848612.43 23285127.99 90096265.68 17862969.41 16170078.15 43072504.82 41219912.88 177585151.8 7156189.798 20448243.65 31388291.68 29872062.93 13301550.25 112044429.1 37330908.48 24524448 41758982.65 49497582.88 17483622.08 23660627.6 28342697.27 23817370.05 63580687.2 12276757.95 43626459.61 44187284.59 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1247868.332 5425186.607 128674.1389 786520.5011 22495940.71 118110.0704 140392.4805 207015.1939 120406.5433 622073.438 133853.305 11647163.88 635295.6036 124806.1366 125820.7865 255884.5268 136690.9806 4073153.297 5886863.89 880948.4512 122729.0935 3354228.541 5902734.39 1239183.198 1284207.684 126905.6231 144481.0438 145451.2388 124038.924 138459.1134 681462.6904 3153578.825 526194.3854 3570595.023 264080.1999 889130.3035 161655.6709 141567.7682 1945459.598 4701748.296 6242458.646 31229791.43 35256409.73 114090.5923 131225.5656 174297.067 717121.7355 245403.1338 1136423.825 197238.5984 204568.4716 473074.1071 1069150.013 111873.4291 10886145.14 155270.0394 4235448.831 6525049.094 136673.4219 133705.8141 329472.1535 373627.1156 2310548.255 156160.2225 1770494.881 157493.4603 2295387.117 43401531.09 191117.8056 246570.4503 632369.8356 117992.3891 391057.3846 4100923.606 6728621.777 132614.9271 119964.455 124249.3715 1341243.613 114921.8618 122772.1762 126507.8139 106497.5822 121876.1684 122900.6213 230472.7431 111761.3972 696500.7426 257036.7519 330472.7619 124878.4209 1243823.858 4258377.954 7092378.902 8858379.222 281756.8788 833468.119 168220.9487 150812.4096 171654.7516 4-Aminophenol2 69580.91377 548703.8135 1014178.926 326696.1642 83828.38849 2861789.818 119086.0919 1228473.564 230489.0239 83957.78822 111827.95 86808.38008 107073.1763 129493.4034 129254.3032 91690.33332 475042.5731 108229.4747 80162.41041 101946.8408 89973.29352 87849.86173 92128.86685 89484.39546 424803.5249 611526.3596 176103.6154 102056.0354 103581.0302 83574.97913 184883.4295 88783.0834 125198.0999 446722.3476 112655.4406 95660.80906 99820.7586 96232.83357 142766.9064 103167.0547 104363.3867 99293.87985 85997.28886 92710.26643 87565.11246 153088.9484 92314.39125 614939.7015 789098.1475 133869.226 102657.8814 106193.6016 89366.80575 124043.9384 85530.30678 108759.5682 93420.88822 101479.0222 166978.5029 96465.46028 183089.7141 144648.5604 229443.7984 92143.93803 430835.5314 99565.1565 87830.8264 154348.2938 105648.7259 2021794.75 89298.90737 1142693.003 367861.4354 161996.0107 327466.5301 4589011.312 97438.22617 39570290.96 96533.37642 114693.3822 120918.2053 97615.7895 133325.111 33067527.57 724236.9565 88808.54466 95418.77979 8993926.051 111028.2739 99247.25949 118756.3253 2576885.435 83041.68216 1505048.628 288265.9258 82597.87786 109284.0531 1098633.517 201915.1735 154616.4821 276203.9839 81111.39705 96847.22736 117308.2751 135507.2137 118061.5792 98247.19947 91278.12003 279924.2119 123733.3251 101691.277 474861.9022 105623.3167 80824.8154 4520547.141 1483398.891 107520.7401 155462.1805 285408.6133 117324.0819 3068195.482 146426.2253 224443.0098 94972.2069 134637.8552 93481.361 149516.4173 134716.6513 114540.6372 86370.76973 190617.1843 99436.82945 1060532.838 156382.8023 794056.1074 249065.7631 1091228.53 122998.6747 141813.9965 147418.2362 98443.95648 90012.2995 786404.511 169371.3518 741787.3412 107406.5548 1736702.732 203065.3924 134913.7662 1414832.883 378507.0302 117283.5312 110650.033 101945.6387 111784.0627 136596.0072 110799.9042 755822.6395 483279.9084 101940.8743 6093339.982 140240.14 8077593.028 152085.0909 138504.9549 106019.0211 89769.36275 110869.8648 1129728.851 426059.4889 1926721.757 114628.1009 109474.4767 97814.07199 93461.29716 88384.38882 4-hydroxy-3-(3-methylbut-2-enyl)benzamide 115990.2273 1625125.61 1101826.402 1216354.083 2032345.679 1706694.898 2105433.506 3506317.36 2961471.231 1247037.967 2620081.113 1200391.945 1564655.581 1021387.574 1879294.69 1991224.059 3106900.881 3615685.261 1672854.107 2503719.393 1259613.055 2194591.88 1875020.439 3149783.36 1946732.161 874839.3336 1366258.755 1060588.919 1265917.756 2245335.903 2977593.45 4453193.961 3821358.15 2000942.139 2385807.742 1296766.157 1738029.529 2420448.596 1815794.119 2324284.549 4183702.879 2001273.003 1751217.022 2168742.211 1982590.838 1631057.401 2090440.677 2725905.354 1207138.059 1307472.841 1825410.627 2107760.506 1241470.403 3910280.528 2523564.956 4249686.938 4640344.476 1751844.827 2995204.533 1387111.362 2143884.569 3826101.673 743523.6297 1851116.89 1473626.838 1522407.976 3415063.989 524532.2754 2086086.441 2670170.91 3467342.843 1558542.656 1863074.668 2477850.317 1894711.757 1263404.654 1463033.211 2546856.036 1828209.883 2129069.054 1668756.582 467704.1586 2854643.431 1525038.105 2504798.924 2041696.64 1662613.295 1337563.651 2951329.876 1677123.835 2697897.605 3079381.805 2910741.689 532418.4025 1025541.457 126662.9138 110623.4234 966720.4392 1089144.472 1603412.815 1712439.49 1383234.503 1440044.101 2168365.858 1432106.457 2293258.566 2000418.799 2671842.211 2106636.245 1651644.489 1513960.087 2439760.902 1606543.735 1890513.854 436311.2543 1230357.254 1311687.594 1506146.898 1464280.002 2176776.857 3262782.148 2166718.308 534379.7286 1074231.648 1556845.405 1680290.812 2883130.18 1741504.71 3019942.232 1698435.33 1842634.106 1040685.879 1174740.532 1478167.952 2604049.065 2108702.427 397967.1139 1905977.789 1891540.613 634342.8461 1168878.197 1839224.855 665754.4966 3123695.486 779956.2849 2002175.945 734077.2919 2058746.791 2038246.15 1251027.494 1412402.192 1532562.139 1266841.066 1931497.445 2364898.11 1370315.297 1554235.632 1235627.264 1708230.192 1464603.082 1925987.077 1619824.961 3112994.076 1189026.057 1779592.812 2440129.019 550126.2203 888132.225 1222808.208 1214223.103 1940865.514 107978.7446 119953.3476 107167.4669 119268.4697 119216.7708 4-Hydroxybenzaldehyde 302828.6725 45664195.73 48655174.99 49499406.31 50432378.92 79443778.77 35636579.45 71989613.58 54356447.84 31282029.51 59622463.1 57988704.41 71233095.1 70540584.31 55293797.41 70463369.11 56853793.69 101143175.4 33314855.28 66466332.35 62141336.12 77043060.86 57796124.21 73688326.36 51859885.59 54823632.16 61528234.83 37119822.79 39096660.13 58774555.25 97811432.75 56717691.79 41287109.94 40461932.24 84339373.58 87307587.87 52218650.91 69211106.58 50914408.41 69277379.84 32771014.3 34342706.14 35985516.66 53920680.22 44597060.76 66637389.02 55502163.9 57956912.62 60769223.32 60947414.56 29890566.83 65338864.11 51694743.04 34056073.42 37133866.59 33228728.56 29320771.86 38872950.28 28283122.57 74755407.59 30235812.16 54208869.55 39075212.79 28611827.64 31038572.32 14733615.28 26630412.25 27639703.09 42386644.66 28038044.07 26482738.74 50471555.51 52737494.83 44180964.04 18427331.11 17932475.35 37085365.95 25695810.62 30301451.22 15858096.1 18435784.64 28227615.37 28584001.27 26233026.76 54047429.97 16561799.11 21711023.27 25011394.17 26159179.66 30866143.35 25403370.74 31390097.65 9483248.23 33521102.2 54914862.46 889637.9438 186526.7654 57289252.97 64830361.54 39168135.03 31551545.01 24370872.99 20565954.01 22583236.19 18779369.85 19248426.83 33425299.28 21251885.77 17991025.93 32939069.85 26009760.11 48487805.42 15603071.42 15831840.94 21814106.68 33323872.98 47879175.96 22922089.62 28630625.5 25956348.85 32989111.19 28045984.7 36261902.23 19433943.12 33496259.82 18625004.44 30852782.51 27561533.56 25095911.29 36841502.18 30849318.66 22089440.25 32901147.63 34144351.41 27862899.15 54455610.92 42747625.47 22879866.53 31740262.65 47724279.59 31166297.01 42397270.71 32293990.46 30743267.62 40810412.22 22365127.43 28642604.97 28705547.36 22269054.01 35650205.29 38735099.36 37169335.47 33112093.72 39068172.97 27389171.42 26964560.98 30780012.1 31814734.95 43115359.89 45222733.38 25035490.55 35820997.75 27907607.14 29920041.13 28066485.79 34430567.04 16818402.91 30117042.75 46993217.4 42601781.44 30064597.16 195608.5794 241583.5455 259997.2722 205388.3936 274007.777 4-methoxy-3H-isobenzofuran-1-one 344754.9033 78525466.03 84189820.27 87048956.8 89108257.65 136166689 63355684.32 125615730.2 94368748.78 54389364.36 104790480.5 100889681.6 125223190.9 122030710.4 95210015.01 116695960.9 95991529.46 172276325.1 58023176.36 113757815.6 104940348.2 132604671.9 101875290.1 130813121.8 90378784.67 96670994.74 106032893.9 64527415.9 69446773.67 101980608.1 170977401.6 98594750.6 69225530.09 72040569.39 143880997.6 150588678.2 89653182.97 117752792.9 86862006.09 117675646 58360604.82 58597552.01 62419637.26 91428935.26 73036314.18 111243711.8 93375382.89 99288031.71 105080590.9 109815610 51595741.86 111432485 89632916.23 59310950.06 62995233.52 57455203.13 50876078.37 67287856.04 48108958.17 126316659.3 52426770.47 92431125.6 70092259.85 47656445.62 53141847.01 25774885.29 46715813.14 47050297.39 71721788.29 48313687.64 47654498.74 90783407.58 88864540.18 76849677.26 31557704.13 31852071.16 64038883.88 43935376.14 51111121.5 26515122.08 31741075.88 50239250.99 50060466.86 45778879.79 89880664.72 28340533.98 35493161.35 41856920.75 44365105.82 52666980.93 42985182.16 54551325.62 17286567.43 60023914.17 98001742.01 1876465.507 321458.4076 101324810 114241396.4 67412399.79 55195171.69 44400378.71 33910678.94 39724772.73 31455118.43 31909432.85 59587271.09 37473036.49 30251131.71 59057529.12 43926427.14 79189906.72 27905803.13 27898368.86 35195893.25 58020709.64 86034644.69 38078251.15 48051114.38 44393512.31 58070762.98 48869997.6 63797948.16 34261975.63 57877030.05 32298166.9 53831048.71 46835047.59 44304954.52 61958305.07 52861991.36 37091752.41 57135428.61 61324259.86 46780883.36 90706430.66 73144504.41 39229453.88 54707942.64 84993052.74 54525895.94 74784051.11 57437176.93 53055246.73 69410763.47 40368968.89 50588140.73 49129821.73 37888523.86 64959971.84 68293993.3 67365620.76 57359765.18 64779761.95 50127292.64 47089380.51 52789526.02 54985545.26 78344356.58 78911525.45 43584074.5 63528517.99 47633755.81 52468307.41 49387136.54 59949916.05 30319763.41 52831206.01 78469593.23 76914291.86 53143703.52 325931.6937 381383.8882 368458.0401 353021.6076 394353.8948 4-Methylene-L-glutamine 658572.5378 67885530.33 49879267.63 66828635.51 54460712.66 44022191.72 64651822.58 110214137.2 229079.8497 105451239.6 154123823.2 47429332.85 58406414.93 77612039.13 113646021.7 90207424.4 70016088.01 85841259.76 57065717.46 117623712.4 139039079.3 92081469.45 106181264.8 98841274.55 126965968.9 52286081.19 73142283.18 54695149.15 74775557.47 85198861.41 143719863.7 155481372 157808026.8 129033985.7 119549089.6 50409580.38 67973009.02 84637533.11 73145963.23 80196004.11 109798743.4 70047608.54 65412095.63 82224281.99 84497301.52 68975689.22 95984552.8 100967508.2 54937659.18 75396946.18 98119995.29 155787670.3 54385984.08 170768174.1 74683910.46 162240440.3 138921312.5 45176567.13 108915100 95315060.65 122660964.9 65417370.77 109478908 52227205.19 86326143.62 226800.1528 79932960.8 86882717.28 86791109.69 108545130.9 101111978.8 62206708.13 90266761.44 68146818.58 100633781.1 117134870.1 76842430.63 90954313.83 68144519.32 103813750.5 84882022.94 106989775.4 78780998.97 84905413.66 70464312.48 69750645.38 77042392.81 290472.9356 129708902.4 85426596.4 68484826.82 153887935 57854783.69 66786922.19 85687437.75 2967607.278 147015.9661 60001817.81 75752992.02 125100027.4 79131754.32 93733688.47 148615136.4 93168607.33 99464491.35 75001329.01 152808388.1 107953539.6 70109105.43 89965879.58 82593607.18 103746994.8 78191486.53 85592705.52 91526008.66 68809173.59 84183769.11 109584751.9 117275576.1 69336623.23 131425888 50057838.09 90346067.41 84527339 98932265.64 100693699.3 114896022 97765241.31 110390304.4 128542278.9 85643211.6 54429779.95 73451908.55 96809708.67 132980990.2 256706269.8 115306136 152720630.9 83972415.06 121718887 129813857.8 120579748.8 218239045.3 171617724.1 130233358.7 129298038.4 226026142 74393986.07 90747938.3 73907343.43 100919413.7 122393894.3 78442370.51 82419145.24 147595280.8 119878115.4 86464884.7 119472060.8 177307164.5 100984219.1 118152040 112045741.7 94236430.41 73528279.27 103717377.5 76475759.04 99045291.81 101095921.9 78360898.65 110018222.4 149210011.7 138446.8091 135574.6863 140276.0614 132776.0262 127031.5572 4-Nitroacetophenone 947137.0385 1527805.031 1334434.589 1808612.813 696593.3139 2835086.869 3064638.646 3701276.783 950652.9913 3859432.949 1927226.211 3504231.937 1361873.296 2844923.096 1384877.975 3165590.608 2284801.47 2898528.206 5040155.643 4116561.174 4357726.495 1850859.937 2237033.147 1624162.616 3413623.475 1315729.266 1858997.644 856586.592 6570203.072 3350738.623 762879.7287 1423592.475 1794166.996 1020044.723 5315810.596 847967.67 4582755.714 1931690.656 1948041.082 4750630.213 3951307.186 1268822.526 4237912.599 1705771.508 2783711.929 1739846.15 307262.541 3701914.861 1192107.623 1437754.451 2149246.56 3387930.075 3691650.259 1206299.385 5073302.288 5143457.914 3859483.81 5354959.305 4597778.966 843732.1672 1322450.939 1230166.674 1187102.528 2846526.25 2381755.214 4962270.171 2571791.265 1075700.379 3899672.276 2482733.559 3667600.222 3116095.182 1183950.401 4763684.146 3513710.109 2019593.11 1333396.759 1867343.06 860471.0173 753249.2624 5387365.664 4806244.417 2547763.289 2536845.706 507698.7774 4265190.01 1136453.053 5004471.067 5097231.59 2660882.672 1812989.034 3706743.532 2820896.209 3431632.202 3085369.026 139766.6821 988318.9133 1539481.817 1948895.875 1782849.771 1068938.736 1643321.942 1897150.992 3459832.402 1511973.83 5772662.925 793070.595 1968799.912 613574.3579 4544734.294 2682923.313 1253123.97 1989336.412 1558709.243 1230070.778 3074444.083 2674021.273 3556613.833 1793075.542 1885919.018 3362641.327 1119662.807 2597532.991 2781640.836 1046142.158 2376470.682 793488.5073 1894644.764 1497728.594 2020403.92 3466691.921 4448117.822 593557.8377 1873327.107 1156853.248 567407.9007 2607727.632 2808129.932 5043876.488 1734477.321 1426563.267 1207171.632 2334123.909 2469957.503 1394275.08 5774468.101 1351521.75 942849.0914 1497369.255 2305014.056 2852067.029 770224.3242 1534877.43 2418696.656 3198773.025 2149083.018 3345543.897 1943598.94 934977.1674 1507661.183 3427967.985 1098418.302 2003658.358 3428218.985 963667.3537 1283096.379 1964132.006 2228574.942 1928943.722 2161676.987 1295174.763 1025445.918 889176.8624 849055.6214 702773.1999 660114.6626 4-Nitrosomorpholine 99495.07277 5681872.394 4658670.736 4485441.19 4638247.915 3285617.694 10658098.45 4132729.72 6827463.652 5866301.357 8227416.721 5051955.532 5207873.789 4052465.702 12674033.39 4814556.003 6784845.43 4872869.351 5209773.989 7968306.079 7551013.533 9398222.868 7750532.28 3707491.722 8056222.634 4757534.964 5098286.509 7939686.822 8105758.416 4908958.403 5489234.259 7017923.673 8060469.469 7607107.835 4527022.627 5674932.323 6202508.046 4339349.982 6605290.626 4448164.433 5643298.615 10579052.59 10048763.39 5762630.48 7895377.439 4155383.849 7301525.496 8845070.05 4973446.751 4354140.605 5586114.133 6644943.926 3239905.384 8961386.958 8377716.798 6825482.594 4996523.823 4108112.236 8344339.45 4079062.822 8922887.76 4612391.671 7371019.447 5748097.943 7101322.07 11592725.37 6851060.051 7643930.317 6200310.673 4781873.414 10309510.64 5340245.88 5613204.318 5856369.385 6988548.966 11626520.66 6070853.345 5815359.988 3600195.848 8535349.791 6025644.568 8841045.632 10260891.51 8905454.327 5801571.297 9163594.773 8129877.224 9045780.493 10795066.08 6081430.634 11361483.6 8353222.463 5757206.872 5433745.843 5353696.426 323461.5665 123566.4411 4795441.669 4581220.57 9472995.881 6271749.55 6967227.219 9427460.46 7087061.966 6308242.052 7183243.468 12659888.87 10888512.68 5605233.802 5342623.336 3544005.224 5481177.991 8490480.12 14617510.08 8384575.501 5238122.016 4733666.765 5670965.782 8710304.613 12747367.4 9892876.299 4887897.874 4837721.2 5586591.074 6782859.519 5309454.817 4592232.154 5284867.588 8966646.206 6198468.475 6490769.768 3885960.068 5393333.875 5270405.32 6054877.695 9849274.016 9684025.24 9924377.852 9913548.181 12362866.59 10108819.03 6633497.874 12228640.27 8670728.439 5500998.533 7847913.709 7802178.686 8780480.231 6079789.5 5482798.497 4712706.595 8170308.818 4416091.76 12308334.04 5888291.048 8020348.628 5260670.864 6593648.481 6514229.359 6584193.028 10630041.28 10070589.14 8081595.42 7336093.26 5986396.068 7378436.418 7526032.234 4833052.15 5727719.373 5223575.296 8798076.198 327363.9332 102844.8712 118368.7083 144858.9666 135704.828 4,8,12,15,19,21-tetracosahexaenoic acid 220557.5444 12422831.48 7169130.55 14496166.88 3824873.11 7263515.68 4403607.877 138179093.6 12604495.96 2597098.257 24667048.37 12116217.46 9689731.336 4784364.354 4606508.959 76835530.83 24731774.99 33978544.4 6414954.698 10936520.74 29582575.17 6153303.037 5293361.497 7171475.97 12718988.88 8353385.277 16079952.38 5599878.094 23640065.5 10178166.4 27106316.89 11506271.17 19237004.93 2606112.606 12646688.27 8969170.124 6840942.494 14049079.04 3700318.958 5239465.989 8542576.731 14355060.44 10469917.33 28555186.44 28496399.23 7739094.624 2115075.701 30719788.97 7925409.784 15013593.48 8501749.36 15437237.88 15052506.93 21448595.21 8222738.351 25903129.16 17297863.82 5445813.912 59924662.98 6500302.01 5275764.547 24036458.17 20698200.49 10642501.08 15092002.88 34735607.35 2532511.299 15088072.73 10106812.8 20044720.3 9730045.47 8334002.105 17011434.41 59105572.67 14312690.43 6966044.434 16191136.2 22517109.94 20502111.33 6641941.118 26711072.82 11669402.78 17870048.1 378952.7529 14264855.03 4221641.598 7952786.505 11280653.94 390314544.4 106099106.5 73079482.49 29963099.54 13430247.73 9144395.079 16271126.43 296197.6758 284840.5078 8914059.812 18295264.97 22607486.98 5888070.201 2547204.059 49951906.87 16392732.57 14488947.84 34715612.46 1903486.518 8537793.991 5800472.007 16548680.66 59873214.77 53318554.05 19392443.5 5997105.264 6048647.736 11542526.41 18174123.46 18717768.54 5060469.894 8021146.079 14034418.84 8038735.596 7489053.287 26123650.83 27048765.45 5103093.459 10655580.5 10354133.58 7825182.763 3792850.467 11182085.3 1843379.815 9969577.551 19259744.4 4986463.806 31920391.57 22077881.6 13304712.83 7552934.857 6130339.328 12629361.37 8711036.569 12165093.48 27929069.87 64184177.06 87107953.36 14835157.9 1271183.562 3992484.011 11707064.56 23109994.61 25082714.2 2917758.301 11274966.66 8489548.023 16774115.21 9764700.147 16004562.97 26894980.86 9825679.803 15251485.79 6761505.074 9154051.081 13113170.18 23794916.69 10852403.09 9771911.903 10425095.48 12068301.94 20427727.2 19833899.07 224510.7866 223322.5893 246792.9538 238249.3597 224380.7827 5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinoline 108719.0178 11739998.7 10257571.15 11529293.76 13370346.2 18150742.13 7603352.313 22016191.79 11601592.61 11757873.79 14214754.54 14206813.54 15601271.81 17577336.04 12564440.99 17963322.21 17549800.17 41598872.93 8669428.961 22798553.2 20025940.25 11675410.93 19534209.92 23183397.47 16362323.72 11958404.84 12983423.47 9854715.811 10437688.25 18380877.57 26913839.09 20322945.98 15537499.57 20941104.99 34709750.82 20062313.33 18563528.08 21466468.45 16450608.71 18878048.62 15314356.78 21013014.69 13492143.06 31063287.28 18174210.38 24097247.08 19315801.55 18019156.75 12387705.74 13482487.97 21238838.44 12079700.7 10982161.55 18974725.82 18227400.96 30596581.65 34893159.79 21890771.94 15632338.85 28348400.74 17729732.02 25788846.65 50113171.69 14820622.38 16838424.11 16253302.19 20343676.35 21305640.06 17854337.96 18694760.09 24695368.57 12872535.23 15991309.17 18823865.66 15126490.41 20132577.34 28387780.5 21304118.28 24548742.97 15879089.96 10429577.1 19685665.21 18997057.61 17863004.18 23752858.37 9129417.942 14949340.78 16447758.29 20375963.1 20981487.58 19645562.55 22734219.79 16204265.57 14332333.55 14980942.99 89742.69175 84931.00847 12655495.6 14283036.38 25319996.83 12242721.25 15958214.08 25172584.39 21048436.05 23345999.95 11720084.24 27632063.92 18929880.16 13252242.26 13720593.27 20742769.15 27115221.87 12426885.63 13197858.13 20251043.76 17620484.79 17213875.46 19014094.49 15841271.97 22111573.75 22885484.85 21440122.41 18008373.94 14895462.59 28505510.44 13062426.52 16376773.44 16778198.77 21627031.72 19143803.57 21260676.38 28786235.76 16431729.14 17609862.66 25270066.33 20348741.21 29623444.93 21269829.47 17315831.11 20519828.36 14735455.58 24022739.62 18672899.71 28417958.62 23674090.79 12883794.79 19159718.93 32991281.4 14552535.78 15955742.61 19345780.29 28713236.68 16160637.27 48167169.06 23562317.38 24683649.09 15524914.39 25212732.42 37249821.39 21618245.09 18256471.29 28195840.65 17298934.37 19847181.19 22106259.21 11894924.4 13656181.92 15395112.6 17539891.67 19588719.94 21476351.4 89566.46665 99891.77254 86650.54462 94329.43691 92638.16061 5-Acetamidovalerate 73897.0055 1428611.085 707970.3513 1116520.826 130983.5531 947699.2225 325344.6229 20816589.68 2159125.843 960521.4898 2162389.815 1050231.48 550310.9112 1474071.245 656481.6163 345785.3985 374697.8085 4186406.366 1848025.908 782854.9259 1386801.36 819259.7432 162667.5479 983161.261 167268.9789 971615.7265 1048757.041 1319430.022 4131799.119 1013492.94 640380.0174 164459.2183 199096.943 2685036.449 478831.8264 629683.4896 950327.4533 1399670.312 1074149.609 1392165.862 275957.1223 1728616.161 3581826.218 767090.8229 3664825.507 1337572.787 279118.774 2364428.891 930231.8666 1062940.206 1240322.839 5719896.134 311155.4735 2635168.901 2208775.159 3518679.036 1871433.765 291669.1695 1011071.212 1486143.18 650737.3295 1081661.274 1126347.675 1123798.345 1270863.822 1759337.04 794761.2307 3112495.255 181957.509 1020881.133 999870.0801 749013.2574 392103.1471 365963.111 2008837.453 2269029.513 664912.1703 1037767.306 2100642.98 2892017.037 1912016.003 1761611.521 403595.7072 289437.6045 1939628.351 519451.2739 487584.8252 670998.0355 1064253.123 923922.5683 1411824.536 1655096.86 1084137.465 882556.6649 973686.783 100404.4618 89956.46938 871486.5574 1137809.222 1901265.475 352785.519 1711260.894 1023316.028 822288.6434 151011.0722 4269464.555 865477.4065 416265.2583 258899.9447 486648.4692 1295479.365 1194633.244 637186.568 2648962.352 356433.282 966307.5544 963855.8305 2220996.279 435884.0401 1304088.776 502488.901 161809.2984 2214061.952 1256257.055 1400129.667 607910.0974 446517.0063 191670.7469 186177.2967 255852.4189 596937.8968 471898.8043 912489.4741 1177586.992 330566.5626 840893.1603 292152.192 1691194.971 195336.5321 466633.7011 375543.7744 1145415.755 352940.3414 2272567.759 257092.5153 723745.9768 4275246.941 1381546.191 208307.6931 976151.2803 1398819.34 199357.9945 1121178.054 1032109.149 1646902.183 411335.168 1764314.317 2407158.937 719431.0678 759087.3896 1521472.502 708627.7055 660713.0527 660367.7918 670819.4026 181836.6931 2335434.021 3027249.111 1020516.816 1411667.953 1877968.486 105430.5297 97252.67525 102766.5324 95628.90388 100121.9148 5-Hydroxy-DL-tryptophan 143944.6623 377389.5556 3106021.255 515463.7963 691171.389 689223.5234 599043.9354 1566016.635 765582.5198 662176.531 776852.2908 732190.2452 717332.8941 921398.1617 848605.7621 562049.8982 1181810.611 2588849.807 543635.2572 930356.4831 923398.9905 616750.8741 1135632.844 1227536.942 879411.8556 2599622.89 701512.2337 611873.2715 678232.4412 949008.5657 852916.5318 971568.6101 762066.0541 1349039.692 1128961.038 590719.3505 947072.4504 1275467.755 964056.7916 749591.267 867937.7833 1053099.69 732750.3288 1502910.201 696408.8718 1391436.444 909920.4465 723165.5239 251400.3856 962025.3564 950047.5444 748997.604 467091.7409 1367556.732 1111484.29 1767505.045 2004817.513 1553121.075 727122.0054 1021515.369 1030894.346 1031427.005 3221553.443 697913.4254 827426.0953 1018922.435 1018427.277 1199381.739 695926.9775 1173782.629 1624022.66 774236.6602 1050546.018 738418.4506 996913.0376 849857.033 1181894.41 871494.8461 991196.3517 999527.5893 630352.362 1051611.716 921991.2974 1067672.32 1059045.402 512139.7904 909951.4444 719033.3092 1080430.291 876493.4237 814096.1856 1225897.4 1187426.126 3863426.924 786971.4683 140304.3126 125688.1407 916805.2182 906813.7444 1223781.674 673053.9667 995147.1541 1059685.045 1547526.1 1095681.555 841804.4824 1551112.098 903718.2865 1013969.041 858750.0363 820046.7598 1223919.019 761933.1092 993504.2042 1249255.19 4034436.534 1060164.133 705860.0535 925851.3404 969950.2472 1237743.769 2143443.103 1295034.738 793220.647 986165.3661 855297.9122 1029497.142 899459.0445 984368.5621 1241192.162 1016869.403 1549864.418 1035847.006 1002529.415 1108124.763 1148290.027 1156686.798 1194885.468 914739.9201 975525.5766 706302.3244 994206.1877 1152685.195 1483298.786 1242613.938 580145.9471 1143895.759 1658165.11 858116.628 718898.4548 1132766.12 1240080.059 632478.0929 2522972.445 1351137.81 1247325.829 1080942.045 796246.1656 1321598.398 1003391.533 881395.4883 1269914.384 945561.1506 887370.3914 1039280.162 857645.3847 804009.865 756342.4685 832726.296 976757.4803 1194608.204 156328.8822 130496.9668 132664.5908 138288.0507 158305.5747 5-Methoxyindoleacetate 266193.4319 1498578.97 1665512.935 2186889.625 1150429.47 1816585.996 465679.6976 1234299.641 452263.4712 849638.7657 1219345.676 1359539.211 1695554.311 1813924.264 1725051.482 1861568.665 718681.6269 2661332.806 858124.5854 1661039.642 2564080.837 1336087.993 2358323.924 1729715.777 2526526.745 2486891.615 2323705.439 795842.3741 1008070.256 2049262.55 3286089.906 1473868.395 1288669.383 2841052.172 2488645.367 2383651.631 1492567.579 1526753.561 901989.4058 1296879.597 1746304.616 1318315.884 1655411.243 2084153.281 1451378.3 3311745.601 1161456.486 2054564.594 2292393.582 2429602.69 1921587.005 2038436.25 720616.6678 1749989.995 627069.8977 2404692.164 2664592.677 3284950.808 1605993.017 8251707.246 3028361.997 1440355.688 2801272.787 722022.1599 1320660.495 926588.4907 942979.0251 3121780.055 1165880.529 1369867.945 1585578.053 2237985.662 2453762.536 1848556.083 1086410.244 2689533.842 3271782.258 1194912.264 2868077.375 1433275.826 818223.3285 2710225.997 1650802.652 2432945.324 2604135.8 865709.494 1139484.027 2512899.305 1797485.418 3294771.546 1575966.653 3013545.537 997598.8729 2669203.841 2738831.822 124936.3674 366122.9306 2067038.595 2395438.308 1939866.344 713485.0019 1927574.591 3183896.764 1446267.247 3954697.591 444851.9915 1618129.534 1565124.047 702108.0277 996751.4278 1898986.62 1987818.157 1498238.309 750946.6729 2547964.262 2966210.947 3219029.564 2510036.282 255725.2301 1170216.27 1842528.609 726815.5536 2212746.829 1642848.492 3562863.084 3936898.919 2384624.82 2349371.382 2153087.255 2851175.026 1463705.998 1331306.525 2015670.517 2933202.726 3048188.999 11855299.23 3535493.999 1929257.131 2039754.093 2684319.975 1266285.996 2803354.604 3093923.209 1773937.229 1977474.654 1052832.827 10076693.09 1864856.33 2185631.893 1691915.808 3184116.69 3131915.042 2952125.864 1159502.297 1528463.644 3214264.814 2999503.389 4635821.83 5670724.192 2259317.862 1057870.188 1994059.02 952270.3641 2020690.113 1998765.022 1415493.097 4824870.671 2128984.515 695354.3104 3185250.059 2252373.959 375453.8319 326919.9618 318190.3764 261821.845 220861.7959 5-methyl-1H-quinazoline-2,4-dione 146897.9199 2651615.343 2563520.784 3255741.708 2380572.324 3491941.33 2248937.975 1512476.557 3667953.155 2115314.139 13896778.66 2678277.973 4810473.802 4247978.273 979218.7817 6301739.154 6197311.283 7099914.092 1624836.75 2469461.29 5896796.933 1882413.373 4102076.916 7867428.235 10327087.64 2847985.167 3927792.857 1096583.656 1168231.586 9694266.29 8142142.418 14923709.34 11531641.45 3616517.303 9993385.988 2472800.739 1250672.06 6157640.102 4537058.902 4468587.537 2850237.804 6265053.375 3135171.758 10017302.59 2005470.406 8543172.633 8086135.683 1155949.117 3121945.963 3841480.168 3410813.421 950165.6122 3480180.009 7632857.095 15249626.61 18573883.04 16605029.77 4921655.847 2263043.171 4134406.381 5078161.335 5051378.809 5613634.875 1945412.96 4282855.548 357043.3865 4367757.298 9108775.904 1944919.987 8173786.335 2579793.406 2904745.987 4171553.451 7064965.542 5498271.22 2286286.108 3341643.259 5061362.329 5599934.848 4930775.324 1512348.655 1443263.763 4372160.454 1075390.999 2239205.865 743017.599 4010601.666 2298028.206 285807.4657 4123888.021 689003.0346 1108841.608 1148972.511 3089567.019 3774615.897 178002.7243 173343.1855 2505487.687 3467822.115 3071501.955 2166351.384 3439650.277 4615456.059 4622610.313 2618601.113 342447.8033 2042542.018 4820976.048 6205643.604 2306792.204 3090828.622 5960962.09 954071.8631 4689546.033 7533587.107 3612873.325 3900606.407 2529637.266 6196506.614 1018791.791 3153107.967 3197885.325 5937368.437 2634873.002 4173452.467 3705912.671 3364484.997 1903293.651 4064455.561 10783985.98 3747832.67 1116209.338 3287834.284 4164702.449 2247554.585 1491722.424 1818480.972 2118285.037 2027566.932 484879.9606 2755435.656 3454034.742 3318238.082 5611764.699 4920750.22 2369646.955 2726970.811 19601195.11 4481975.499 3252219.888 4054130.819 3800610.869 2460106.571 1713498.431 5109213.185 1999746.735 4052864.63 5743020.724 4008920.404 1145200.608 1426823.703 2092374.004 2250993.164 6798831.501 1986856.223 5038309.62 1620068.923 1735920.537 2385198.292 4090033.552 3083411.223 184984.2955 156621.4372 165432.0036 147867.0205 162532.7275 5-Methylthio-D-ribose 147524.8421 2170521.609 2134221.72 2147960.084 2646916.169 1896003.652 1091530.79 4086994.323 2258893.216 1479660.898 1918669.358 697880.8919 2587122.257 4218149.716 3481520.146 2216763.182 1172675.918 5495680.19 1943678.296 2972951.551 2499594.315 2290308.888 2201180.219 4686330.491 1820639.029 2044785.558 2272873.618 2449830.556 2921058.282 3541052.966 3093670.174 3467179.727 3171773.717 4254335.511 2608732.212 3379324.2 3246280.183 4254614.773 3521104.815 3337057.319 3608040.267 3220188.475 2610733.648 4010062.471 3550223.673 4539396.98 3310867.475 1303692.699 2243120.829 2304157.535 2778334.647 2425069.376 2491594.144 2041967.062 3108339.929 4667702.786 5179219.411 3542286.743 3240899.994 3391868.926 3935071.053 3124736.893 3567130.138 2412968.845 2437415.837 1708267.699 2676187.965 4709420.187 2097769.351 1598580.564 4880503.544 2150867.896 2805449.875 3026044.931 3643843.121 2647598.86 5316732.489 4062823.18 2950076.958 3729000.196 2620360.588 3756912.913 3225979.653 3016225.843 3865237.89 2657553.797 3052553.761 2520904.297 3467814.207 4466529.974 2683684.499 4529926.995 3416854.41 2777946.919 3537481.013 172158.1059 181095.5415 2525381.184 2463527.754 3271500.971 2371728.228 4001989.013 4301690.191 1345272.518 4242236.511 3351646.221 3678510.288 2451425.891 3878169.919 4583692.286 1415466.699 5500510.891 3433022.964 3051051.417 875939.4811 3026552.671 1472847.198 1813704.972 4315935.969 3130177.717 5375924.232 2816137.847 4507836.641 2418193.879 5150931.633 3741682.759 4034809.662 3099083.745 4560025.381 5509168.52 3923952.867 4456295.99 4317323.612 4323307.077 5435793.157 6617389.87 7745762.361 3487934.504 4065504.358 7345993.753 5114535.369 5422205.106 9592359.778 4935504.059 4545715.909 2916851.795 8595173.525 5221113.259 4026442.808 4843707.387 5245422.794 7092896.956 3882065.372 6696482.563 4806200.181 7963019.202 6551458.27 7471128.848 5923536.569 5119097.329 4394611.728 7179669.034 6326176.729 5720296.224 4187239.707 4659501.667 5253841.739 3949013.423 2518387.127 3038944.431 6126222.152 214326.8668 163216.0229 150284.1645 144686.7179 158400.9936 5-Nitro-o-toluidine1 264213.1538 34684391.79 30258579.84 38652567.28 30677667.9 43322100.04 25864710.17 16899393.22 32717946.01 22513107.56 153365232.8 37497482.94 59706178.96 48821922.82 12476627.5 78833019.06 66762990.45 77424397.24 17254728.77 29093943.13 60822386.2 23609452.25 49115031.61 90915819.78 115437377.6 32917200.46 43220877.63 10876240.48 11002290.13 96938144.02 85184760.79 147117319.2 132849235.5 40741165.35 117466831 25815109.93 12867293.26 64421756.36 43270113.87 54227454.69 31333725.41 68288782.39 26801795.7 104133974.6 39842885.18 76319005.3 88232375.92 12559381.81 31550247.14 39754063.91 37530589.14 7842893.476 35838598 69815170.55 142393064.8 188045131.9 172944968.5 55192428.45 24723828.3 42488886.95 55621891.44 49286270.66 54622445.41 21140526.92 48616398.34 5802015.521 47759247.83 101040302.6 60955672.65 82419462.78 25934477.22 31913143.19 43390554.74 75046006 56218072.02 19965254.14 36606346.45 55905502.16 61394265.66 64348243.95 17214913.07 16108424.83 52337309.31 11746049.13 22399144.48 9134343.758 42825397.79 24152495.47 7028497.284 43393279.12 9517360.136 11204232.39 12096203.2 31808905.39 40537481.96 286370.2738 243092.5659 28963562.2 36316556.28 34788746.7 21901677.85 35146704.68 49582536.82 43961849.64 31153051.68 6076508.157 23007591.38 45619996.02 63409407.38 26322531.22 35418222.09 63340125.26 11145981.34 44928496.29 76716125.41 40750697.25 42226302.1 28843832.12 57617721.97 11708294.75 36653719.08 38145918.55 29843619.92 25152956.66 54427858.47 35773065.67 34053197.26 20882528.13 50064123.81 93633567.5 39925300.46 12426517.01 35639182.65 42876548.35 30234152.12 15911054.11 25341811.58 23300984.54 25554427.84 10273458.74 36537688.03 32736811.95 37710203.47 75667765.49 58891499.86 25754152.11 33406819.14 354197914.5 61420109.82 36303770.57 45680007.99 43206368.93 34891112.37 26552778.14 66009778.42 25973869.78 58154082.5 72755573.76 55625284.19 17351933.78 20157662.99 28009956.86 54105233.98 95303805.61 31492391.38 64443038.6 25163072.42 24940704.24 35438170.68 58121420.66 48500132.17 256652.0939 272006.0376 318506.8913 262122.9621 259856.3014 5-Nitro-o-toluidine2 187432.1384 21873062.45 21516055.61 26264235.72 19776517.25 27737577.11 18901839.56 11855509.83 29442381.03 16015248.27 102444479.6 24422901.93 38323843.5 32859142.06 8551857.767 48880815.29 44819425.99 55213039.75 13193181.5 20187068.17 44566446.71 16495263.95 31925811.68 61010930.25 80683280.38 23160578.86 31156411.14 8451365.508 8634582.365 72311987.94 63034268.37 108230474.1 91744194.89 28693867.4 78847526.49 19846294.47 9198891.479 48489872.15 34203510.28 35622610.81 22713203.86 49892223.37 24006421.94 77561636.36 32626674.13 67266364.19 63631038.06 9693768.744 24914300.5 30228784.57 26316760.51 8692124.742 28483247.32 58123947.84 116796833.7 137893692.2 129989001.3 41071946.14 17925208.57 34096674.15 42466696.33 43578516.5 46559307.86 17149425.17 34387408.46 3848443.553 35730689.87 60400652.74 46959996.49 64198295.84 18662715.47 24142768.76 34595938.96 57890446.76 44351387.57 18454330.74 26324903.09 42013938.46 47327769.36 49675408.95 13495765.49 12744894.43 32748804.06 7691992.849 18204704.68 6174840.668 35146562.77 17447237.39 4814616.478 36284031.9 7265044.06 8922164.971 9521759.753 25834487.26 28632205.82 227119.8345 221174.5678 22178575.18 27828444 23830667.97 17092558.29 27794226.41 33323998.92 37560327.9 21237263.06 4941499.573 17181111.21 40863063.28 51623092.06 19666337.53 23606954.57 49656061.1 9268632.164 39750889.88 62448936.74 31477091.88 32400683.4 19444960.7 50341348.87 9896483.312 27253548.24 27415851.08 14180206.73 22994779.79 36861095.41 31013511.14 29513785.52 16105011.95 34211949.79 87166155.55 31393846.51 8914859.725 29169682.28 35861817.71 20666288 13551686.43 16784492.84 20566255.92 18648155.82 6502342.084 23884167.52 29809754.6 31318557.06 50385887.63 46037700.77 21256550.35 24276587.33 140593074.4 41543549.04 30202899.37 39168567.07 32796121.34 19829448.71 15998244.13 44594986.23 16446676.4 37534815.75 48540745.59 27459838.97 10273222.92 13713593.95 17928640.69 18793518.93 59571651.73 18538028.91 44026040.56 14502017.92 16586033.63 20496470.69 33323549.71 28000057.3 236027.8628 199838.7105 211080.4171 211513.6988 213401.0572 5alpha-androst-16-en-3-one 80439.04053 377602.0771 178460.4781 178308.8027 89827.4611 98329.81484 92475.52512 131151.0266 97094.10023 84231.82722 138932.8216 260477.268 481262.8554 128520.776 489748.7856 508585.7199 84997.24102 86367.67598 96566.06488 319686.7053 205305.7678 144920.8166 162054.0674 214374.8216 224272.2243 667047.2235 127098.2335 201817.6631 222010.1173 188374.1802 135087.1075 86608.44379 111757.0191 82590.73366 237144.8317 228551.8801 230739.2916 710948.5056 566502.4682 93920.27468 127206.3087 216146.8095 1027441.838 725931.4701 429689.4339 866557.2576 213031.522 786503.0049 666115.9789 225303.3144 476099.4572 1123762.143 1597390.719 80718.09096 157592.8724 670948.3594 982327.6274 97357.81454 558290.3692 79326.37719 1122381.799 748355.4654 226166.9548 107263.7961 103074.3193 103023.6679 343517.1011 178762.4735 94539.04343 118080.0063 220044.736 576943.9074 86173.25901 1240273.999 334622.6312 85950.46826 249149.3127 114288.3611 1306584.561 144148.3261 128096.6664 296640.6044 208130.049 364698.7562 428072.6166 126942.6218 166768.2511 84118.82026 617025.0277 191360.5587 435601.9455 104775.785 121884.2535 295803.9007 117483.1411 86090.71603 86661.16335 688817.6167 188892.8677 88827.85596 88155.70983 2378454.5 613437.8162 446267.9545 392249.777 546173.9647 195981.3563 156661.0623 369192.9841 171675.2842 845796.3963 652898.3272 106616.4278 359691.323 105397.2836 1028584.038 185541.6008 372400.0634 270115.0423 575782.6819 294665.0854 426480.532 86870.59024 415735.9541 300632.2354 83471.16889 166548.4606 339948.3855 491389.5553 300534.0787 319001.3428 764786.8843 780467.6392 94762.21015 1034682.358 1106235.613 891067.1626 93284.34617 620596.3402 715164.9547 441493.8748 333523.6979 78799.19557 477385.7487 124719.284 998877.9073 1013859.815 730020.5048 945298.8775 814812.3995 288868.8456 842338.5327 591129.6702 174573.2665 143684.7541 243966.7627 207347.5333 923155.7857 956692.4998 154196.3705 314447.2576 900590.7844 502923.9153 745117.2352 85702.3431 761995.401 1728898.363 818121.5259 690812.7026 98796.16125 494538.0859 88655.72252 90990.28712 91017.44415 89124.97997 92582.82088 5alpha-cholesta-8_24-dien-3beta-ol 458822.2765 1669049.379 3377629.232 3478704.955 1942377 813559.4069 1870051.298 2508460.79 1227863.301 1088740.78 2439567.897 2009170.573 3250579.085 881052.1638 2501287.413 2021756.593 2459445.246 881170.6453 3446020.916 4135256.667 1704413.211 2532665.026 1826017.394 4445152.325 2376429.837 1056132.282 3400832.195 2439703.297 1840617.336 4169627.328 1638526.43 889620.8796 2393996 901270.1632 1912368.079 1611988.733 803138.2192 1005393.569 3229315.241 985290.6663 4720513.95 393423.6226 1938989.098 2174619.587 1773383.83 1020318.066 1821833.915 745986.5115 1803523.418 1354869.947 1201314.931 1861686.724 2523599.93 3004000.264 2327566.676 2830002.751 2764140.525 852743.398 1720925.7 2359451.145 2463062.799 2862409.457 2512936.028 4334419.44 1733823.765 761425.8746 1769444.956 2599646.268 1130294.289 798586.1986 2449391.384 791677.2617 1579771.505 1163113.183 2423119.072 867523.1036 1928683.116 1394113.746 1995399.895 1808281.971 1981449.747 889125.231 2078639.809 3590844.272 513984.1273 1451880.521 1502269.383 712250.3209 1095122.32 1023235.934 1423441.595 493337.6711 897392.2875 645363.7717 760970.7142 820840.1751 248307.9976 1244916.144 2264998.514 2181616.828 1930257.3 2304324.594 1993056.727 1263206.171 992019.9944 1146091.654 998165.6072 974507.694 2365223.72 2544525.267 1307609.357 765639.4075 2491458.439 2396212.313 1796953.924 1546289.018 1090376.804 1081373.673 1868716.499 1584183.833 557380.1979 917900.7988 2555578.037 731211.4809 748186.6887 830159.213 2112748.11 1035265.965 391253.3581 641951.4723 934616.3215 1238244.171 726293.8445 715293.7185 715492.0176 622918.4578 400681.8143 721135.9142 1635896.288 751185.3884 529743.3438 577460.3031 669288.7714 633872.8886 613748.8712 993557.6073 672005.3105 645770.3817 910821.4055 698846.4307 738769.5184 430717.9364 638621.2221 307746.2385 655171.1107 160696.1786 837456.3197 497171.4655 181031.4921 482487.7245 224138.2361 208297.1946 327944.7779 212287.6626 388651.5437 1005210.087 730486.9502 311611.5585 2853221.608 2031493.44 171335.4987 244136.9147 202610.3081 309274.6646 212484.3587 240188.031 5beta-Cyprinolsulfate 272708.2185 481681.4302 4144639.155 933960.542 16902160.14 8814150.94 49170197.88 313617.825 11340002.06 9363786.006 9939514.33 10346610.06 12824739.45 16615607.53 12033596.58 15535198.03 16114762.21 1636834.998 6488623.71 13845935.95 14135723.83 104619.391 17766006.46 20468791.68 4926074.428 4406455.513 968418.7135 10351645.85 614137.1571 6787021.482 16413601.9 13549388.75 15506706.98 12132105.78 9988582.037 16485951.31 19563309.36 12606884.91 15259184.71 19966953.33 9037146.402 11214612.33 11252579.61 10155918.36 9911045.61 3170201.962 9942566.97 9120881.57 4354437.945 926339.0908 16608279.17 443058.0794 12165584.11 99338.29437 10018328.79 23569242.91 18907955.49 9133685.915 10948727.7 14358845.52 9673998.263 7799135.87 10404636 13930679.82 8306023.229 14528747.12 8193835.273 14255714.3 10573463.24 9194276.326 6648134.024 5065094.104 1702322.798 11478854.12 173692.9495 10449523.68 11612360.05 509556.2426 1566116.717 12176780.13 15133437.53 9739409.994 82677740.73 5498542.566 8317516.258 9879863.085 9754679.248 13907353.83 9368366.474 1840867.938 17733270.39 9362232.76 7592964.561 5433929.491 1388428.812 469554.4458 67288.16005 4297989.685 922600.8393 19202357.94 89534.01175 71549.63515 15207645.61 8466984.676 2624079.601 16421896.03 9035917.577 10787462.23 982330.6644 17664759.72 10141591.8 725615.1907 14735386.07 346532.9089 2870881.151 6199850.366 979824.7283 13568587.27 94162.2617 15390938.62 92822.35207 13741979.42 164360.0058 7955574.96 10610547.81 93433.17264 196266.602 19575477.04 15920366.94 474302.5718 7832711.842 3242928.842 5980679.284 1139067.576 341465.5254 86320.60022 128968.9172 21831984.36 17469130.54 184407.1439 78738.50005 2955933.078 101956.6067 9388970.968 546807.6897 7926772.805 2723951.505 17282509.39 12469170.07 4968208.21 1270967.569 20799641.78 6752513.227 8013926.51 12447648.72 91042.66251 6940647.822 98675.29139 1800417.162 13290226.16 8103629.236 9843588.849 13451591.6 15078320.03 12672878.89 14184887.52 102252.5704 10368719.19 5449711.842 1186633.905 520766.6876 82701.95819 86991.60949 80701.45502 73058.64552 220476.2056 6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid 63600.05829 505538.6828 418188.2586 854242.9205 283020.833 524948.2108 644063.9956 725211.6671 741606.3895 655482.747 704762.9802 625385.0208 635246.4144 716549.9194 1585766.704 438598.3572 620548.8083 1003439.585 516418.2089 1286191.684 571201.1904 929214.8684 728751.8842 532757.9991 709812.9862 520579.5769 491029.1816 799338.9762 972997.1072 466608.9501 768303.0098 683010.6146 1199810.948 877224.7247 875451.3206 535003.2356 1080006.817 933246.9034 1070063.37 872160.8023 1222659.942 998716.4777 558998.5681 843609.0661 552692.5427 935822.6914 1374907.222 1023429.19 648285.1116 527201.0192 654108.6845 1123923.203 313796.9926 511952.0525 1044377.607 1313057.455 1498807.344 353568.4961 831095.6723 645208.4747 1422377.869 990035.8629 898258.0816 631376.4447 820111.0166 1455645.806 764164.3749 1122964.528 542656.9641 590298.4138 1408009.79 683608.4047 673201.0355 823156.9847 824717.2473 1786093.362 905132.2349 826343.2501 483843.1863 700038.6501 909505.3513 814638.9293 965438.7787 716043.6658 818993.1839 903718.1411 1144845.779 1690915.361 624719.1223 990751.873 1542090.876 534195.9892 1101381.232 591451.0742 642241.0672 61010.55882 57435.4049 555175.4192 581228.9238 822538.5921 222177.5284 1020488.915 883485.1625 576242.4817 611735.5744 993536.453 1062400.908 720760.9873 913279.6257 510228.9799 238756.012 1232600.177 643349.6502 899177.9433 514189.5295 712951.0282 625922.8786 229141.929 92138.62403 863953.0306 762475.3621 544320.8029 530227.5023 515614.9219 315383.8559 324732.1321 955929.9945 827267.15 697254.7584 859662.067 937122.7701 729593.4667 741484.1784 646580.3094 629026.5607 558959.2108 905638.6249 831809.1781 1206455.633 860371.2848 797753.2972 852340.9929 694893.2042 742098.009 655929.1594 525495.1056 969392.8432 844955.76 826740.1044 697414.9564 715349.7588 870714.7887 453875.6054 1291961.29 668096.7574 774785.8566 549011.4731 676541.7937 756141.8631 974661.8789 1253094.498 1026564.651 1501991.422 1144120.734 775470.3133 1013438.494 614312.6528 628170.0496 761898.4534 808777.1478 811138.3195 61807.04126 69324.37578 70224.86429 62646.67898 75724.3866 6-Hydroxypseudooxynicotine1 74038.19466 1193333.257 1561915.148 1642216.483 3366350.033 349308.9504 368230.0899 1739784.075 877904.3637 759409.357 1721154.343 1382425.016 2154250.055 639950.8904 395996.0242 2401367.411 1930205.674 2001603.699 1421777.08 1706595.139 1558661.181 2573529.773 676911.7992 2101952.593 2156816.552 1251219.604 1798485.559 1460778.422 1196875.537 2679811.579 4988722.098 2258653.367 3297837.775 1130470.774 3096325.738 500292.5168 535031.0545 1711740.12 1172207.615 1497446.389 1469531.969 2079518.922 2765832.484 4776984.259 1036385.602 2973622.332 485926.244 2762269.787 1564150.258 2089953.113 711393.9262 1506743.802 205194.9309 3261189.525 634297.5549 1398510.232 243620.251 670939.0002 2821488.467 747777.4803 4062117.361 1366955.859 3700599.326 881445.3868 1599088.692 1186667.453 764688.1214 3911124.042 1075022.803 928634.2213 2597334.223 1588048.693 2564667.231 6296562.81 1160325.789 6198140.823 877998.3748 4545502.582 1353853.294 2411478.148 1649090.249 836405.3583 449791.9929 1150408.262 2036435.328 3566081.012 336742.7798 4833517.118 4209337.449 918795.1003 2970062.579 1368514.835 748261.8467 1354177.609 2254353.35 111569.1859 80123.46753 1001536.466 1997198.37 3224734.543 1361696.202 1694000.772 933800.0469 1308464.542 774279.7863 2396966.485 2751716.383 2368600.542 1594516.009 2130972.221 1162392.159 1054921.176 1488544.849 676608.3503 4206357.212 2248920.816 2372935.858 1810913.722 3464844.337 2797814.552 888314.6293 1730674.854 3859300.038 1758250.382 2098420.841 2442926.485 1506133.434 1386175.511 1883342.593 4367445.502 4870126.431 995285.0357 1652375.759 2492682.45 646889.736 1971746.719 1765548.812 1380218.189 3799434.517 1841896.614 1867231.649 2461145.651 6108871.981 1301322.255 1752448.543 2801471.812 1987536.949 1108829.63 1050723.876 2103218.796 2386699.314 2302552.696 3038231.537 2041630.249 1541743.887 2526441.603 2808903.126 2722234.393 1304764.405 731185.9846 2093688.864 1425792.371 1819653.601 2499606.918 1675236.639 1663895.427 1156088.949 1440661.512 1515605.419 1744364.574 2743453.602 97541.5766 102600.9411 95182.11333 86167.917 99108.90191 6-Hydroxypseudooxynicotine2 88628.17535 865094.8556 578485.9048 680550.4066 850300.2867 510042.5645 1125763.444 80095.50641 953990.2894 316626.5135 1323881.178 372661.5153 854150.4614 770307.6474 948066.1609 782228.9532 730685.0401 1464480.308 1030311.685 1658714.472 915264.6011 1338511.507 1529060.313 1629947.251 1261541.172 689512.9578 348041.7235 1196253.193 718408.2895 518709.1236 1774830.518 1095984.973 2068894.482 462286.1124 1917452.247 910018.2766 823970.3431 1785895.759 722100.0283 802570.7078 1978429.819 715383.0365 944845.5416 984371.8698 947757.2406 742502.3431 1081721.23 630751.1797 787079.1151 840305.634 1386528.05 971914.7396 515546.2274 1479393.99 1391578.468 1956060.855 1522049.309 577012.0439 1263254.62 1143295.805 1144116.134 1223922.935 1860205.862 415074.9974 573105.8333 526575.8779 998732.7466 835032.0117 647023.1914 1179082.42 716228.7538 883458.8623 750778.2212 1030557.599 1672402.182 420743.0469 689750.2579 1087434.602 476602.0219 748173.3843 494056.2364 655974.2108 1049562.264 1485093.57 735507.2704 1346572.125 1063708.198 797602.4937 1588653.689 566249.5574 724086.6373 613066.9317 1118429.765 413266.5033 731726.564 73158.59897 74517.38172 478883.3933 990807.5015 1030622.358 659091.8786 170905.5067 666480.9363 527495.0067 646936.9109 767317.1757 882822.6574 1792527.906 545582.6736 1608398.487 361711.5948 416004.8207 560336.4625 464534.5962 1446658.526 684945.1082 706427.5578 1428275.378 1028241.04 1381570.397 1207901.848 790389.4861 1111928.076 1487400.608 1183869.016 1127478.536 679802.5899 1312140.36 749401.819 390216.2222 1323842.299 754007.7498 399123.1943 743214.0212 714357.3478 334162.1304 1188456.853 1450468.475 1545111.06 649405.0377 464989.924 945685.1807 904394.2781 1560517.997 2301473.312 846190.6005 633028.7351 951566.6005 605224.1168 478726.1293 775028.8244 744294.6893 577282.3969 986535.5703 2919984.728 360481.2095 670727.1778 617182.2155 936268.7202 802992.8324 1625492.793 372715.716 1255790.14 1016294.443 1378729.363 1028530.412 334819.6597 819745.7229 734265.438 679989.9711 1358310.468 69690.62199 81432.16997 73833.44438 76816.09718 75518.9967 6-Methylbenzoxazole1 108862.4796 3707870.539 355716.2859 4097065.528 952089.9151 3562821.389 3345270.178 21961292.09 3244661.244 4678524.328 5207547.811 4774158.198 3068179.262 4269001.698 4703106.506 15791256.48 10804992.65 11007488.67 168885.101 5911195.115 9920162.708 4062978.699 7125737.601 3926104.229 11138522.2 8761968.288 7943637.088 3181727.487 16465813.92 6407397.81 6962534.399 10311391.99 7790949.237 20648131.5 12774826.57 3993156.812 9544842.346 18320632.08 4515035.965 9255042.378 23613761.95 18885574.3 32734289.8 17971655.56 36720368.2 25050418.76 275405.4696 32122098.86 19680801.15 18522110.04 23833862.67 28444829.24 12742331.73 19359617.52 24247457.29 85071417.29 50301836.5 46925988.34 55516237.24 6171904.606 32847055.33 14638460.09 7033375.464 16626150.43 8684170.851 24969858.55 10912717.99 18749321 28567134.14 24140085.98 31385178.77 17202459.2 23885767.29 35988616.89 24896387.77 21996467.73 14730424.77 18489418.9 15602114.31 7793837.461 28075306.72 18310929.55 15673279.89 7262682.127 11736693.15 25077014.26 6342795.044 23431458.91 30819572.37 44605773.71 35322618.26 45388142.55 17135197.75 18947272.69 20262933.29 145468.7263 130856.0467 20417614.26 18986997.21 30404764.06 5466092.549 8078569.29 45374120.12 32163138.78 27865723.29 61533967.08 11135222.37 18221789.75 7732852.429 15545910.72 28288996.36 34955039.35 21951362.98 47539388.51 24848022.42 22807245.97 21256752.18 39233855.87 19019620.4 47607722.3 28143646.5 12571251.68 21305174.73 19025702.28 28646250.05 8153329.353 20587999.94 6718409.203 24549726 15965286.05 27600366.67 23668591.24 20345574.77 21169395.61 16292896.94 18492437 40229276.58 42937415.97 34517338.17 14210089.23 12588756.6 22050041.63 35750155.27 26983377.29 19252716.76 31048006.86 72334138.02 4993923.123 19320956.7 20166148.6 23867321.09 17804577.39 11645871.05 28222767.85 28299956.43 41267152.38 21323616.99 52833604.1 20896460.07 7666339.071 22955368.71 21393381.96 13123836.15 17487535.92 11815437.77 22346918.12 25775278.34 21946392.9 16914551.11 19947216.84 18209139.37 161663.4746 149165.2539 148933.0755 149631.8183 143877.8493 6-Methylbenzoxazole2 949620.0703 21497172.92 21717541.94 28495938.22 7096207.521 26250293.74 27377174.83 81562470.6 20557332.61 23128551.22 27997806 25460951.61 18753892.72 19289907.06 24273528.25 57584322.4 40925524.79 59865923.62 48395407.93 33006813.26 34713632.06 14717223.29 12996332.95 8278948.013 29613798.87 12141469.43 15819623.09 8490162.347 32293793.01 18514861.94 8046346.607 16638164.82 10570330.65 1022718.89 26312351.48 11593193.22 19730728.66 29391415.39 3693349.979 10267922.99 11208412.72 23007597.13 32456118.21 24920041.25 31258712.58 3955356.118 308068.0661 28551019.86 1195232.874 5088472.958 8327131.66 10566013.17 7267228.541 914097.2911 6976181.073 43093681.24 12485677.66 191223.7573 31170977.64 968952.1381 5531314.876 1233391.702 1190214.658 1923113.432 2649708.677 5964816.54 838554.3385 1078520.454 678447.1181 1552335.639 8709530.895 1884868.766 1187054.267 1270437.538 1374318.954 1100629.141 968504.3247 346014.2695 2754080.529 354424.5344 1587694.401 898276.2467 3021918.177 298005.2775 1571966.277 5338884.46 1129256.305 585428.8365 1072181.363 1419119.113 544597.5006 692657.9416 134325.5501 467292.2359 804977.3854 140133.097 990909.9083 442321.8335 890184.7517 805072.6698 1407189.943 122220.5074 1533839.708 835242.4176 8192321.981 1053974.316 387350.529 360063.7431 1213577.89 545744.4923 428079.4325 11626252.43 548597.905 1313970.566 7759101.64 584013.9906 457880.8304 965840.4913 921713.8824 796127.9208 475328.1373 3922438.585 1193976.212 208047.1655 1048884.743 739739.2319 4251597.259 647680.9118 921342.8739 482864.116 799478.485 239479.4791 1209094.105 1109067.649 5534179.537 2518985.92 1105817.654 513688.2506 1101047.246 1018341.018 560957.4238 348148.5118 973853.181 7441080.648 2373602.686 305622.1715 1410401.498 1285471.836 4465110.485 830993.2742 720165.1094 4615368.288 4063926.044 522996.13 667966.265 1004355.505 795455.4479 324679.9741 937428.3206 449114.2226 336934.1045 6776696.033 1218675.093 6395788.647 3247987.004 5905401.546 400905.3304 699389.9976 4423842.84 9674722.841 1121752.568 1028134.246 891507.9447 851281.5211 704615.603 661845.2312 7alpha-Hydroxycholest-4-en-3-one 448232.6169 4880099.852 2547229.621 2998875.425 4193179.238 4397679.615 1637774.628 7942595.204 1357481.584 2935045.257 4694989.187 9191736.273 28220933.32 4070850.705 680467.6202 3039226.135 17448220.83 6298942.158 1349443.838 2662930.283 6224194.686 879859.8147 1143072.195 21392322.63 3070239.888 2791296.769 3153814.38 3523212.432 820620.2176 4476412.752 5966536.944 9802531.632 2123435.279 3762758.041 3871734.463 14072767.64 784601.7166 1423327.919 2625301.522 582364.7483 12311131.57 630641.7025 2568339.377 2267715.032 3954397.438 4791554.772 4068580.888 2031275.469 2748220.54 3048590.773 930286.6154 734824.57 11812489.32 3676772.992 1731861.089 8147507.378 12965257.86 1892662.062 2711967.354 12403677.07 10505707.5 5956021.761 2122905.719 46715727.02 4605978.034 743852.0966 2935351.168 15604046.89 1212335.933 2881560.005 2177439.189 1019903.979 1970007.752 5021460.2 1444713.548 2788953.608 5259835.959 3992552.948 17558026.25 3426854.476 7457753.626 2422060.246 5557921.44 6423725.166 7102352.511 564777.2089 788905.5126 10063528.12 1862346.625 5309966.544 494583.1987 1819780.827 1381339.788 744644.6653 870751.9874 801895.1097 242577.0266 2538467.534 1357201.202 3345466.144 8298610.611 7171807.584 18458412 2445049.029 1217377.534 1314915.987 699327.5703 1344264.163 3588507.136 2999412.928 4564569.986 2453249.435 2589759.039 1626520.126 2691414.025 841026.0413 1467824.497 5803328.895 5041565.2 1798356.119 2597662.939 2748082.084 8094232.366 801474.4918 5490121.487 1167589.214 4627977.174 1802810.136 897544.6046 2019161.257 1679713.077 1766888.469 709530.917 2124418.634 1004586.069 9637859.986 785002.6552 1104818.093 2598788.33 3157295.569 1184887.014 564132.4672 1826840.369 4196232.216 796536.892 970626.208 1765732.618 1701673.188 4510516.486 2059273.974 1501278.238 3601143.812 18234422.42 2360823.107 735948.2787 5673738.81 6110760.045 1333943.118 1454552.13 5499958.399 1544898.863 4505422.822 1469458.99 420480.5614 2671211.411 3254285.027 713627.2455 2365196.627 2775643.777 3103809.133 2427656.214 232840.1971 184073.4667 197389.3198 196042.9279 206083.2196 8-Amino-7-oxononanoate 171008.3128 15641873.46 6363890.847 9112533.542 12674851.85 14877184.8 12037973.63 11814258.08 11212946.5 12767981.56 23480341.43 14267778.33 10590979.61 25501750.4 12365394.53 15498990.46 6540116.414 10627561.26 22989785.38 16496686.45 26444333.89 16952731.65 18741119.64 26131924.73 14996579.37 6239328.622 9190304.628 26259723.63 12460143.73 16538515.21 24234480.65 13370107.95 26950402.7 6668708.733 13041657.45 5591664.178 9337353.433 27613207.51 15948730.92 10305064.89 13838802.25 7190889.369 8342016.373 5916939.885 13387068.26 13341853.91 11721547.69 4722503.381 5665374.498 7828485.137 16457717.59 18880592.42 6399293.998 13867090.3 13671571.78 16716553.67 16174264.44 14470722.77 16257263.53 12375029.03 8722816.835 12158773.55 23294342.9 4414224.755 9021394.998 20345711.33 22653000.1 20135231.83 18855989.49 28728492.28 17705766.85 5527948.588 8382629.943 14031143.32 7985624.182 22587864.56 11480457.03 9812457.001 9983588.605 12540914.23 4226192.946 14145886.23 19679238.89 25139785.53 4287254.222 24591643.3 12604276.56 14784866.4 10530803.73 6959578.492 5859671.121 12333275.26 22778463.25 5836773.341 7995841.274 147495.9169 145750.7711 5160599.581 7264715.368 8775298.133 8184999.842 693498.2085 7881400.649 8094615.296 12350506.11 11109613.75 6695825.491 11743470.63 3718716.686 9295671.957 13036036.59 1488686.374 13842151.22 7755034.549 17699535.62 6138822.871 8449667.2 7809124.303 4251801.514 18200525.92 8931328.849 6934631.718 16214303.51 14844406.79 33566239.01 16097238.52 2486370.601 20720238.48 3918960.4 7306316.51 14043640.5 9922087.286 6474853.466 7767493.637 4952408.928 7946016.352 10737224.23 21728283.13 9552356.66 4861653.27 13378509.65 14377498.7 11265737.25 20522127.06 38240704.69 11021071.6 12151156 17354294.13 18801818.12 6062015.162 8626436.74 3916795.37 11072779.24 8087500.807 38887979.3 5698750.653 10003742.42 10138955.47 8693803.986 14965731.88 29584809.02 2366432.33 13098305.83 14053135.88 17093001.49 10244311.72 9333737.898 9327713.531 6623102.724 9074557.544 15811996.99 140035.6565 142284.8561 138610.086 119651.4095 143934.7269 9-amino-nonanoic acid 461423.9782 281313.6191 296959.6732 523901.1546 1222270.922 1036307.436 70355.24382 118367.6662 404977.019 204117.2255 306239.7355 823484.3465 560716.9926 448736.8118 453630.7712 80180.54745 105756.4442 159201.4046 71940.66275 117512.6236 383799.7272 1152791.875 88053.47167 83710.9622 82280.52665 510383.4305 370513.0689 4700546.863 285950.6047 76656.40892 3872673.916 84510.61727 147918.9753 421043.0583 174351.3653 86760.31484 2666676.41 81426.71216 352310.9573 7770571.575 373392.2276 93287.42565 77568.28541 93362.72646 154711.0906 543509.4229 1056884.022 139165.4615 558087.7412 510368.0663 97292.65311 81445.95145 77767.60301 397200.285 86446.81029 86384.95985 77891.35248 143882.9759 429464.4268 111629.7747 2053381.922 810267.0962 482711.2038 174167.865 102879.3896 91833.67379 265951.1457 13036868.79 305255.6799 158228.868 86277.41113 1072897.551 521205.6498 547012.0627 75825.18619 496360.8787 81583.23447 96759.02661 115637.4266 162451.8605 687479.4023 84002.88444 87554.75356 168974.6785 450690.2031 126129.3967 328125.4762 90288.21548 119572.1442 88843.32185 217240.3303 277421.0922 76925.89608 870250.3945 429712.8681 169106.8212 443448.8913 384528.5901 333276.8878 396376.2627 432238.7634 126463.9233 137097.2677 373058.4756 338874.1427 2398242.596 130883.9525 114652.0258 238311.0319 392097.0241 100025.7617 545122.214 201974.6302 181543.8025 544969.2132 644849.6364 270883.4262 119263.5666 357441.953 328981.4939 113037.4025 491211.4191 517889.3074 874618.3331 450009.5464 97504.44869 1511770.964 341625.7069 366266.5109 173887.0586 324295.1096 97819.66055 533986.5957 502920.2231 543105.4657 183271.1387 458645.195 148456.2391 402897.4202 406826.3192 225844.0529 1696170.133 403131.1483 468647.8116 110006.2641 113265.1734 164386.4163 349524.7263 357653.142 479909.8941 280093.4733 301454.0885 301383.9346 166874.3253 2190502.647 572677.7793 196791.9964 404543.0523 431163.3376 166319.751 325165.4733 360881.591 571388.2049 572979.4429 282179.3774 380327.694 96819.53207 264976.9657 550361.8355 552347.1031 495043.2064 505418.5184 436328.4632 377486.0811 306578.7454 312153.5607 9,10,12,13-tetrachloro-octadecanoic acid 63109.15299 47630.00041 55168.14358 51435.30081 523960.8174 100391.6258 300620.8599 484295.3753 121056.0427 532443.1406 454151.5421 314305.6738 245246.1167 872938.7038 477195.5979 575877.5178 894367.6034 418594.1128 49188.89493 546030.5739 382389.4254 228473.597 364216.171 2006852.285 890874.8891 47629.45573 45216.85468 172809.5575 145188.5561 158872.6826 1416123.841 483013.7262 787145.9967 380629.9407 428534.2527 952786.761 197346.4753 1362112.827 448798.0333 1558505.512 583621.078 716666.2561 278271.4057 527881.3366 624044.7772 1150570.938 1004975.094 417848.6239 37978.20639 47190.95875 1534541.519 564698.0279 642327.9404 1804152.883 470558.7275 3344475.649 1592919.6 616851.4656 398957.6862 2044440.137 937658.9765 141215.1264 149364.2984 2849811.486 240709.6148 480520.8656 184300.4295 778276.061 384751.4624 390716.7837 179883.5993 40931.42908 64687.90446 1332714.209 301330.7871 465317.8228 521501.2721 1699670.444 2275930.674 1111160.479 1681436.243 106581.5568 1045179.294 596303.9699 349407.555 282446.2501 881141.3697 1116433.782 407231.2372 389572.3096 3316593.613 509805.7947 190022.3085 49941.03812 40618.81168 56984.79502 58446.32398 39655.50774 40152.40098 775841.9395 429461.5397 771306.0254 858884.6773 211863.9766 327687.4664 790843.7854 260642.8703 663841.9032 493310.4796 1440253.479 760422.2674 185428.5126 1325319.994 229050.2229 105916.0198 45337.15916 45049.85326 3825188.701 164448.1789 822530.9538 121593.2862 1544046.013 588588.515 148540.0038 760383.2552 283067.4235 261318.896 2898743.897 940131.2125 239801.8087 392861.1286 1174777.862 46722.75646 37850.676 189763.3845 114611.7185 159964.8447 1792583.824 513686.9097 148691.8698 343830.255 160707.4409 236660.0727 347698.3251 523509.0354 251671.5599 619051.2168 439436.5068 4674130.413 47235.45395 51842.68663 548262.4087 161458.757 382532.3457 265623.7171 98856.57853 244209.0956 436412.7065 109260.3191 1885958.351 134353.4052 191441.4035 554406.2882 376421.6946 950859.5152 256273.336 237455.5771 248611.9008 50252.16772 44848.96477 50950.39602 39493.75568 47067.94163 42232.49823 55686.75452 43926.27763 Acetyl-L-carnitine 166108.7965 1879985184 1369475904 1564941166 2733561904 2044344844 2413163579 2822065407 2118675538 1994906806 1855370009 2585958372 2203542459 2167095317 3062296242 1768299791 2195159323 2219694229 3198926507 2225182092 2004323102 2162579313 2851996353 2667116033 2435930224 1468225553 1602731490 2556707409 2818635158 3154747041 1604212083 2664441057 2084832687 2139666306 2015450424 1387706813 1972779560 2903070994 3155573005 2300272721 2903572799 2106682551 2578126095 2497194297 2060758516 2208956336 2034983895 1624852898 1474209111 1636621217 1910585770 3012570695 2605025975 3128257652 2567104820 3025885637 3206751154 3564219732 1977984939 1726175902 2712189455 2411768753 2727808765 2100968836 1714947162 3304067087 2336980582 2219787270 2156377358 2750978655 2990386221 1473731629 1688960948 1721053210 2749307639 2116189454 2395670795 1930025282 2257925085 2392189463 2250994920 1759256944 1467152031 1885393439 1409532579 2530082918 2700189099 2228038219 1963045137 1553236133 2905012589 1829136620 2022651603 1455471147 1582675866 167910.8287 155218.9248 1331357762 1509765269 1900572079 2289124710 3180110478 2022318910 1826419556 1794564900 2070085874 2046631381 1814857239 2382038987 2377504741 2413119092 1817886644 1766765795 3079613648 1925060344 1572028075 1618078875 2897133805 2471858955 2345287536 2481975783 2066173245 2262756473 1950082308 1885873144 3159724631 1854840699 2356024413 2246180103 2074513768 1869572817 2421810877 1555863990 1642352401 2101497849 2407688681 1846329354 2562784649 2495360573 1964450148 2569774452 2189235657 2870585205 2583832209 2009908142 2213144375 3327988877 2965417802 3258099629 1485779876 1700291838 2485801583 1690520906 2413911285 2559886093 1807348930 1829258313 2412958558 2064328355 2594780297 2676838031 2548630294 2415189321 2083851778 1929301511 2602834738 2428246132 1848393688 1606560895 1748506079 2300581269 150341.9166 133997.6819 135759.5908 157603.9912 158459.4853 Actinozine A 153656.9834 3100590.717 5763381.773 5724671.697 2755916.416 9757297.637 11185469.21 6119913.738 8404013.1 11500608.17 1124768.686 2268425.351 3281732.079 1505746.701 17403776.04 3692712.572 9390550.434 6393314.549 8454551.401 29965584.68 1902070.097 1324614.868 2818054.971 8525789.361 4791462.905 6098804.242 5884225.392 6898381.327 18005373.15 11528823.58 1908479.299 5260588.523 2700712.425 3956755.684 5441291.212 704361.2748 3296793.285 18608788.81 55150449.94 2673207.75 4515969.131 14774469.26 7485579.079 4282448.623 1276880.287 2309039.316 8310232.754 2562244.566 5873304.336 5739814.193 2930745.15 25832887.52 5894654.051 3792969.369 21416522.74 3272284.332 4836818.476 24230809.42 775804.9974 595732.2263 4740564.001 9970916.342 11592977.58 14951046.13 2244793.767 5373873.878 2168641.605 16875843.08 1136992.301 5574808.07 18565309.55 5870572.043 6770139.812 722423.8951 52567552.55 1887779.197 3269591.319 4350622.033 2295047.272 5353120.319 2954352.996 4154360.55 1267578.538 2563788.469 1972890.311 7941358.853 17387304.28 1794068.037 10143716.36 2482311.01 60809928.21 905724.4268 3473518.165 6498246.567 6276673.469 163981.9662 214470.7545 6369858.093 5565841.712 1761140.752 1166380.399 1847230.166 3155874.758 1997732.404 1265088.854 5965209.772 4077105.268 426889.394 4939103.721 3058417.885 1453064.688 1555768.886 2005050.214 18174985.96 1698632.026 8022362.067 6697916.147 3968242.601 13603583.97 3586765.484 3025613.166 2231234.017 5209109.587 2275733.208 4702638.895 4393413.114 2214832.477 2424158.795 1915244.619 9005228.775 887822.9997 2932727.271 7306002.447 6696163.068 692966.3704 8774891.233 400503.4615 23103014.82 2776818.213 3790431.743 1513431.948 704201.3545 13294376.63 10077962.13 276634.997 1542692.461 7838619.171 7502544.9 26332873.69 7216418.012 7634783.588 1253240.016 9215463.277 8698104.726 2211897.228 523499.4207 1130688.988 1959293.38 782675.9113 2333057.758 3374239.638 9622345.238 1418655.69 1273253.905 2153880.308 8831855.353 3942342.947 2006652.22 8416990.141 9089955.835 3416718.932 217510.6746 210316.868 193803.5118 170507.8275 155148.7089 Akodionine 336370.0401 4181736.294 4775775.782 5323057.127 6832437.303 3887793.562 1138912.459 6782881.942 1350382.929 3755168.606 2497337.319 3189426.846 4929391.2 1419483.237 3733224.348 4537384.443 5334126.853 7192027.486 2655450.896 6393199.511 1928197.585 8409807.615 4118590.021 4071916.922 3993749.226 4764320.296 5790697.884 1205543.229 2110455.908 1409750.158 2907549.038 3276644.368 7557638.61 1016976.765 3399142.255 3110063.281 2809617.45 9045080.984 4109968.495 4635319.866 2269181.67 1631204.67 5860406.983 2522843.849 4028936.822 2253287.121 1666211.555 5330775.91 4045273.073 6078783.33 2671928.364 3658975.344 1082087.732 13594923.51 2312103.789 5555405.082 2867249.286 2794421.269 6105095.833 1452362.29 1961716.93 5027958.661 10291694.84 1320339.849 3506466.462 2442278.638 2360967.489 11036314.45 2702294.072 5719222.765 5419581.328 5062898.858 6667889.473 3406160.12 3118995.526 9758013.059 2189186.853 12575578 2357755.661 9958970.607 3846214.777 1642374.153 4206078.715 5220401.438 4965327.209 3906579.564 3768663.623 11594086.18 8240071.921 8248332.273 5174390.144 10847741.72 1454539.574 5887548.684 6610938.432 132865.4559 405667.9324 5226608.239 5382491.846 4776001.508 1539878.161 2275614.522 5401929.894 2590007.563 3384804.287 2376555.139 8230960.828 7284908.008 4212579.35 6453370.009 2710522.176 5902006.357 3624573.849 1700997.728 6648973.849 6887105.101 7556900.977 7847793.169 6852251.438 10658089.46 4859852.552 4466493.071 6400663.715 3612945.06 5038778.081 1988966.703 7458368.093 3106543.392 3363978.036 1891079.588 13611541.18 3660076.329 5829169.743 7441004.271 5944783.461 5509574.391 2244926.651 6527254.247 8485178 4295959.982 2892520.943 2244860.535 7110961.175 4196702.46 2176320.178 2797240.957 8749320.682 3827445.56 4213802.74 6224340.371 7911386.728 2981099.166 5725820.669 3346515.996 10267367.88 5786279.592 3929612.439 6657918.524 3710289.913 2655752.383 7028162.81 4751200.546 2947509.611 5587181.029 4991982.582 3790388.854 3938420.617 932406.1144 7127377.946 8152314.607 6864321.84 414508.1995 394601.2458 344254.4754 316966.0395 253636.7041 Allopurinol 210807.0971 145692025.7 122117115 181689074.9 1587752704 486430013.3 578492523 472658424.4 907518342 817142545.1 820351153.1 572148404.8 518277526.5 1270288994 1052353056 685805580.9 1293933932 336245342.4 400622108.3 1101679210 549317596.6 290977426.9 1200387435 135197580.1 925011939.2 128791712.1 195437704.5 1352615536 819582551 205380357.7 462565826.9 1203155407 1157021137 533701163.7 1639642262 1601788842 1149831446 658670965.1 443757060.8 823872393.7 296558358.5 389750595.2 1921044739 862827842.4 239852009.2 332172336.9 933503118.3 485745912.8 136675852.2 197435224.4 577255184.9 2230162482 157402509.6 407229752.1 223729661.8 1980323719 1542790317 629373231.7 391269822.9 653436064.9 410993262.9 510059567.3 1230678581 228804359.2 850494822.8 1333947088 621038161 320138425.2 712338175.4 1442119757 1018125909 137766130.9 235345943.4 689738560 954543782.8 570568782 1283207347 350935035.6 343609196.9 1712408753 901657886.3 732360556.2 291018516 1944812165 599153213.9 230628990.3 863297436.8 583787133.6 1000221054 525294883.8 2460652240 1192964527 657155209.8 165663476.6 250989632.5 972319.4151 223091.4984 146271694.3 208306018.1 1753226900 1284552337 731327318.1 391209002.4 410844766.8 786997784.5 2230204601 1078329960 1697100696 309464408.2 831173534.5 1559950231 552608646.1 815058438.2 1061205567 2754004867 185288274.8 252222356.5 1527218520 243927968.3 2073138378 194443893.7 1222759147 579921382.9 1799394501 676345018.6 380431244.5 362051209.1 1247009366 1390883372 1392431565 463217562.3 373432941.9 206258727.2 294643028.5 617758920 3366556972 272685950.9 3355230185 1788709236 457956836.9 459989767.5 970443007.7 645453518.1 237954354.4 1101352472 983615856.5 661139778.9 1795134730 1027914024 213242882.5 322457541 1416909349 499600583.2 665380540.7 1239617735 648514595.6 707871615.2 1232243402 1554097811 484371032.9 2838198077 1022735401 362405407.2 1403483591 1635721778 1336702201 377115916.3 1341991897 165740168.6 256265866.3 272903736.9 207000.4554 201065.7293 196032.5349 193581.4372 210412.1102 allylcysteine 83179.64416 1856177.805 1097941.266 1223477.273 2436027.081 303740.1449 557594.9876 330936.3406 5051894.571 683507.4479 3791866.64 1658434.291 5288437.716 86127.14221 192108.4496 1996796.272 224464.9443 957707.4278 2243314.122 583920.6825 478116.0859 850829.7018 580312.3429 495887.8092 798372.5401 1390038.976 1322023.139 4066196.607 779878.6587 4571052.828 898746.9482 666671.929 44298.78664 70899.23601 212989.9813 2016636.259 2881979.779 102313.8375 73072.24949 2462163.226 908359.6725 251114.7891 562024.0944 196791.7402 109409.8853 1981569.509 1676954.276 882883.292 1470367.099 1280786.267 3228745.01 1152979.299 300051.4237 1537513.314 566886.5968 2975348.565 1814245.781 153654.5473 368699.1333 1736976.712 994075.4263 49730.73057 1933285.49 116923.1408 856933.9863 12490604.63 6133242.128 8844115.209 1027182.45 104564.7884 325079.4849 1589647.457 1556072.063 2924233.389 306018.1509 533447.5668 45494.10159 1151476.103 915980.2804 345083.6998 167787.5961 330877.4769 414709.6924 51259.71447 2757298.488 2182529.366 203726.1113 243537.627 3871859.885 213210.7697 1539162.548 714690.0682 3544539.192 371696.9975 1516278.289 62838.28129 61363.82716 1482968.22 1428223.058 1583124.586 2963474.682 2177356.24 3291842.758 51319.4407 1161302.959 921471.0446 1514913.248 480217.3341 690309.0242 416596.937 2456627.909 3268407.552 150746.5418 52548.00342 206177.2204 2283645.527 1746931.987 3112530.771 944910.4651 443210.5091 284477.7864 284347.6583 6204462.276 234916.3759 1266703.451 555421.4393 4321899.377 188351.758 433696.4834 1548000.281 100615.2796 844855.4021 2055091.672 2065034.538 6082181.523 997986.7056 11953483.65 1447140.025 5103912.928 4905881.487 332116.5483 9942723.849 6691429.006 1048259.434 1376376.687 8584096.753 691339.5788 1352258.562 3743834.831 2963115.3 2339806.951 4896703.343 23970832.74 578778.3806 1401129.566 280169.5192 249279.9722 9195324.597 3467030.489 2225294.965 722840.6753 18553000.25 1674351.031 14064958.44 5031453.762 1660926.678 1178484.718 2538258.64 2653167.501 2897964.862 4969609.014 71931.53693 72604.75663 67448.78092 66436.39189 78663.60155 Asperophiobolin A 147812.6817 4221955.39 7504579.469 9151155.928 1698000.781 2387909.185 2824499.462 32006170.07 1139401.417 2058170.406 2898183.037 2787197.401 2152959.873 3684239.412 1299749.667 1762218.299 8216639.22 9028766.56 1623606.667 3225693.125 3383731.459 13272817.81 5153705.651 2572622.91 944024.2314 7513093.511 9453922.496 2912416.754 3959616.205 297055.315 3317022.383 642325.261 4522879.981 63586868.37 2387737.432 2876180.492 2728838.946 2126645.513 397910.6913 940175.7337 2867775.357 18727851.4 4044848.057 4684167.999 3660897.41 5200018.225 4515599.197 1386748.163 7364381.981 9592471.515 4626292.412 13745994.19 1817510.093 4986927.01 4056881.252 4424538.904 3443529.564 735677.9215 6993716.703 2848759.492 770972.7773 1852930.037 3421525.225 1952726.767 18070681.02 1920637.692 895202.5629 6012849.485 243909.6537 2686236.108 2530314.299 7728581.696 11163625.18 1555326.921 3471378.448 40410549.55 3668856.574 4046392.671 8473233.158 43279953.74 11150286.12 3656985.944 808897.9925 4047273.18 9935091.217 2279132.49 4794106.701 5862343.038 4120602.717 5649381.026 7364774.636 11788721.65 1593235.274 8345621.743 9728500.521 110035.4883 205042.5969 7581784.722 8794337.144 1434131.142 706392.4606 474828.9449 1525326.992 5913392.119 1341306.263 12381877.15 387492.3573 1045081.079 1685590.452 1548034.623 2456125.134 5368356.376 15212158.79 7733188.118 419231.4243 11089127.59 10850273.45 10535826.53 1434188.923 1173004.998 1071998.156 1796833.32 2416197.627 18435232.77 795015.4157 330971.3425 4614111.789 5031860.438 1710592.871 2399700.938 1429783.409 339715.2511 9254984.689 11324763.95 1148759.71 11730973.27 2542681.69 3166500.365 7674553.344 10105120.82 3510789.758 4195556.428 1357889.332 10683306.08 3556250.27 1961651.768 4454883.274 6670176.101 235860.6033 9374149.421 11831070.91 5871268.599 1400056.137 186602.8744 7732441.217 25120849.97 10787141.47 1287725.959 10453337.76 3618480.424 551146.9711 3843368.395 371854.979 5321721.714 4907332.836 1585864.63 1077940.762 4755401.255 9658857.96 12690689.81 5517690.682 226024.3366 214367.083 195957.7408 172710.3764 151985.2941 Asperophiobolin D 185446.3393 50664603.43 82731110.6 99044227.75 13048815.43 15066533.34 30444980.71 145953999.9 7129919.553 21358979.3 29361756.25 13336413.19 6390419.171 32219115.11 12536313.96 26029631.81 74592770.09 31780983.35 31382005.6 19967246.02 29308324.6 112959999.3 58593192.44 34970588.04 24104991.76 83913407.52 106827391.8 38772903.14 20391263.46 17279822.28 23084162.49 461365.3856 37009468.87 247426955.9 16552162.58 16971689.85 29968392.13 17457584.45 4513811.947 20749316.14 14879870.39 107955194.2 11338130.12 99222909.41 28112916.08 26328074.58 23998284.05 21723002.68 84816143.44 108528881.5 54424689.02 80085838.64 19132199.9 62533439.18 35471325.18 31765707.3 29620010.71 15698533.61 93524486.57 17657997.33 5651648.994 15840530.07 61106162.14 12825994.3 156371064.2 27678599.24 10627485.67 53677786.57 12220808.73 26489410.41 34807303.85 89802592.17 111601211.3 31036723.53 67214043 211836243.5 41188553.43 56000009.55 34047825.99 300295946.2 99076226.1 23395994.49 5667879.732 29357706.81 47390100.87 35758949.08 65751246.13 47928918.9 45074494.32 45346019.63 101963978.4 90607212.09 8968798.851 101167060.1 115040368.5 132353.2535 231483.7494 85030950.71 101415302.5 14774783.31 7024799.263 6507144.977 18748309.53 115652565.8 8437650.742 104287656.8 3928726.738 8282744.859 11089630.87 29261798.44 40408079.49 26956250.52 213743733.2 64063076.31 6135269.457 123705870.5 130102592 72683666.29 14151553.05 4131497.005 13425076.08 22423563.49 29378130.54 292615599.3 9754647.078 5874847.601 34050849.68 52688273.8 9251508.671 8993674.05 1036574.714 2301280.343 103199217.8 122290530.5 7089316.167 83825891.81 8614959.631 18413752.07 34919900.88 52342947.02 55140688.34 24747901.34 17566819.76 120926816.3 53515223.14 17745397.96 32568103.88 22450552.21 1390868.316 104527752.3 133440195.7 77053473.76 7809257.101 10653502.11 79304987.63 74880243.02 82852894.81 13071189.71 83352789.58 168094872.2 7384804.128 45365747.14 6907375.364 19367570.57 38638672.16 40672835.78 31015839.18 32185221.32 104182626.2 133628305 70928527.26 322924.1788 235688.129 177721.5888 140001.7266 147769.0994 Aspewentin A 53730.11041 723800.138 1085443.571 382261.0739 386368.6142 262246.6333 192056.0044 60405.89221 279679.1121 118497.0093 140954.2783 537398.6157 1072606.376 207749.1292 1178300.212 1284266.016 94748.43859 61590.4694 183364.983 433573.8745 461559.2558 246799.8095 339993.9464 1124307.343 414398.5856 1224763.018 426251.3964 606296.5888 441900.1788 344349.7503 321564.1222 243972.4907 152079.2734 179833.432 616209.086 1305293.785 270828.2024 1315895.916 583542.0458 336957.4518 183029.8036 459562.5925 1949715.677 898381.1012 1305847.687 994880.3713 889427.2864 1090285.111 1153263.952 451391.1889 1343604.063 1250659.306 3436232.981 103557.8059 298467.8308 879011.4198 1184808.336 102884.1691 595987.5681 131366.4071 1869100.714 1448265.637 228579.3475 493602.3434 212619.7263 285219.3446 480185.5599 508105.4613 330407.4831 255965.373 121791.7939 1224672.551 393553.8739 1189227.071 773820.893 208422.4649 456302.2726 825457.8375 2670058.247 374332.4524 202625.4056 564626.2335 598730.5442 188584.2313 537518.8243 498151.4358 623300.0323 191351.9381 1438847.507 415577.8901 1536668.963 248276.0105 245270.5602 1317939.265 421896.9804 64839.96138 65269.59867 1331117.149 464650.4979 229579.0474 1192015.995 3163966.391 745885.1533 956420.5139 547116.0688 1228452.93 366861.3869 165187.2627 1554727.627 348242.9722 1723586.893 1592289.969 307872.564 925880.739 353703.7853 1660543.974 516266.6487 599884.7354 942215.3348 964847.6938 1134265.866 860216.4736 63623.34365 930005.6865 551042.1431 514185.7546 512289.5138 1055895.849 1147801.879 776819.4576 506946.1136 1494984.726 1587272.215 505422.1107 2349430.651 2507748.458 2379395.916 122873.7252 1933405.402 1298476.373 1200734.609 738259.597 614580.8411 529700.1414 501372.9762 1563556.409 1254674.841 1394188.886 1529901.062 1631769.107 575032.0677 1679336.148 828396.0459 341419.9 349485.5879 643733.8866 610518.4425 1667397.24 2201297.606 415506.948 382907.7284 1898876.298 1228470.03 1933639.169 237779.0814 1115830.503 1566758.577 809038.2148 1582212.743 476585.2019 906599.8094 67428.94509 68530.11538 68550.56893 67125.2433 75348.03297 Atenolol 94402.90365 2842275.182 156571.5498 158862.8898 191677.2147 14433312.27 168024.583 190680.1791 163134.7155 160853.1059 159333.079 178381.4133 11951131.93 176258.098 195577.6057 158924.3435 182899.4546 172590.443 206543.921 181180.5897 189318.3144 165049.034 202706.092 195756.7645 193583.3243 141959.324 169012.4865 178021.7069 200314.2309 214268.745 168186.5895 181652.8445 156781.8695 171440.3482 170292.8647 151015.9851 162746.7277 206488.6119 210968.2818 191525.3385 209769.6848 154054.6846 186240.1282 186289.683 163806.8481 190208.6578 161469.7561 147252.1284 161495.0401 153188.1937 166138.1072 201540.3661 193155.2542 183723.584 176001.767 209092.8813 224851.7126 63625900.51 166029.7412 192384.3432 190664.0154 183894.0842 163627.9403 179156.0495 164742.6952 195295.0284 169857.6454 175226.4253 164733.6109 193148.5543 172698.4639 153375.4132 143188.6957 175822.4906 155809.5067 147399.8495 177383.3293 164135.0181 188467.8268 165389.7392 155305.3988 149635.5569 176517.4055 160028.4799 155493.9217 155228.3763 172589.8058 158335.7999 138880.213 236485.5429 204559.4731 152481.4453 158753.3358 132225.4203 139829.8187 86577.85469 83445.6776 146866.195 181395.6314 151495.2034 151448.1222 181200.7762 163237.3869 149485.3368 165986.1275 158615.6401 153487.1962 150677.18 151744.3594 31839750.12 208028.3985 153264.2069 159488.9384 175721.1038 3706009.215 158022.222 144768.2445 215819.8376 156534.5767 171475.0104 167692.3904 183336.3739 154752.8975 141406.631 168783.8879 181595.2627 136232.6095 160372.8554 164726.1555 172327.7047 176062.6531 164026.7892 149833.5168 150853.2848 180506.6543 181555.9097 165696.2928 195962.355 156284.2866 151337.6731 161506.2872 156046.3074 222069.3165 174385.6298 191190.5904 153727.755 204994.6716 195602.0061 177608.8383 165787.6353 164308.1404 199747.3524 177092.0676 164729.4201 178152.243 156216.357 146453.0637 178066.1056 165269.7711 175872.4607 199783.9846 175774.2081 158864.4699 178285.7052 158798.0027 163951.3669 172261.1142 175270.9248 138668.487 148181.0303 4178527.334 77100.29398 76153.52421 85844.7508 89430.20518 90055.64926 Bendiocarb 71989.72368 93082771.72 51446423.57 82412433.97 49552431.17 98495745.75 143851637.8 455601505 142542094.6 63416218.92 106292071.2 31598017.19 46224915.69 102649503.5 103415681.4 147776307.6 292178154.3 373542181.3 141308714.3 154208991.5 58014562.23 107639221.1 107147885.6 44909010.48 203269949.7 52968664.78 78950364.41 23657787.78 348289775.8 79561439.53 72704092.76 97001632.03 130652350.6 64809743.03 178107090.7 6414677.12 92201746.72 129342984.9 51198538.33 64207451.49 87154572.02 152500562.9 122166467.9 107193340.6 122463424.6 67430684.85 7199660.723 103863380.8 54005718.14 84950560.09 54202693.61 102754620.4 69348966.31 315877487.4 98292925.57 411216510.7 229585893.3 164732159.7 241752113.8 16527115.9 137340014.2 34408354.46 97699275.56 44196504.58 31798792.75 82768363.02 23128034.02 90353663.48 70939148.43 109967804.7 253996320.8 44506757.36 100325666 169508459.1 108609824.9 98305057.55 30415999.74 40195183.08 54564861.46 45446777.3 124980424.4 76722452.32 37453426.96 32579305.6 50228625.07 118109004.5 57390792 87212328.46 96421920.84 42553818.33 73561823.09 140618432.4 27702494.35 48894566.63 80461022.78 104894.7022 80740.20158 56959514.61 75410737.28 213959341.4 6376251.635 7557307.29 156714598.4 259742235.3 110762385.5 132680217.3 141477431.9 213729210 23370926.69 181459020.2 63073298.44 92165087.31 136700702.5 265100295.7 110591073.5 61379202.72 87059045.62 161764342.6 200000526.4 152177765.6 83524648.62 35093114.99 139306163 137969320 101619816.1 44271177.44 53616517.43 38727728.23 103256271.7 95844497.85 72496465.17 46248597.38 54253212.81 89630436.28 11697584.33 40209427.1 75202649.82 94373657.14 120328634 90173556.48 58675437.93 56614218.93 177549146.5 206059921.2 77038488.59 131480122.2 196897912.2 46702683.1 58536575.05 53538166.46 99463212.87 16698599.56 32693425.23 157659979.8 232049479 92501508.91 109530860 76683401.9 32897095.52 64723109.64 135796655.4 67253285.68 48015074.27 47007562.65 24710405.33 76131100.69 57115315.39 165491333.7 73456225.81 125579628.2 99953283.58 96977.2587 102007.3527 94631.44588 85669.40037 92899.40654 Benzaldehyde 100883.7591 5962525.124 6330229.158 6492517.781 7143126.935 7021092.246 4610068.813 7774580.511 5222123.751 5095249.685 7740862.414 6389781.394 6617606.517 9054447.896 5520097.165 8689179.609 5540450.087 9450487.449 3922013.114 6781060.624 7254786.391 7495317.763 7405897.845 9311596.315 6852823.873 7067309.466 7406346.263 5803048.469 6087297.69 7528788.061 11539864.94 6012611.811 7762804.057 7391527.859 8798092.213 7643806.818 6575747.364 7872094.187 7456485.648 7808845.226 6701932.024 5554486.136 5898935.942 9199302.159 6800712.524 9027272.18 7346911.729 8490336.925 8203888.248 7030060.676 8784995.453 5665667.371 6516175.595 7136589.48 5949849.775 9769161.107 10264091.88 7813250.215 7609562.399 8901550.476 8473340.574 7013495.115 11008036.76 6794470.048 8797559.259 5155297.454 8251938.269 8366886.302 8560193.033 7728368.89 6577742.326 7757428.788 8111750.373 9246652.292 6759756.975 6301342.746 11305009.73 9758865.961 8682061.04 7046616.402 4614996.609 8117215.12 8445138.434 11612252.93 9440463.267 4603527.078 6312715.588 7436815.628 8411881.202 8034428.935 5465629.533 8379917.314 6169259.679 8118333.287 7851949.11 113788.9341 98985.5793 7092971.309 6878610.369 9121108.778 7645139.44 7507191.034 8616383.233 8183728.175 9151636.427 7514151.066 7413840.702 6775261.946 7249618.65 9531683.811 11855577.22 9944105.482 6940466.507 5430439.937 5396192.949 10283385.71 8306134.057 7966053.556 8763175.675 7482414.709 8080055.998 9417906.866 10744969.85 6848707.551 10100204.6 7834223.747 7405990.163 8120245.11 8465960.195 9517304.665 8312391.297 10632153.38 9252331.427 9138518.482 9061095.054 11364029.16 10864604.74 8027240.922 8834691.417 10570878.6 8031680.798 9647663.862 9941586.784 7072642.725 13290365.2 7852133.32 7430020.866 9281600.274 8071715.365 9445112.674 9105284.578 11065201.26 9932902.392 9427841.713 10321441.43 8334125.006 9152634.383 11490493.74 10493039.57 7830786.421 8304653.228 10214463.48 9129004.134 9878494.532 8534557.36 8356328.435 8529439.848 7981630.536 10298015.38 9743223.474 10258855.89 94930.00755 105457.5346 100291.0878 104855.4211 104093.8318 Benzocaine 232790.8576 28515990.42 16429944.95 23131828.54 18980734.05 11726042.65 6399975.859 15512989.77 20339804.12 17446554.43 22970166.58 17921507.97 13194341.17 9828575.017 9977212.226 17048788.94 17816266.28 17892431.86 7900909.52 14579568.68 26530185.15 17021010.35 16831201.42 21136025.84 15465513.83 8765509.757 27389538.22 13339437.29 6936657.005 21427877.52 47866362.54 16998358.08 26210214.26 12995318.65 14872452.57 20783211.12 11161366.87 18936461.87 8868085.242 11321714.82 21591402.31 15087195.03 8456315.922 23058354.5 8853923.165 17986902.01 9820703.605 25039336.2 23663515.71 25800075.97 30891874.81 14818946.45 16200658.94 15118292.8 16774984.04 18728891.39 18094909.54 13503252.02 22184764.97 13482744.49 12243645.08 21834388.41 21308960.82 12934571.12 13076870.21 7211735.486 22204007.7 17317268.47 24668202.14 9902087.665 11841019.73 22057979.45 14467911.36 30475122.42 10750646.56 11807502.01 29317749.36 13912365.9 29261875 14949240.17 6340669.705 23129658.23 29255754.74 20405169.39 25382806.66 8833542.418 8419202.59 13126278.6 21664372.44 22304997.3 13618578.66 18907612.79 18692473.48 20031613.55 12825064.83 492509.3087 185768.911 26009889.35 12209455.38 21163718.04 18064378.86 20888107.07 24838380.39 13547126.46 25805107.75 8499288.797 9945590.432 16522185.82 7714571.769 14854141.11 13017155.64 13153655.76 7879833.793 11859772.18 16724665.09 30523989.35 22272739.62 25151215.17 13373877.49 13232959.56 12995638.71 12353803.59 13703395.35 10900625.28 19583034.71 10182467.9 13184774.09 13807590.8 28541475.62 18967024.83 10634620.11 25027653.32 9981864.258 13407354.42 19391037.93 11026330.75 21730137.76 13891485.34 13412994.64 16201139.79 13045540.43 19557214.79 24217447.12 17976977.16 31808375.75 11808919.97 18427672.38 14637985.45 12100048.98 25168337.45 26894801.82 27924698.37 22709344.28 20672258.51 30907443.59 9741595.608 20054470.2 25323395.89 12961054.27 18964368.74 11138939.16 8726108.314 17569233.24 21179120.35 11761598.38 11766812.11 11905268.44 19592742.08 23821294.4 15179174.16 16823651.65 164222.6874 170229.8878 189174.1843 190485.2481 191817.4364 Betaine1 975241034.1 3975783115 3180022288 3008798477 3638061939 3332915970 3039384206 2057497720 3980969988 2811770799 2659947455 3049121065 3345280649 3771973032 3923975404 4951432766 2507845127 2990175162 3014542738 4357904137 4073587307 4287512171 4335318415 4626514226 4739257668 3349989489 3317711553 2944891673 3058714989 3873554728 4962397990 4190729844 5159222942 3594802016 4919686616 3838547215 3858791540 3630123479 5101855456 4829367595 3655306998 4472601723 4005906877 4267443487 3821326044 4160623786 4691886400 4184708175 3652160743 3465719238 4389222904 3822336117 3633250558 2680786446 4471965488 4375217787 4437057921 4609541516 4587686913 4324766950 3944638224 3799561324 2892761157 3388672372 4032217244 2662145204 3914292256 2924392256 4354600940 3673725172 3175615229 3724692884 3683967668 4464609387 3120755048 2852560977 4665683760 3745361371 2287191397 3525589445 3727840796 4499642070 3296625121 3335974741 3719020402 3843092476 3183176409 2885722779 4169579383 4440008837 3956244654 4260973634 3068531569 3344743823 3569853305 946445006.9 841628353.8 3604184006 3622541510 7795649438 4093362434 4299000541 6447594704 3850658496 1968789964 4235075686 7273900157 3169452586 3923880794 4741514429 3161801923 6848650079 2993235340 3691431525 6331400997 3461136443 3630820006 2841423135 7416255564 5970376714 3624755934 3651562579 4683596371 3268690383 5291538987 3845861452 5238426653 6305367270 5761307675 6924195740 3133800499 4956842033 3808115322 3332940022 8226954374 4473390583 7665601518 6478538748 6187497064 6986378151 7040947211 8407247688 6533718903 7000522640 5355138939 4537353432 6744440678 6645466420 6535400861 4493738660 4545052877 9100224282 2748690267 7606680067 5511204261 5924932257 6063865406 6407826119 7577079461 7109655941 5264622184 9195002774 2842284397 6465892260 4768493921 5966357064 8977662559 3287520581 6935166052 5727346148 3170932259 739759817.4 726941738.8 718702257.2 709857542.5 713864266 Betaine2 382156984.9 1726973978 3254125107 2988291375 2190682904 3669457931 1510688894 1414005852 1372714542 1839980918 1795122687 2561654307 1827376069 1824089109 1739516683 2207052521 2140350874 1526318239 1911613560 1489937180 1677321319 1171577715 1653230483 2009837451 1624282132 1851108643 1948317335 1526484393 1188185950 2394286893 2383920186 1518025076 1509655685 2132417074 2132406105 1935739996 2038255634 2096036845 1719320262 2119437437 2151790604 1004950450 1539233216 2073917794 1548758915 2422160473 1953828874 1972483728 1601361793 1390583851 1584789075 1578842674 2538245406 1656335739 1174275507 1985322988 2558200853 1952825285 1997550869 1957200972 1954659610 2320649699 1775635642 1543696822 1630808057 1650527601 2222571355 1930870772 2138076848 2566434405 1391871747 1596643280 1492868464 2236541775 1398081848 1939475082 1834915869 1780068303 1990979224 1572464687 1420717724 1621580942 1899637241 1855053178 1729159232 1564286205 1981609817 1854419570 1327727047 1406776147 1820013456 1559505476 1632787099 1544697759 1431846305 429177046.6 530402109.5 1403868161 1456859031 1664549492 1708572927 2075972913 2011225002 2100309047 1907387061 1494494570 1500711799 1486896695 1886416331 1422807615 2560464091 1628441032 1760853109 1603456565 2379628299 1629921182 1493352505 3420043548 1528788464 1906207159 1520915482 2023756226 1351938536 1449554908 2979838682 1409653494 1568227967 1809906712 1614471331 1689084698 1613893282 1476446550 1587331585 1488475223 1907824561 1623645774 1916698578 2207405423 1746257617 1460428123 2247272948 1555610105 1803445001 1792343794 3142492691 1355995375 1764233464 2648567565 2367644255 1428032069 1562651518 2292632474 2626733509 1485179925 2568052943 1757065833 1975658439 3147083235 2212842643 1889024876 1379866997 1636134154 1667796479 2288332847 2037915802 1349507091 1267616551 1978679317 1568203371 1735995310 1682426118 485385290.5 390257638.7 477056731.6 383202746.5 470888388.4 Betanechol 90468.97845 23751406.25 17887386.22 19087433.75 77831034.97 50817510.94 19837970.34 26140961.59 17028423 5254403.036 19368041.81 20394677.18 5452256.745 6445610.789 10725234.99 88833707.75 20299601.79 18367012.7 18251729.06 22917467.85 11803548.49 30268496.27 122233931.1 72205585.26 114623115.7 17159675.01 20076877.94 8601921.653 12355580.03 20327340.79 16941698.98 15836600.02 13667007.56 12568033.36 18552977.65 10573669.14 19266813.62 59863312.6 12923048.57 17335795.87 9951372.387 109470482.5 8222804.523 124652249.5 8806553.393 5746922.163 66619662.47 30107359.49 16801111.38 20245337.61 19895493.36 141832680.8 18153644.41 19659624.66 27419065.12 29924788.09 35628433.06 9237144.616 94316552.57 34389527.55 11670185.28 15262869.78 25862706.44 9875950.42 26204988.42 29321968.92 31173752.09 18904641.96 19795091.42 88170564.46 19439922.67 20169630.94 25631950.99 74181417.84 49483359.32 8007692.011 18441312.35 58406092.98 10385298.95 76198203.87 11954856.01 8123887.934 26772815.94 10664191.19 24885584.7 22465673.08 43947692.78 8994510.534 22060221.36 12891414.56 23679486.26 7231738.482 24615238.12 21838591.61 22770264.82 96483.26076 90027.62276 18684006.41 20696112.61 83513629.3 21538272.78 17384441.52 22992810.76 4595376.13 89119061.42 27445737.35 14962111.4 43203644.31 15329527.34 7848061.285 22576843.12 111465434.5 9760553.251 26340422.28 105185921.1 21587523.88 21172082.27 45389333.77 79883856.45 142034536.5 13232533.45 4491957.116 10091877.56 5750166.766 23140656.47 9232902.726 80415704.43 7022137.85 32776876.46 102281684.8 6749137.091 95125109.4 22098027.53 25180319.97 140887174.3 28781758.73 162081118.9 103878760.7 20351286.75 126503885.9 6564612.585 7018755.004 36905979.74 16782089.35 22511007.31 14145545.2 34482838.94 95766495.76 28145633.52 23616365.84 26922927.25 29956159.07 21295951.05 16256094.41 24520018.85 18863259.25 12588121.25 31886966.03 29223384.05 7871839.509 10347444.12 44863896.05 33258366.51 22771093.43 63590545.52 18537293.78 10489270.51 15368245.06 26050344.67 29372739.83 47661806.02 93908.4095 84978.50386 101606.3221 89562.26941 96696.69706 Bilirubin 606111.2159 207934589.1 15427538.98 7782698.769 686357500 185816803.8 266340995.1 400190694.6 525315679.9 166144938.4 239006986.8 289143599.4 233031715.6 332978970.6 470967667.1 383164645 245548740.5 219405829.3 360931666.2 569772153.6 358897507.7 605537739.8 413069469.5 364919293.1 616786998.9 11504468.17 4243124.13 381001774.3 701655482.7 459526392.7 257601821.3 353170422.7 386599124 425077038.2 412104805 377531084.6 150292423.9 311073116.9 808457342.6 260516188.9 245687352.2 563630601.7 870048049 610303126.6 321590207.5 268058921.7 387549093.8 428488327.8 8314063.205 1738279.937 290088846 457769949.7 454308643.7 341102628.4 390271900.1 607695978.3 446798184.2 253700429.4 371803241.1 159944391.9 281181947.4 471207232.3 179405798.6 270651786 286174606.7 206888592.5 395299471.1 233185685.7 290819239.6 203980237.6 388245816.9 1632416.471 1228475.202 250846621.3 383382926.5 156802475.8 371625260.3 185312600.6 234958426.8 582371499.7 293925607 367215573.4 213106969.6 271597199.8 189407350.1 320844217.2 311913968.5 177046805 287188894.7 223027980.8 423315206.6 189236713.3 206130244.4 3931240.077 1048085.347 997894.1069 243999.2024 6536917.158 2748445.887 464613731.5 392069646.9 960544073.6 325471757.8 281974612.7 297839192.7 529923738.1 244682192.6 292451673.2 909577894.2 518063592.8 357411030.3 245818481.8 424885395.5 638052022.7 409391563.1 24417550.95 11062904.31 97004567.39 498935871.9 339449012.7 158906462.6 238901386.9 361198282.1 276198370.6 241249866.6 223590912.8 420000221.2 196080564.8 259383364.9 269021467.9 205618843.1 299766709.2 1764638.482 1743969.813 195922658.4 187438355.4 87218741.84 183942105.6 335629725.8 137554085.9 269407108.9 227308328.6 236629434.6 227941808.5 159096375.1 108559631.4 219533302 165312475.4 255446836 3648000.246 854300.6334 190325852.6 181620667.3 99695361.57 127406705 102486090.6 163908139.7 121063863.5 90957121.21 158259243.3 193893924 144508829.2 206534210.1 99970172.46 87118996.17 276144417.6 123648064.5 140909378.1 8383584.061 8025688.119 87657865.6 263456.3898 184740.0719 178471.7104 182417.5359 225153.2424 Bis(2-Ethylhexyl) Phthalate 85232.14189 2481212.165 1963432.556 2366091.265 2389126.445 1709851.708 5832547.27 39619784.51 1243354.142 11115253.52 3294344.989 2294410.05 776084.5868 9440778.462 3927814.824 1307015.606 2257917.944 22511269.11 1425515.296 3247390.235 1934510.852 4233666.748 3529417.629 1135773.048 1883739.179 2127186.478 2428448.649 4004914.7 9480019.924 1070689.953 1465286.678 1393671.952 1922248.49 5188997.341 3095232.338 306826.6121 2508517.738 3573880.544 5458764.761 763489.0262 1470444.92 6697963.543 3509453.982 2420955.71 1887972.653 4069827.093 1737363.177 1565655.039 2067499.559 2408496.059 1971612.507 9794909.001 4102804.81 4098174.508 2211683.862 13342968.93 6686282.592 11760930.57 1776823.872 2133088.208 1350280.559 1560260.937 1964197.558 288798.336 2759798.743 1172467.298 739899.2518 815859.9987 364212.6865 2382491.854 8538291.604 2121208.308 2689965.175 1441732.078 3901057.156 7868550.289 4460151.295 618391.497 669136.269 8547356.726 4756074.758 4404957.77 231255.5812 3063404.815 2224070.264 1962037.457 3919398.999 1060918.046 1527976.42 3902931.208 5016267.343 5691497.45 3706818.234 2339319.451 2709997.383 107676.7123 91154.18124 1999194.764 1909803.786 794331.3563 573035.6227 717498.9945 579188.7362 8302598.08 2791862.196 3435285.012 2921573.706 1312866.105 1697122.328 919130.8475 931257.1345 4613053.822 4144777.987 8531063.475 698803.4184 2780667.289 2681244.022 1824913.999 609763.0831 1304096.848 2209413.89 1799069.137 4082606.15 7938842.24 552124.004 630225.1673 1725935.666 4304541.183 724036.9805 1249482.674 3084649.263 291219.1567 2594975.446 2873793.648 2572995.847 6657290.63 1771918.376 3676328.822 1391811.964 953061.8713 2142185.671 1075406.94 1699897.955 3498983.966 2163347.194 599172.6589 5004467.449 1150321.202 607455.8942 2571188.101 3238754.058 1822170.112 577850.4674 616277.4108 1692252.959 5762713.944 5142635.206 2078130.148 6266742.511 1226104.394 1925738.318 9276515.062 768476.1024 2064798.439 1914449.96 3420943.697 1989334.091 6426562.311 2762705.501 3099511.521 3768437.835 96121.22511 90944.64331 96418.91385 92948.51087 101854.9232 Bohemamine F 94253.08411 28330503.55 25237956.56 26759284.7 4395361.684 31497504.53 10604317.07 45034537.01 8443215.754 12242469.32 51874929.16 351410.7961 1828197.99 3158318.347 112819640.7 25208964.19 13089256.96 33115856.48 34744971.09 12596942.2 2276614.576 175022074.7 51129955.35 12238012.92 139236605.5 29587088.26 36977789.69 393146.9552 7524162.652 58985179.31 59068096.78 48452577.47 64243453.39 7110885.292 7806437.83 81385021.4 21000369.75 7426259.528 40675164.56 8399289.816 48647620.69 104716654.5 126453320.2 75831156.58 11852125.5 11755949.18 89933094.68 45955295.85 31655430.01 33718604.08 15374014.05 47356127.13 10027052.34 111070151.2 22108777.08 40177139.96 24241950.52 18221062.03 304453780.1 22678140.21 47798062.39 79073426.09 33240604.2 15741938.56 5170285.627 2000941.883 16324046.94 55342315.93 17816852.68 128681729.3 6041142.59 29349829.19 32188156.93 68056019.6 84837281.89 87649525.07 22666949.87 181732276.5 8532538.626 20372819.23 130296939 22258854.5 53726144.18 30259389.72 45491198.73 40763008.33 63175067.3 20720201.26 138849878 25229702.54 57647963.46 57626079.76 12308264.24 26732779 27320014.51 71792.48167 78337.30026 25450872.13 27379242.99 72779981.47 8216035.147 33769427.79 8400547.328 15166911.03 118104866.6 20465455.65 160893615.1 240301856.1 130217844.3 50650017.13 42436671.11 82000712.8 12672682.68 20883715.91 40009409.31 26461131.27 26704788.02 20793603.49 246872558.4 35792261.68 73071559.81 21653845.62 33838281.29 27731580.66 12847239.55 70519980.86 13894317.57 13905270.81 368831527.3 104157847.6 17144510.74 17815110.43 25180505.95 25409396.09 267204250.6 719203.8431 18598681.36 264590074.3 20553671.04 31107435.83 14536981.41 26802205.93 258208032.8 36611134.48 92655498.57 87903064.15 66900863.49 36577947.43 36404656.27 22689288.08 25305528.18 4154074.27 10042934.03 24992566.37 154518511.3 139859232.1 12159637.97 29851025.03 71986754.6 35503109.62 5908823.48 61352460.4 12845465.89 60943362.69 212257778.6 62908977.24 11297420.48 14728462.35 19305307.26 19128917.15 39473858.98 92815.09499 79836.94141 68936.45573 82059.43498 86040.00341 Brasilamide I 115177.3117 471699.0893 259748.185 480679.0522 437942.1112 329508.4142 443775.5353 4375097.647 233464.7052 97642.09358 1182284.704 92857.24089 736512.4733 2285742.826 307817.7165 469065.9889 310549.9919 1761354.179 845786.3007 232449.2189 453914.6062 380943.8715 1432533.373 191904.5068 554263.5704 332105.0589 646308.4452 629418.9956 543477.7449 3035350.933 1277501.727 434122.0774 488444.0011 425850.1984 950502.3548 251126.9322 646763.315 1673679.934 468144.5451 853719.0339 917310.7161 324934.6396 612495.2431 866533.6805 861238.3565 1020878.636 256402.9994 293616.037 402260.512 643614.7656 471048.2829 662935.1201 331040.4486 1396761.4 327354.2894 5219702.056 931290.2506 1949171.97 2502175.295 355170.9814 1145094.189 247554.2533 660850.1954 506384.2454 471895.9372 81172.50203 300027.8351 1116696.404 299826.2141 5103732.205 1865399.385 350845.0526 685732.2985 439522.6384 626191.5866 514031.5062 655064.2725 540797.0761 1684898.671 352632.5952 514666.4734 202919.9273 259058.4978 137140.0813 359206.9139 632151.9698 422582.0102 340745.5226 789239.7993 2276651.7 104637.2113 1579697.028 242174.1701 291084.544 551868.8305 89619.13951 110939.066 259946.4169 524856.1588 332642.2852 88588.73723 108627.1443 446651.062 493452.4819 566530.1826 351338.0291 436244.0756 845844.058 90234.25931 403046.8159 1288291.376 461220.821 309368.0182 358169.9511 861320.8945 518555.6573 657128.3779 2000315.193 944984.3888 504296.5739 2069170.661 545125.7888 1280735.557 474448.7447 665287.579 3288943.047 612034.7602 179834.234 3299429.3 347010.9022 294815.7966 509964.0456 392946.0658 604975.4302 661623.1601 702640.0705 462904.6319 320519.3361 624591.8523 519756.6104 201990.0322 653040.9548 472838.4814 729036.0923 795974.921 1088156.621 3342372.615 973148.0801 1074245.009 300797.4072 758868.2009 4172300.923 420324.5844 607926.4061 3039773.349 825886.5299 1701181.793 2562919.595 2474101.952 1448271.851 467872.0941 897317.329 103240.7242 415280.26 480102.2568 531091.1824 257526.1688 719486.7611 572791.7088 882473.988 1047665.506 101722.5954 97215.10206 106212.4112 97989.28074 105447.033 Brevioxime 95445.78339 986095.7298 2180782.058 1906867.934 191424.697 152855.74 452967.1548 1260204.876 276526.9366 3936215.415 454161.8925 1219447.504 154173.2753 208514.9739 1875957.181 4020649.06 1589319.022 385656.2874 174120.0052 1665860.692 1622938.207 1887257.191 1305426.987 6145875.652 1106574.874 2463646.271 2220897.591 290676.6449 1105336.39 348017.9902 2925453.337 191921.7386 1356627.068 520726.5735 1077190.779 972351.9793 147002.5602 2415085.817 2957762.107 267586.3352 420197.6717 251428.1192 1425252.246 407143.6803 347860.0457 468379.1667 419238.7445 3638892.279 2595455.361 2253589.64 2554857.486 4501866.665 143915.606 239208.9829 183157.9921 475990.5037 437124.0593 3799638.04 735636.5652 1370345.462 4530963.96 399614.5374 409113.9689 6321489.074 3750967.389 302132.0995 3388948.735 474551.8399 631582.2542 435883.8649 147824.7921 2437775.072 2382098.617 8059782.914 213209.9964 2727362.182 1569915.669 293381.7559 3581822.896 158673.9396 543949.9953 2820943.053 1035848.837 418792.4861 567503.3668 310253.511 340618.6463 2833601.546 413217.1329 509830.458 227084.4076 203948.1395 6822217.526 2684608.512 2126035.131 90560.60797 75324.99147 2519224.12 2218172.144 2386457.924 1101099.059 629644.8576 512030.6569 144684.4788 7725769.075 1032195.966 430415.686 649902.3195 472887.6929 5640253.892 3557407.238 2866747.717 2303031.385 237332.6144 1017524.874 3101305.235 2416483.239 724569.6668 686415.7533 1785845.436 440638.0999 554180.7526 412457.154 248664.9146 693607.5414 421655.9092 4655925.125 2933548.456 2796729.354 2492786.026 839863.6884 2800513.019 2892447.937 2553653.08 362832.9458 190053.5162 653714.0616 1796885.782 2360359.937 3112279.784 239474.2137 1096897.172 1783253.613 316328.9242 2115359.204 697320.262 7310092.888 1491742.593 5041716.459 3025735.849 3018064.781 384332.2372 2092766.05 579237.1493 2052968.177 4987928.035 4463767.898 1115254.948 198980.7574 4069710.079 215773.8861 751500.8862 809360.363 2461303.536 1374716.94 1299759.031 1055363.607 2114383.043 2011320.667 2263007.694 818504.1778 84559.52445 96309.39184 75437.76918 86016.81372 83984.84461 Bufexamac 115802.6355 2140876.304 2102169.284 4839473.722 175246.5067 652459.2544 1212320.104 24405597.79 1335240.999 159949.5218 181698.1136 1226456.919 156664.8477 203765.7632 166169.3624 1062886.839 500737.9708 363867.3195 166295.6034 315712.3074 184983.6807 9560897.111 3173752.793 201323.8361 2977758.474 2208592.052 5817712.508 709277.3428 143021.9476 17269644.86 708758.0072 258133.523 218570.3388 178141.4547 810143.1737 4549848.526 175326.8565 768110.9821 195496.9619 187532.5383 197019.4689 171667.61 6931243.387 223087.645 7867847.36 176822.0497 3054382.532 1443849.369 2442033.11 5130377.615 625550.9799 8815762.241 158867.9083 192591.7895 176333.5543 425015.4173 2998066.953 190363.3856 783143.0749 29809198.96 188920.0959 800641.8871 806063.3846 1142285.395 3032470.952 4651797.853 118194.2237 1271098.98 1284493.321 190612.6721 9763277.379 2076087.704 5742904.034 208866.6009 239414.5089 141463.1253 211121.3415 1134261.253 830998.5075 755709.9772 925562.6261 1340430.725 119298.368 279962.1546 1041416.479 5073968.679 147713.53 197745.3264 178630.8245 917356.6444 967458.5553 155877.5339 161428.0971 2108624.344 5071267.618 126458.0609 110444.5113 1970581.78 4825714.087 1772753.198 922284.7284 2803081.298 2210457.988 173845.2847 2758160.094 189525.3667 1369480.44 153790.498 5595473.064 189176.7241 2240354.675 188170.641 555093.1417 466190.6838 122158.0535 2489924.087 4995995.457 357321.8682 174315.815 7494087.102 203833.154 225749.6511 199319.1726 176190.2338 217234.9373 4247300.421 1070369.512 174683.8449 5586160.725 7938317.754 212942.61 2296830.866 209566.8372 5408371.436 189402.2274 216308.387 1311379.692 2042651.958 871977.0512 2577675.1 164873.6738 1121094.905 199124.3343 963906.0366 155710.1668 2466385.131 182084.685 198352.9276 547415.0238 2174673.368 6007854.616 2390565.359 207925.8483 140971.0317 5376204.372 1836725.069 188928.9962 226463.1449 1676114.105 188500.6825 187170.9006 8893605.4 200806.3224 235186.0055 602820.2026 181872.6798 204077.4155 203298.2143 2192541.053 6144441.876 561779.2216 110590.2707 119759.3462 106994.1441 119075.5759 119023.9607 Butyryl-L-carnitine 134747.5363 33846432.19 34189652.74 39579382.31 28175766.5 37496883.58 29859941.3 223006995 41765006.11 17369511.88 72101592.37 26402962.26 33303875.54 77969265.05 47955250.64 35075522.71 49111333.47 132864338.9 31720360.83 28007852.11 67074341.35 36284712.29 50051200.82 56990963.86 46349094.95 39110502.31 44943666.58 34535771.61 53035307.59 84760222.95 120278918.2 38698924.83 80876836.18 43333120.59 43217909.38 31361886.41 37639174.72 67168118.67 44223631.72 33200792.66 55205045.65 39280111.2 35602394.95 58328228.06 45344235.61 85580236.93 23321805.76 15322121.46 41040114.84 43783619.13 22005882.48 27026102.41 27559245.96 76488510.06 27072363.05 91666644.39 107289152.3 106963361.2 59910377.03 49517629.47 77654037.62 97966663.14 55148241.97 41472829.26 37454444.94 48926878.88 24663499.9 62274667.63 49044395.47 68042212.72 65983308.84 47600857.09 60069339.07 54739214.37 48265705.67 23347550.76 33156755.52 55928987.82 67761971.28 25471297.25 48259308.37 36663317.07 32158322.76 55087606.95 18485290.52 46789799.55 40960717.61 34998789.81 37068617.08 18481699.81 95399584.78 59525203.41 18094125.68 55379152.39 52252276.92 134337.33 137498.5123 44336568.84 46639323.52 71737915.9 31683383.2 71433823.76 72349409.44 76280726.15 42876560.83 33766526.79 53277225.91 70551769.62 24492740.29 67276868.72 60839373.11 65564937.57 48910018.77 33752406.26 64267148.62 75543185 65513620.57 101173378.9 62835989.59 86368315.54 65725554.06 46662100.66 43219467.73 47355150.8 47220529.11 46616815.78 32690209 35712128.44 284875941.4 43292929.16 67195683.95 46346545.77 68314582.45 70965347.39 102413510.4 49088743.65 67601582.34 28577277.63 44512946.47 45572271.7 69066396.86 68963345.22 102884214.8 39372202.98 147755424.5 37633245.32 41853274.63 82930381.55 39282036.88 49496140.8 83738011.77 89295291.91 35151053.15 66529421.97 109815101.8 58297310.8 47193498.43 163249987.9 125994618.6 37768864.7 104427683.5 40212570.11 41927389.12 42881674.27 34431342 34471036.71 30232920.21 33672845.24 53057078.63 59050354.96 99813060.92 131488.7318 134588.1054 105265.8833 122837.2423 145819.442 Caffeine 340509.6081 145815058.8 185997400.4 241087849.3 1985225.003 211612909.4 38665597.47 596365329.2 1588869.82 29701547.06 205767733.4 149923196.6 41019768.45 492473.1547 5886466.345 266334264.2 65561950.8 201331872.2 2795646.689 271306038.9 6555389.46 215713828.4 95901004.08 22757051.85 74164716.74 199486416 280355910.1 699863.9868 37039150.47 28219230.36 24993133.72 3181117.024 499872142.7 87614730.69 580107089.6 47443104.96 111327637.5 45596996.63 32559792.66 204864484.9 11164397.81 37067788.23 11650543.81 42959062.97 4570479.767 554832.913 179072.8953 40360233.02 206496274.6 264626963.9 153576495.4 588288702.9 39668604.86 24669683.83 1052645.716 18349017.23 1122636.2 155602474.3 4072787.227 29104943.94 22779173.41 567382.5295 47420845.04 2436805.729 7470004.002 9345116.922 6832494.603 420179337.9 158258595.3 9418776.567 134982092.8 219492824.2 326830587.1 6499464.417 2943896.731 449631643 72594364.04 302991018.5 189836270.6 18060460.63 600052039 13183360.36 78771034.99 109373024.5 89656907 27801940.45 6793507.497 519348323.7 264877673.1 9516291.01 83752747.12 42283937.56 6312484.68 238578023.4 291029375.6 305043.4174 410660.3212 217864563 281900359.6 145582208.2 1011939.755 204470.7015 36249734.31 4281783.588 170781098.8 478906.5874 161529063.8 22283711.97 20337330.96 307152474.4 98609361.7 676735940 18639491.65 12756097.55 9215286.081 304603862.9 334299789.6 739287289.3 52964773.56 3024236.265 2625099.518 50522666.43 464200346.6 26463142.71 129462721.7 168114758.6 96925707.43 408733885.1 159301848.3 469713.3476 77187483.43 84820613.48 265046494 348929169.4 1613527.097 245081.3245 118773338.8 56084975.25 72850993.89 333838585.4 19137001.18 676376.3784 165944582.5 950882225.2 71051080.9 177207802.6 247547.6422 1804612520 17656908.75 275364959.7 366458943.9 43727568.61 182509972.8 71232318.11 401181725.4 289663329.7 17693789.26 132991899 14049867.62 2504813.606 28521002.84 565769960.1 429195753.2 103455756.3 331193338.2 14782377.21 1933452.802 68137202.76 284664494.1 380968929.9 231869965 419609.3818 399457.4414 348491.074 320866.8105 256758.1069 Capryloylglycine 128407.7678 1075098.13 356495.3898 387582.8024 328293.7754 400758.926 1218253.721 2223211.441 660462.9987 178521.0204 1053927.078 657550.0171 584482.8969 1460714.757 903079.3622 768263.3228 180282.6439 1546658.353 294926.9971 1021103.117 2553179.766 878309.1194 927795.5693 1437070.716 627676.7567 601575.3392 766978.4723 805813.768 835687.4409 702722.2922 1183532.122 690113.4729 1198344.308 374799.8747 871358.1226 540911.5269 708447.8472 1335413.206 722466.0816 504676.6917 151543.636 361689.9221 662821.4412 456984.916 943332.0549 1379748.339 680654.9968 337988.5201 487066.2502 810008.4332 789837.8507 69005.51515 774351.5005 1103746.99 720458.611 1122171.332 1139253.296 590970.966 940224.7105 1136353.803 821971.6429 743602.352 981721.0035 900651.7215 706090.7766 879928.4465 1225306.105 707347.7813 471030.1632 183569.3294 902866.8069 532613.0225 621939.3295 944785.7691 709452.1463 981222.0595 855759.7139 412204.6382 936283.6139 599214.5764 830621.1531 1835720.097 1136587.646 758969.9432 233681.7904 576799.8312 805082.1195 1026065.43 680753.6652 468289.5821 143676.722 1139820.111 756763.2034 541882.7361 847065.8607 125160.345 112121.7927 345278.6073 670547.1773 245484.5935 882131.5935 109710.4739 284664.1316 608468.0482 530610.7202 834382.4707 310387.3777 430402.5003 204328.3224 774135.4635 771882.4837 111259.0121 968369.5015 376453.0028 1136073.054 356209.3023 1117263.979 913541.276 313687.3612 922503.5195 176901.9926 138849.316 1102581.099 962034.4733 758733.6374 969783.0099 181855.4168 869989.3887 235591.2193 789907.8303 731234.2449 952356.6323 637757.8967 811181.1376 138262.7003 445580.3771 1260128.279 720604.6425 934281.5525 494813.3844 530494.7702 2160624.781 902775.0348 908754.2263 1124204.251 747543.8396 958129.6608 935633.5429 681213.2507 620969.7128 1156581.911 401060.8599 438964.9481 717332.3069 1166216.181 486570.1524 289220.5379 769113.8293 666926.3522 1472929.21 835435.4033 156250.6224 1078830.518 759248.6706 701161.7918 306031.8651 456107.3009 733133.151 638144.7647 903066.2904 1404548.714 139455.2773 116411.5705 118345.2286 123361.7115 141218.6125 Caryophyllose 71951.27935 1003319.586 582548.3819 429902.2978 5774132.949 4982680.32 16297802.45 5749244.582 5469735.621 4049449.452 4415700.861 4462658.305 5823819.595 6233551.735 5215497.068 7143732.354 7466056.636 613474.6033 2913909.066 6271724.964 4186324.793 108684.2688 9061001.281 7920289.848 7560003.612 884069.6603 382937.954 4951810.63 6939168.369 3574550.339 7316347.867 5706246.98 6213615.108 5654951.06 5253165.035 5784781.128 6003099.582 5313972.562 6661549.271 8459011.138 4673405.697 5243392.246 4637439.442 4591932.759 3790833.026 4257894.001 4077877.87 3878228.018 627628.5418 390066.6196 7714576.276 6393918.22 4705333.054 118753.4293 4335987.134 9979697.275 8162561.991 16084102.56 3746368.235 5876484.161 4063875.757 4045146.771 3784038.938 6461315.451 4156745.876 5268962.535 3628377.647 6626428.458 4672428.833 3700983.396 3458390.417 1083006.532 367505.33 3229925.317 97415.86879 3940017.335 4419326.296 576545.6922 3615495.836 6169314.606 6264061.03 3023405.125 11664272.47 1585950.352 3614600.944 3695401.599 4136607.127 4810050.095 3690023.906 3405782.875 7941351.705 3544010.959 3524544.236 546252.9159 736944.455 97760.78784 87587.89365 739028.8334 332652.2765 6129876.184 665646.4565 83428.1696 4708046.225 2855738.188 5033023.404 5417364.958 4289208.039 4522944.943 91974.41727 9206433.859 4614232.577 127769.111 5825273.461 111284.2467 128233.9413 889018.2639 358571.47 7264389.889 110356.7764 8545232.068 105257.822 5329204.489 228105.7087 3581441.2 4834746.945 102870.6557 861426.7171 7015264.686 7390725.489 287701.4526 3364824.015 4661839.41 594069.3976 387996.7352 107469.0792 543305.3074 121756.4446 9279195.326 6922161.6 119795.8991 95860.07282 12670160.45 126062.7132 3889060.506 4166172.311 2983068.94 3800491.906 7972395.177 6856581.938 560778.5898 460393.1177 9848633.837 3357882.149 3670414.643 5323296.699 119097.3336 1941962.648 115645.9804 351801.2222 5037702.109 3539736.282 11473374.14 4667063.287 5006621.979 4716066.108 5452232.898 104531.0026 3443068.302 650700.3624 674724.1077 227654.4377 102654.5182 94691.98864 100060.6646 93110.97157 97485.68039 Cellocidin 182746.9148 8340777.42 9655757.567 8814821.431 14318060.76 12894009.59 9281128.986 9015022.072 11076342.75 12359019.41 9819120.562 13059511.95 21229778.66 14030005.98 13990298.8 18490909.29 12820175.41 13292816.7 11140123.6 8619773.968 16723048.15 12096830.31 17566516.01 16273028.22 13298871.6 11671282.52 10643638.09 11274106.15 8373318.999 16390909.5 16723349.97 10258044.79 14874654.63 17000071.18 15411462.44 16351188.73 11010373.11 11721468.83 12079912.71 18663971.15 13661608.67 10005721.89 14252732.04 18391773.01 11764033.94 14301670.61 15381938.74 11167769.4 12194669.49 10896924.96 13909132.75 13433538.9 17984338.92 18054968.94 10371571.52 23979229.81 26091344.14 16409278.34 11260894.13 9168930.66 23057907.05 17159645.71 12973728.39 15801481.21 21459710.73 16182328.62 14986932.3 11244745.03 16471504.72 16264803.22 9762263.347 12655392.33 13248189.6 16731808.08 14418972.83 15880834.95 22904108.39 18583756.37 18806767.23 15884961.64 11575494.58 24364438.41 16621890.79 21654350.1 13820395.17 10909188.36 14236053.93 13947337.92 13859033.31 11922167.47 13408965.93 10976300.38 15183428.15 15020999.03 13578845.48 196616.9335 211550.2226 13263610.8 12073614.16 21740057.83 17383635.46 19770696.47 18942146.51 14932870.57 16385850.94 14499848.83 20282483.39 16195351.77 19530832.47 14758801.83 22314894.52 22901623.44 15929869.39 13031604.19 30148100.62 18120152.95 14091967.55 13834693.42 17709301.34 20243494.32 18923607.22 18022393.57 14728466.38 12680512.68 14277198.19 13031991.02 12318139.57 13647877.3 26010928.07 40327257.67 18356816.99 10124503.41 18776850.95 15920094.42 30434697.39 30413508.61 26304840.15 21075640.77 18996071.55 20928569.36 27924123.04 18672696.83 20383437 15511482.74 15077124.68 16487449.29 37989826.59 28262380.82 27037498.96 19110356.01 17276892.9 34371521.19 26651945.39 17338081.33 18159678.36 15395506.89 30129194.98 19507435.37 59181531.83 22965472.49 62362434.96 29609357.33 26186773.38 21967463.44 19116340.15 20836350.03 20366867.44 17676366.93 16405097.67 15624598.42 19246591.74 217961.9139 196586.1434 204718.6977 204490.566 198994.0359 Cer(t18:1(6OH)/25:0(2OH)) 343279.1649 3101424.965 852533.8534 584136.8566 2176710.887 3514266.758 4362248.322 2930184.198 3312571.7 4316226.613 2809597.1 3311770.149 3555445.989 2363853.404 3261768.236 2043255.722 1800347.272 2357373.672 3159259.879 2915932.435 3059386.696 1852381.668 2963312.911 2218940.218 2629328.929 513991.0958 710730.6051 4496317.659 2094857.694 3233171.277 2591078.939 1981087.624 2331492.842 2148294.786 2858705.997 1526938.582 2035066.306 3469583.681 1495572.617 3646312.096 3683824.134 1902359.799 1899534.317 1767403.147 1557903.264 2064022.217 1922138.661 1947355.439 820285.9099 995099.2336 2926938.835 1395794.68 2175044.913 1672808.324 1657423.521 1633501.831 2059389.834 3552432.962 1495467.06 1671004.655 2272852.275 1898387.274 2805860.074 2669920.954 2148232.331 1666498.655 1498737.986 1842608.849 1167207.268 909700.6265 1439299.94 591621.2922 713989.2461 2075261.262 1703303.469 1361727.533 1523977.345 1325006.033 1892963.513 869782.7694 1601228.131 1537174.959 1886855.795 1866347.338 883889.8688 697514.2586 1209959.742 1889213.554 1105102.249 944263.8222 374065.0571 998215.2565 1010239.034 513885.8516 605940.5573 605762.1481 197720.9945 522809.1955 497924.1835 375830.1522 550826.2868 1063680.027 698665.0799 586566.8235 396304.9169 345573.3612 1296451.986 761049.6474 913504.1824 710447.218 992993.6445 184380.8375 599712.9645 1054605.169 241675.0385 579255.5695 531732.7297 1188466.341 197345.2845 433907.5783 443826.893 872463.728 243864.3298 904789.5682 207691.6093 608437.1796 237333.8109 767881.4526 243396.9234 504649.9475 147167.9469 1159207.14 559768.7342 531521.3205 134600.823 168453.2091 116621.2507 573666.9439 190571.8781 132555.2606 162412.7805 416598.4198 141594.0233 210991.5365 475881.0094 706781.824 156256.8429 148146.9932 193279.175 550230.6631 588262.3409 158068.7656 185045.1661 127017.3612 495250.782 127958.0543 188681.91 374560.5139 112478.5422 127384.147 176029.1248 134076.3088 238228.1963 156240.0215 123788.3072 200582.2182 537447.5926 149985.858 605355.2529 621731.0117 120770.5984 180094.7817 150035.5966 160889.1541 159791.7298 167975.425 Chenodeoxyglycocholate 184899.0326 24989515.71 40121169.3 53197967.49 5092035.446 7931949.004 12779911.8 83227765.97 3353866.139 8613251.461 16705469.53 7131568.809 3220560.182 16908875.65 5710128.012 13477568.49 40732650.67 16038804.12 14669904.89 9438067.353 15059829.69 59398510.75 35398070.93 17492720.5 14136341.46 39502545.8 57269483.41 14871494.93 8813264.535 8768334.049 11621847.3 3889070.252 18409869.56 115223473.2 8539975.761 6698832.567 13212673.1 8133748.914 2625427.013 9166751.763 7529739.936 54257031.9 5084951.82 57900797.2 13401275.79 13301698.32 10704939.31 9882929.509 42259196.5 56713467.51 29191754.22 38110489.5 10179974.62 29677405.93 16618514.98 15768413.89 15071672.02 8090844.841 45887196.64 8427956.55 2897323.377 7130586.199 28645211.63 4698349.997 80114517.15 13278091.08 5474040.413 20810661.8 6415878.475 13186335.74 16772407.76 43565240.47 58402383.97 15849299.1 27801294.67 103580905.4 19709045.44 30496094.72 14334805.75 140446362.2 42830039.78 14342057.32 3197906.628 15560842.55 18622898.21 15694408.84 26746670.82 20398159.91 21335416.31 20911262.59 45484100.87 52945556.29 4490091.314 49088859.55 60206562.18 131962.6401 230800.5727 43987362.53 54142442.05 9235841.627 3273278.801 3155982.735 10585377.09 55561986.76 4909237.769 49396966.76 1608950.498 4832828.425 5356692.305 17546427.98 15739234.44 14113718.2 117653108.3 30261111.71 2994183.545 60231820.57 70000561.28 31714959.19 6276240.722 2232293.764 6250968.701 11423883.6 15679759.55 137502639.6 5071035.422 3511319.09 18525137.17 26839683.23 5446529.316 4169171.929 7825637.094 1104782.821 51155080.13 67281934.74 2903857.043 37178240.27 4473140.075 8019830.597 18022181.46 21842437.67 24935210.22 10341483.74 10636563.89 65904113.24 33180257.3 8211442.983 17004700.67 8566520.279 752431.1223 52615448.34 73768310.93 35630261.16 4449681.476 5164689.456 44963370.27 41007472.36 46947801.39 6912438.45 48952800.46 69047974.98 3725878.571 22320666.34 3469397.234 11223847.54 18644730.12 16715184.8 16942281.43 18049125.33 52235114.08 72913256.15 34773491.62 321971.1345 234992.544 177197.0802 139588.5403 147332.9894 Cholacalcioic acid 187142.3889 1778476.068 884515.6378 1841561.695 878211.5969 221019.5084 183253.6771 73547723.29 3918951.516 135139.7461 7299114.145 1041709.827 159690.5715 628904.8201 195839.5923 18365093.67 4851140.996 8639202.594 258305.779 1042218.458 15864879.04 1392302.13 456797.3538 640495.6685 634243.0708 1126142.818 2088951.683 445674.239 4441382.814 1471428.508 5921535.239 2529425.552 6649421.815 1704929.336 1599213.014 838800.331 3167399.631 1007593.472 133906.4486 2368689.364 763773.7411 6928234.672 7848503.108 6366076.33 7299210.154 1932324.41 1259127.338 5984105.979 885157.6144 2237243.273 1147509.256 6616620.358 1159506.539 8643863.623 233862.3395 638059.9533 484821.3939 545037.2508 13113039.59 1455328.604 442910.8146 761198.5773 10000596.09 3873564.741 1315576.603 11059563.72 192806.6644 2240087.282 3443601.374 5336321.912 1124248.489 1559238.227 2001735.289 23070247.96 754514.9071 240029.4614 1139753.206 695459.0635 5806257.89 1707291.291 9273474.744 2220963.707 2535077.979 218425.6605 4797029.701 272266.7416 1555934.569 280790.9668 121293745.6 11562786.51 26207118.42 4716377.421 2525057.226 1668826.295 2355034.324 133563.726 233600.8466 887328.89 2073591.478 151120.5779 172472.2494 458693.5026 3826234.562 1074581.284 270633.1034 12677028.11 317165.8981 359202.7639 163447.0331 3390376.993 13901734.75 16246375.69 5697507.276 658545.4268 258577.8649 1881880.667 2916171.222 25742583.15 195818.9532 466776.2206 1907365.829 1407767.935 1306390.075 2173138.839 389555.0646 145384.1964 757328.9303 939503.7572 162743.6641 145817.0614 1101421.829 154286.982 1511704.474 2483517.16 335239.1108 2482650.733 11732392.12 6639209.715 565675.138 1015988.564 2702399.954 7376502.407 384988.8199 22913048.74 14980581.68 40364910.08 712537.9644 476776.806 326495.1214 1466039.578 2627441.207 1956796.212 259630.5146 230416.4401 2260557.87 915542.5309 218124.8352 161226.009 5066235.11 1821270.178 10806942.08 1639431.334 4307533.127 1252512.238 3112028.825 480995.1406 157657.1231 1020679.469 1461867.871 3005081.034 2842981.998 325877.5692 237843.6785 179346.9897 141282.1502 149120.5617 Cholinephosphate 206142.503 27721512.07 48302685.01 56668664.84 30534186.15 16968163.73 37632615.93 11999199.16 22341111.67 21857447.15 25034961.78 17680716.21 22008404.99 22373122.35 28517492.11 31384480.34 37674239.1 31857224.07 14094623.27 38023493.73 39808914.03 23666192.12 10537407.86 11409562.67 36216212.83 64128935.11 65333881.93 21326036.21 23571704.43 19744584.15 42027103.27 29460652.16 37712973.75 17505283.77 11665064.98 31509344.47 23574111.76 15452494.17 19334187.74 19907145.38 35175675.48 20767255.12 27755325.88 18915560.6 31241396.22 38220846.84 30083950.37 42538800.96 63038204.48 63275838.04 30729636.12 37850628.73 21360047.39 32455405.11 30895468.07 36922430.49 32893833.42 39809998.88 42654947.33 37932636.71 39453722.58 21034378.71 28126449.79 32502624.4 19383023.74 37659744.45 28231498.75 25156711.36 31281136.4 30773087.75 25867799.23 17188040.14 49044988.33 30810345.18 17166387.66 24544538.32 26683823.24 27434090.65 17146875.81 35423093.82 28524098.9 30294557.05 32293725.12 30453535.23 29430215.76 31229740.97 21771933.03 31657629.44 19584329.11 21619921.36 23130765.44 39112732.33 25430693.79 51379278.98 40184073.34 222555.6249 153393.592 47785846.05 49029176.87 34240226.22 36348638.17 36205113.59 41340448.5 32214678.72 21567842.33 27118444.38 35892945.74 31233760.82 12419496.8 29600734.41 9085200.545 26714663.88 21776516.4 16146781.94 30846567.79 52649940.16 46444778.57 35104670.08 18817211.13 30401784.72 18807910.56 22312309.71 18335337.18 32282819.15 26727181.42 47486131.11 26452142.08 39429979.96 28621199.08 26692374.13 29294233.27 19824165.67 22527523.7 22018117.75 30273178.55 47075547.88 27005489.59 26007929.23 27353353.11 19364179.38 20752811.85 28513040.54 14677025.6 27523317.16 23712131.66 36889044.3 27943735.48 12859929.27 22769685.77 44780268.39 46389441.59 29551580.78 25397787.54 19732278.31 21709787.86 24140053.64 21258445.71 34260725.63 25610965.76 26150458.52 25170931.56 19638470.26 13511464.15 17588440.9 19045386.66 22376008.18 24196322.03 19763901.1 56839892.47 20779744.93 13031935.59 182976.8433 181089.8434 204592.942 188454.664 177189.3066 Cladosin L 865640.4488 1621469.688 2274718.901 3300302.222 1350935.271 6010637.42 5930223.441 7991968.402 1413969.331 4581978.166 2068912.64 4718613.663 2036894.86 3327219.835 5641897.194 6131989.146 10428410.45 4419095.335 3517226.189 6116580.417 4381635.818 3944939.831 2565238.499 8006414.151 2511011.634 1325492.85 2049832.36 4111102.528 3450383.893 4161595.377 3622364.571 6244173.859 6130622.191 3338377.976 4605210.337 3303699.125 3321036.756 5670055.595 4877332.701 4842973.825 3056742.142 5392353.092 3312730.662 7469396.67 2713573.956 2153105.934 5875352.073 2211970.17 1137880.047 1453759.719 2747344.228 6798369.289 2889183.616 2332295.788 4358451.078 12007805.98 9419259.73 12476027.18 1333590.572 4336777.663 3883335.564 3520525.249 4801552.48 11506816.78 3874143.911 3894189.54 5083108.003 8511033.592 1514920.068 5072797.927 3634184.002 3320312.386 1710607.849 1325301.977 8660954.392 2749372.147 5504713.673 6271215.46 6200326.938 1641955.908 2906379.242 3419354.729 6029877.262 1984671.749 3425912.314 2821244.937 5536312.997 4427211.847 4215591.133 2768837.303 7263693.446 1971947.86 3995199.296 3496276.529 4222448.167 137886.9173 903278.8213 1534873.172 1680401.437 2282334.523 976961.6954 8199745.027 4791678.727 1537925.693 1920816.049 3246638.073 2509345.091 2379012.415 2867003.551 5679416.248 2286966.262 2967186.717 3425665.05 3901943.111 1923249.36 2876294.469 3518073.372 3743242.718 4273033.671 1018551.459 4233652.05 1963849.681 5713483.395 3349903.085 2917934.308 6620588.075 1832169.056 8176895.694 839863.9454 3460263.428 2662020.344 4144906.362 1903490.766 1830131.823 1057311.587 2316357.523 2083520.047 120876.7571 2275895.957 3974497.749 2133967.82 1103883.338 4373403.415 3063229.591 2392386.432 2099940.503 2654243.182 3736325.662 5830265.966 2154127.089 3200188.462 2596527.278 4250058.477 3620190.329 4005345.18 2300026.613 2695917.241 5252117.314 1940103.884 1645226.436 3912388.791 7854932.443 2052356.223 1819936.209 4377307.88 3703419.878 4507505.178 2164983.529 1516734.562 2017146.298 1608236.292 937211.2258 812667.4673 775998.4663 642302.944 603314.9688 Commendamide 131116.8224 1907852.67 2104662.904 1902555.417 3462874.472 3120573.053 1164957.225 6715870.922 1447662.745 2287666.722 1493454.272 2545298.642 3671466.428 3682244.949 8663536.571 2525040.688 1703163.303 6050799.731 2000929.411 3938698.233 5506855.587 2710549.506 5896822.216 4810272.532 8966387.246 2617813.617 2618499.835 8029751.186 5268190.171 3071416.885 3651011.695 3571094.882 3839162.04 3921390.079 2409668.003 2737465.797 5892834.343 4327241.933 3433030.702 5701958.667 4078960.707 4183040.301 5240773.466 4296998.912 1828339.055 3952671.545 3569172.942 2974456.191 2940138.553 2693640.817 6506392.627 2844443.298 1698294.874 6696691.205 3978430.992 9779359.14 7594410.25 2841882.918 3945196.67 4397119.729 7459775.065 5605007.952 6174756.894 4143549.276 2731123.988 6133223.222 2721439.194 2857341.285 8079072.435 4354812.266 9231786 4076398.881 4699458.196 6003293.382 4811324.8 6456343.316 8793541.483 5496608.415 3873119.883 6590216.154 2788300.912 18207461.56 4181461.45 1144692.907 4554982.106 5382641.804 4696029.121 5049354.604 9171239.926 4849466.022 7154347.897 5985388.789 4378767.486 4774966.51 4390083.072 179299.6345 151433.0812 4145173.183 3525707.893 7588367.361 5072446.387 7699459.583 6770942.69 6916003.981 7136113.481 7146590.134 5017590.213 5147950.16 7957651.379 10055734.73 5420675.706 11003460.28 6068338.665 5784056.159 2684698.284 6446388.238 4903886.925 12122039.03 7997393.164 10959536.31 9849052.02 8316531.809 6220213.993 11338866.2 6735399.691 5816585.723 7110232.4 10727047.19 12940143.43 5924209.414 9782266.919 7121947.949 6354699.192 5484548.546 15569829.83 9669379.405 11241124.61 4448916.941 27472546.51 8013910.491 11574081.93 13856431.29 5813012.042 11957944.85 5559582.703 4474623.545 4776798.121 5836513.258 4859068.14 7010352.281 6403709.537 11837334.5 4466922.715 7498880.087 6947121.48 11944025.37 8146225.931 22104257.6 10367713.96 11171431.18 12675971.72 14957761.65 8868564.021 20561595.53 3776699.919 7807548.977 19383879.14 5249721.577 8161554.577 7227204.626 6316800.72 168453.6023 131096.2283 126626.5822 155161.8217 137446.7258 Coniferonic acid 789787.0476 5780021.909 54732086.53 56776553.26 2241096.166 3939506.553 4120853.325 7189254.979 3179657.147 3042160.275 3923979.766 5692305.826 3646261.674 1582443.452 3050477.378 7959064.198 8327820.229 2645557.72 658030.0746 4332086.715 5950032.553 9242566.298 2742069.72 6159326.093 3138407.985 54682026.04 58688227.64 3234372.591 2054397.194 5106484.383 6148564.059 2485132.002 5257818.167 3367914.766 6498527.893 8521032.281 3286079.287 3892907.528 7607619.303 5687739.604 6464489.482 4170766.96 5642361.857 5060492.67 4779165.63 3568355.021 8902321.757 1395435.377 50241053.14 51608141.77 3377710.016 3228744.793 10568814.91 3716194.992 2735054.148 5591279.074 5122047.028 6224290.245 4507016.411 4765455.865 8499890.505 8102568.969 4474661.433 7651700.413 6599820.513 911599.1938 4491981.314 4768924.631 3255508.79 2734441.145 2394850.442 39113531.83 56927930.07 3480974.653 1218326.521 1876269.598 2298862.84 3796072.506 6931080.841 4604076.566 10076660.08 5050533.059 7669141.696 4180619.528 7023107.862 4971416.924 3972954.291 7880003.465 9595078.176 2486318.749 4553888.357 3512084.277 2723599.631 44632023.02 46489136.05 1178082.601 394652.0588 55805217.77 61424071.35 3184053.851 5848170.299 7239427.823 8220321.136 4342040.891 4488723.166 4438191.476 2621671.469 1631291.649 9495473.549 7513958.588 2296945.251 8151864.113 9423918.599 4333749.884 13833188.79 73529654.91 66943050.16 2794488.209 9482776.145 4466274.421 3393000.698 6172382.948 21507764.78 1663191.919 5854811.527 1533498.314 10567467.17 1057389.691 3785847.393 3150670.435 3191663 1916883.443 60953668.15 65558346.44 2591257.728 15947190.17 2913755.324 1229796.212 7817490.533 7663012.958 6803102.792 604607.1018 4063183.133 3927224.854 1505718.672 1777853.145 6104021.871 3531096.673 1843785.609 67887052.57 72049954.82 7260787.108 7859431.62 5551243.735 1509631.994 10107273.26 7121007.226 4486769.221 4490530.142 2756244.259 3499757.298 4849935.589 7433309.49 7555433.292 5317978.329 7225378.088 2464441.054 4848754.3 70695894.28 67820591.35 7236129.654 557270.4522 525282.58 586699.3019 793882.0991 726688.5435 Coniferylalcohol 170924.4827 4278076.988 3334826.423 5444625.664 2708937.756 583502.9792 9375717.352 11867539.75 4534488.662 6198266.128 12736126.81 1818650.196 331010.4463 10111004.57 9936410.585 2665910.527 5069984.628 16403618.4 2226664.278 6336465.77 32089232.79 2934338.009 8775473.622 1723494.534 11930024.69 2989415.628 5280277.447 622027.7677 561200.4897 8007277.467 1496022.479 3555839.659 1115312.054 7142442.696 3259571.698 7637718.731 3884625.82 5890067.192 1149712.611 1068191.532 6436846.267 1956775.824 4897438.507 290900.5995 8787581.168 29326808.23 6174833.892 4035850.021 2475059.421 5886391.166 1568905.439 2001570.422 384026.0786 15272002.7 305876.9795 13551447.32 15281568.92 2042093.297 12816899.82 20026543.12 4400271.242 1219004.49 40180947.81 8614748.178 770970.6943 3180003.721 1687692.077 20199964.89 7892268.784 1210246.851 8754873.907 2711901.909 6552438.326 12652022.33 4173510.672 4535906.92 1264036.695 3716225.776 8009064.245 1094280.785 5912427.665 29574150.37 14306638.36 16474627.94 4472113.879 10447218.12 3303743.931 3848539.751 5657831.615 994157.2019 4156302.033 4546949.414 2748245.832 3783548.947 6503611.336 358053.0765 299618.8718 3211557.448 6859291.877 999590.202 1337762.957 2759428.493 9818513.19 536305.7742 1788991.004 9890583.89 19005027.49 3242517.286 3154079.235 3037176.093 8253607.467 1671521.776 6584966.286 1117472.467 6613460.661 3720645.366 6097070.615 366226.4537 7052579.796 2367641.41 832107.8828 904354.2772 24101276.87 6222791.553 1571349.925 14623063.43 2893610.262 12113852.45 5148590.728 107041734.3 3399275.437 21126237.7 3311309.891 6384638.753 2586056.751 5735871.873 3963703.011 2452627.34 4922111.101 16010677.78 4590168.452 18931809.72 195275365.8 2138633.19 2311576.366 3233232.368 1440680.283 4518972.973 5015925.162 3473294.226 6927776.328 19828393 539964.1837 2964182.421 3945633.508 17114682.48 3439342.313 10312410.02 8282736.449 33480873.51 6135981.528 8476139.382 16367021.24 6295814.063 1475189.931 3203069.904 347114.0525 1567540.334 3762148.67 6199660.973 7373850.437 256423.4568 238225.8957 275983.7886 256615.0543 248933.6972 Creatine1 931339.5849 655509294.1 653874140.9 777222903.5 620024927.1 547890254.4 361443713.6 513947454.6 647261016.7 371402133.9 1560843652 842828613.5 688582082.7 318462487.2 452410505.6 1420881728 1782484962 574787784.5 436879209 449003221 1522603630 1074652535 1070723220 1379127523 347074699.2 719907917.8 880226708.8 377959852.9 674713347.9 1255448422 1123191527 1602068400 656215358.4 483401369.5 1093171392 717592397.6 1418619091 370099954.2 788989764.7 1210240728 1716224977 252977698.8 537744785.7 1275134803 947735733 552445495.7 1009502729 432253633.6 751498018.8 889363338.3 479009244.8 687515750.7 1271215425 1789631414 482739651 2007053910 2383112418 515718978.8 1280924064 905594591.1 1482647791 1504421356 1764879462 859572291.6 1042903560 344036004 1337824978 1433747437 1312188527 1572803390 334225127.6 789845914.5 1036171953 1447301058 570275445.6 1221469068 864048085.9 959775321.2 1509681354 436269145.6 1277123447 1175736718 1209086891 748247678.9 915769753.6 477816243.7 542438249.5 1243616938 363658958.8 306864534.1 558559884.8 969024929.2 458738091.9 847820612.3 978790442.1 701465.8615 251859.4494 733311161.5 900339184.1 1111701071 1156926484 531810271.2 714181645.8 1001472749 815471485.7 839809360.1 462914888.3 1078090905 1497903275 705926254.8 1014964021 227710348 442092705.4 568726935 1026293307 1017650482 984195073.5 1190702654 544404121.3 421895997 1431553810 720970950.4 1435668897 335627135.2 1261068922 625089353.6 1309999393 457844979.2 1106647289 617423255.8 1062089519 556805359.6 978712915.1 1137867916 176225741.7 1051131762 381652288.1 542204364.1 375588959.9 262858182.5 1751968801 425352278.6 831644844.7 485960034.2 1119790227 729732992.4 313180635.5 966668867.7 1394549452 983539568.9 1235296379 694998972.7 711765055.5 1270083486 1240691003 585053423.7 835269475.1 609401747.8 726330119.9 1022503901 985256154.8 296505019.8 2505709.387 483534370.2 1497973239 655096586.3 439703375.4 1019121038 843112557.2 1232857090 37683542.73 267712.9677 352189.344 228929.6634 239488.4604 227137.5432 Creatine2 113037.3405 127473858.2 155011321 198225801.1 119507682.2 140928646.4 70513548.9 122972295.6 128323708.1 72410651.46 387249304.4 205389186.7 133264362.9 66095526.71 99595278.71 266773055.9 499042227.2 138036395.2 99193055.15 99062300.63 317219002.9 248086621.5 205648091.7 287493626.6 71577339.96 178400987.4 209281756 58838506.32 125853260.8 279741626.8 263802058.4 388885494.4 132729664.6 84745964.83 238864192.5 153876783.9 274912498.1 70720227.18 146658011 224856578.2 308272313.6 42269483.6 110351645.4 243291873.8 153675624 119392076 178786929.2 102875895.4 174581810.9 207149576.7 78101032 128644332.1 227971247.6 291381823.4 93675027.02 365844218.9 400939981.7 132540616.8 204845198.6 186361533.1 259575258.8 234244587 274424150.8 122918870.4 171241984 60391617.11 198299100.6 276350769.2 205245977.9 219321182.1 56610618.32 162832296.4 192824493.2 168271447.4 71198797.98 183240816.2 141750266.9 130911971.8 163102331.6 54528147.81 134617660.8 146597133.8 176410697.9 132904257.9 132506087.9 60955163.44 66967570.23 205890565.1 43335350.53 41940769.82 60014492.85 149102148.5 49358841.26 161682193.2 180457714.2 1581205.763 135770.8531 135952096.7 180229690.4 162860079.6 150070911.6 91498725.02 128807195.2 156076514.3 109709335.1 104266380.9 116697473.4 150571079.8 158055594 113665173.7 137719213.3 34873374.43 56731387.47 67468397.86 217315362.2 160128999.3 175077825.4 129922173.1 69926772.96 88000287.41 190357449.2 87119265.4 183672582.9 42101842.58 168673540.6 92003459.57 208749277.9 77231395.91 157642243.7 94090876.59 157866929.1 60895390.83 140347679.7 180267085.3 33937061.88 229764789.3 87440823.18 133421121.7 67635322.03 40646584.56 276282502.1 73450515.89 151569381.9 69252465.93 227589748.6 95573944.9 57506004.19 147364741.1 189732453.2 154005844.2 178488728.2 178336269.1 104226572.5 223601575.9 218494153.3 121009999.8 105366156.3 95254939.85 103072649.5 170101521.1 183801903.4 51539573.66 246000325 92854420.16 186755232.5 70551014.65 63575619.61 112561441.9 157305534.9 195371461.3 148582673.9 120792.7422 496897.2325 130118.8447 121430.0983 126768.9714 Creatinine 2838722.189 2901753469 3006712352 3134076971 3374339151 2714181504 2984432575 3467036851 3108705000 3050506474 4369563161 2949533331 3652610970 4223917997 3777166820 3478399183 3802279536 4026709499 2824486800 3357137900 3485184303 3034621724 4107885194 3382456021 3919163221 3162467933 3365941415 4240987082 3490298818 3583933793 3592826474 3652451571 3638151485 4368944350 3096682681 3845796768 3823940312 3390602520 3812298563 3652088036 3758701902 3596956608 3961066103 4132918114 3296123008 5144537384 3210372121 3892105294 3266524000 3309186615 3712572955 3233463841 2704695848 3286306279 3552323296 4221231012 4189413558 4158444567 3196200231 3398046020 3729087912 3380097025 3314623294 2990146976 3082366688 3273759394 3046038711 4736770619 2836402430 3159369031 3730331645 3213424348 3351960252 3216991216 3485074713 3272529953 4785305027 3443415224 2959354396 3555102152 2806021681 3929151695 3469086034 3204857201 3784841471 2800580626 3342619752 3369832179 3518087209 4232839626 3105765670 3575147519 3393713583 3191602183 3233862341 3535115.48 1762048.261 2963639835 3119707722 3183272925 2827456725 3933005720 4585831754 3432335354 4459412935 2586145948 3649615285 2709905957 3717679703 4328552076 3705490180 3950328983 3678017481 3794101939 3509668062 3582543786 3413799976 2665106609 3529676577 3370399773 3560866189 3119633582 4076426309 3382845144 3603157154 3543270242 3497441372 3782772894 3408902337 4697242249 3384654632 4010330775 3334757666 3494649847 3266294995 3534913607 4933968073 3128820725 2727585947 3633867310 3455330266 4989959970 3568282921 3614649051 3473850048 3597341894 5230279356 3524635217 3192026243 3401058056 3670097314 4083425514 3683515822 3529374674 3664841407 3466339502 3596267458 4860984512 3163438320 3404219688 2766889975 2515679851 17846774.67 2903031581 3251803177 3286850178 3856000087 3960491245 3367042261 3705342091 50108149.13 8361223.142 1869760.165 1361405.569 798714.5319 563739.2375 Curvularide B 130257.8696 3781895.299 3968836.614 3581347.336 9493546.578 8525512.51 2989553.801 21807040.02 3772320.067 2519144.656 4548614.112 5089137.103 8361536.937 11599757.48 11860764.65 5177477.151 4364505.974 21379849.99 3970395.657 7111602.27 8324538.7 8011256.193 16336648.05 7616171.616 18477748.48 4226165.378 4772050.201 6153100.728 6251115.708 9113352.926 7812244.058 10965171.27 10134208.17 8740077.377 6808036.997 4825848.97 7817543.184 5621725.931 5975445.252 9509332.777 8828447.244 7630404.785 8641487.585 8368548.737 4495608.075 10829411.47 9297394.029 8134597.981 5160685.228 5186914.591 10561704.1 5483938.086 4433615.865 13487915.35 8149499.861 22830972.82 17848771.71 4266861.01 8016690.54 6501841.857 16962143.93 9821744.045 13133184.05 7239755.761 7480736.152 9056607.417 7802537.926 14529531.92 12447414.73 12320693 15438007.14 5917573.414 7545052.916 10558484.17 10032171.19 6743542.711 15774776.41 13942142.61 7531460.981 12836361.16 4577246.289 13483983.94 8516564.668 6078489.391 9528474.078 9631302.641 9094124.338 5619017.342 9652944.05 7021278.691 5620018.926 7397391.756 8879366.846 7675068.945 7541401.725 148537.1248 150441.0356 6432051.574 6663850.483 13634383.4 7165586.236 20694061.84 14487283.65 11552351.36 18665842.95 11418462.21 10880475.84 14997869.87 19420887.27 14132387.25 10131824.86 30076168.15 8383323.882 10778006.25 8670723.845 10682398.64 9423686.799 26642742.02 19986065.98 14737142.01 32157057.31 17697814.48 16910420.22 17352486.73 12171718.3 18673907.29 27676037.03 14319156.57 26323533.25 12129846.55 15398193.03 24230851.04 10076434.37 10048742.61 35815919.85 12776663.58 18748241.3 9176013.042 29010622.03 20867280.49 14920321.34 21544324.57 14102546.44 20931924.88 14518381.68 10716535.07 6182327.728 13537008.66 18319228.43 12028956.86 12091967.03 24386305.33 13668979.31 16070758.56 15283819.24 20275805.77 12577373.52 32397240.89 23587831.53 26949483.35 16517548.74 32045960.14 16403698.55 23459267.07 13609710.67 23716252.12 23716251.87 14155057.5 13257871.42 13920022.79 10049962.63 167350.0544 137124.399 128517.9132 154145.3489 136546.3055 Cyclo-(2-hydroxy-Pro-Gly) 134022.588 58976464.5 17373787.73 16381562.31 64539926.01 56345194.45 81012753.12 74012020.17 87572731.18 81889191.23 81897605.66 62192727.24 80424000.75 80011519.26 82968439.34 75888261.04 93337792.04 74607451.82 73740132.51 117501837.1 93289362.79 90185899.19 88018610.43 78171855.74 92941893.87 20266699.87 18892421.68 90726154.1 92994192.3 80787573.49 96833490.43 89648057.95 92626383.77 89340632.6 88600283.2 77388935 90749733.68 72955219.78 88046992.14 90874175.86 84850640.44 87071589.11 92273798.52 77313988.12 77708215.12 69257653.03 87716468.28 96623552.02 21361651.87 19917009.19 94049456.15 115947562.5 55715133.66 81200559.48 104550470.9 101699649.5 92877360.65 62012515.27 78982028.3 78408442.76 79174216.49 77586816.29 82022834.84 77669905.72 88729717.89 102768845.2 81750515.11 96309310.51 90030139.32 78811214.52 101368096.6 23534901.5 23263458.95 61420187.72 101822217.7 108372905.5 102503122.8 98027479.08 71549880.49 90348005.5 84626753.22 93982959.91 92299293.96 102465754.3 86234114.93 104551621.6 78789069.63 100259223 99539628.08 102843621.2 108401310.1 86966759.21 77582386.37 25079853.45 22003180.99 96102.56777 113505.3586 22071729.01 20142361.95 110207713.7 93458991.91 103071257.5 121460298.4 91093211.07 77725808.52 78104287.12 89139675.45 86638826.31 84607006.26 100262626.9 67744110.05 102549784.9 82265887.82 81275309.8 119574740 26570854.99 21977754.34 83531468.27 103058891.9 91464250.07 98369427.24 80173227.35 85985094.21 82673683.66 107493096.2 89925678.45 101364610.7 108852874.4 92178426.74 100672915.8 91548196.08 85894857.55 26778155.64 24019111.74 113558238.4 117596335.1 113088610.8 124697017.3 109829572 108609190.9 120133818.8 117753642.8 123532592.7 118616292.6 106314113.8 90797332.6 136417173.4 76986334.62 93145416.31 26690667.43 25629224.17 112748387.1 80428669.76 101511026.8 107584916.4 84156219.19 84068365.65 104038909 99168922.9 116995731.3 131477396.8 114176427 109453457.5 100696509.3 100884640.7 81682889.68 91506832.52 79595435.96 29696354.87 27869932.97 102540408.4 109717.6627 113091.3225 128686.4792 103489.2964 100740.5689 Cyclo-(N-MeVal-N-MeAla) 116662.7913 175071.948 132078.0827 159502.8043 234125.4112 518876.0846 913306.8941 621278.7459 328803.0909 733096.8187 280148.3278 585225.9985 548333.4541 661471.4488 638628.8445 503744.516 306987.372 888401.1141 921907.2364 566848.2469 1294585.555 733495.9748 961493.8545 613111.755 729859.354 371912.9398 326744.2285 556335.4734 160153.2611 1302761.414 657616.5063 1521279.841 851479.4214 705212.2012 726080.1654 588555.1252 2652908.574 1425703.188 715291.0695 1900158.113 595055.0237 995477.6298 738928.1981 652208.0363 1201798.405 1258170.748 717854.4401 1777854.438 847677.7908 572365.4791 1129472.702 876720.2806 658197.0233 549743.447 251768.1142 1025703.33 847775.956 1086704.559 857378.337 646857.088 1275500.68 744134.312 661538.3998 1472949.187 1027767.054 2589353.036 981002.1843 943108.7567 300301.4035 2814382.773 1227961.674 2910616.348 1896602.417 1032653.928 495594.6815 1149371.144 925843.6138 940360.7489 1441645.593 1100957.449 1050879.548 1465576.461 1268876.447 1620591.049 1728230.948 612444.7831 1070417.966 2332770.713 2158103.205 857136.0201 419881.7634 693705.6976 805266.4446 1065859.056 2846873.746 111679.5345 152989.9926 128768.2796 128273.877 114693.172 109320.5237 162935.2785 140840.6851 123935.8524 105221.6943 156608.3183 233159.28 623806.0379 131199.1866 121674.1508 180644.6969 139618.1069 130266.1225 106344.1294 181473.6433 150668.7236 142328.8992 173826.101 114780.1084 120537.9881 314138.3676 129544.1824 138876.9204 643880.5684 116580.5987 546363.868 115716.5237 386608.2759 122145.9556 122337.0812 651862.8681 182962.0604 176174.483 153908.4317 187860.1854 102121.7244 123128.2897 858142.5911 135765.0121 129235.1977 132682.6347 166534.229 118571.8942 152270.7453 127975.2302 1106879.723 127892.4319 126480.7427 132674.6024 140653.651 164598.1374 134511.2559 121034.9151 162190.7551 129766.6752 117247.3551 371082.4165 146868.5972 142017.6128 143530.5403 123140.1784 128998.592 179544.0988 179636.5791 145359.3048 129908.764 460101.6192 130529.5262 162975.4912 213395.3929 133083.4377 209915.0268 135811.173 127990.0493 108734.6836 120696.4007 Cyclo(D)-Pro-(D)-Leu 964570.1601 3971315.484 2711095.393 6072543.169 5359778.375 2364442.051 592263.184 10866673.98 968150.828 2706861.928 2562361.615 3606443.043 6525740.685 1089312.354 1136545.842 5493739.952 3802409.196 8114486.965 1304024.004 6047744.753 2155880.794 9732761.067 2653613.484 8584249.426 3068542.209 2675583.288 5800492.609 2178280.771 829628.6454 1599164.973 4918408.004 2313939.561 10556281.27 2030028.797 8059370.027 1800027.744 1820432.292 5798606.702 1840847.056 5943536.367 2809043.499 1026694.74 2340077.134 2744740.142 2490404.915 1455787.992 883664.3789 4357720.238 2875329.464 5267058.432 3089752.193 5573705.196 889781.4248 5638510.51 1333598.702 3846007.415 2782144.31 3416133.65 1755803.639 1469920.233 3655362.273 1252809.274 9489771.217 2411170.582 4792970.758 2706315.622 1498620.881 17197801.22 4266442.573 2127117.968 5873109.146 4970577.824 6430932.499 2132235.633 1826876.57 16841477.13 2502532.339 17889413.48 4847935.046 8200952.062 6789497.1 2034905.674 3349491.773 2680783.113 4782580.911 4566587.517 901508.2458 24188775.69 5009904.671 4316693.532 1754286.233 3987947.781 1194282.062 5088508.877 8623107.203 167358.1943 1006510.034 3189107.839 5565522.211 4949722.551 1088613.754 2816960.471 1271272.678 848391.8335 3174555.418 1402371.344 5167688.878 8773670.44 6892102.601 4319984.81 4966229.52 6916426.569 2915588.464 471106.6998 6980575.885 5159599.564 8641694.965 12336122.87 6261446.909 1884589.65 3047714.02 2176979.71 10114381.94 2786117.757 5495930.943 2449662.535 5054013.385 5095417.658 4140088.546 1926916.682 10880822.92 5987539.245 3389028.006 6938826.503 1354535.489 4903835.715 1967774.054 3999528.518 9425184.416 2377732.66 1146681.917 1483372.953 7154196.984 6800852.073 2720434.798 3157140.117 12093843.02 975690.3746 2777541.241 4349887.639 7789488.087 3263178.903 4835747.763 2026917.183 8780554.545 4798859.592 3754716.361 9647008.79 1427148.469 3405170.573 1544983.225 5155749.586 1237860.979 4378138 7571499.221 2603361.651 1648601.769 1843653.852 3811863.437 6794038.358 6339626.568 1044320.403 905543.1619 864683.4443 715708.5305 672264.8148 Cymoxanil 223381.756 2006666.711 1013257.709 4151120.892 617596.2574 2398022.175 600330.5881 4970967.854 687597.366 685897.4201 5241318.812 659162.5235 711953.4913 682298.6401 662038.4776 759871.4466 2193079.183 1753693.903 734045.6424 3557934.394 717062.5587 3336164.931 12305716.6 4836867.013 3969483.965 971439.9166 4209538.886 672180.9531 654191.8402 660382.9203 2081230.869 660633.7458 9156159.132 7275851.81 936004.1692 606144.3541 995524.0805 6790942.776 672050.123 2504262.656 901164.9609 3198310.565 639067.3603 3860858.835 609595.9977 772852.4069 685395.2085 710984.4451 702265.1604 3637844.538 653870.9296 697589.1583 637964.4538 6892386.979 675465.7679 2235953.196 695562.3811 1772190.361 618771.2926 695196.2431 1905672.04 604962.9366 3887103.01 662378.4882 672308.6445 701907.3631 674928.4959 5166989.44 4285853.18 698709.3573 2368290.451 1031070.353 4343221.342 575563.2902 584577.5848 4556458.594 957629.4165 5101271.097 649964.2225 662460.8543 1934107.955 655729.5333 692136.2843 2424682.607 668716.7262 1152018.658 585290.951 2923544.199 2148228.208 603478.8483 1316428.029 555455.3666 691577.902 1612816.786 5596966.859 237746.7885 225668.0711 1454437.7 3949068.761 5523597.268 578495.3339 603164.2756 3271688.913 592088.3516 1272340.122 494464.7697 4868789.415 639095.2649 621913.5456 3078103.861 1644370.52 9962016.121 601649.3806 1675659.079 2368270.635 1770699.87 5131314.572 13458489.53 2136325.862 605316.6275 588409.0658 1262165.626 1739411.146 790097.4366 11962593.12 955808.0374 1350387.393 1836869.978 12753683.01 540826.2167 1975052.099 1800472.156 2694043.161 7081848.676 418597.2162 558151.4486 978280.9473 846429.8377 4773520.769 3920929.308 423021.0071 516397.1887 8154422.358 7672430.635 2336793.534 1120470.865 498843.576 43252265.7 2946555.375 3642555.391 9099303.312 754065.7649 4945499.352 2222608.033 13859195 2463166.344 402125.7817 2853219.88 564349.688 424877.5381 371616.6436 10137616.28 3819322.481 4903007.617 7495763.559 2819970.52 444741.5648 2314402.329 1628712.328 5724902.842 9205758.733 246030.04 218028.0439 221149.2988 231445.2509 261933.0927 D-Arginine 2840055.577 619748694.7 379288492.9 461130181.4 394551430.7 320865311.1 277998570.1 445696677.3 542162319.7 836599386.1 866006963.4 465229935.1 605579087.5 436496980.6 554503194.9 746756617 474548213 666039559 439675303.9 918206676.5 868812255.6 907302950.2 505216208.4 723358672.3 592736577.7 393413642.4 502364716.2 459685860.9 1005335315 606481622 699514140.1 576663037.1 858141568.7 893535786.6 839897613.4 763708292.1 795454131.4 531610327.3 768002149.5 881094655.1 498150374.2 513554236.7 790079193.5 474744096.4 802714167.9 436586003.8 699581075.1 903158760.8 397715135.8 513571483 862455013.1 771179483.5 600259558.3 612773745.7 667690227.2 621026886.6 548927471.2 609801164.4 806247274.8 921731555 661168178.3 508537521.4 398915799.9 572844630.5 683823606.6 316617084.1 748715237.8 500889497.9 810775537.6 467432738.4 641229804.9 468353904.9 630538565.6 511170665.8 758970541.9 979036852.4 983140513.9 1013443249 711051075.6 436452123.2 559484845.7 656538781.6 583819852.7 845921975.1 796970512 754754166.3 449132913.3 1020899690 775246747 691898912 534163099 699911011.3 660112608.7 502604045.1 581930518.4 2464577.903 268476.7956 433024985.3 541768612.9 954680054.4 723982279.3 739767854.3 943323837.2 1010699255 682810325.4 281148574.3 637736731.2 840569012.7 692004939.9 1026397596 776856386.4 742700621.8 492309663.9 550147411.9 841607959.8 498059122 544723962.3 615493468.3 856440581.9 666990763.4 644730389 699570447.5 845530797.7 507251332.5 696369294.7 591332273.6 972095167.5 823746558.7 550096272 770099822.3 459788130.1 494221669.8 537404918.2 646892294.7 975933344.7 963365072.3 1018134343 801470375.2 630330732.2 807851834.8 1093522515 978524033.1 1145634370 917042223.8 887961265.2 1071773519 760233521.4 647387271 657347374.4 550466922.2 677512503.3 662633029.4 898987068 664065009.6 1026571847 760277760.6 683795089.5 763398161.6 934765281 931652661 928234567.5 605659978.7 937580182 576926023.4 817440615.3 280687773.3 698903825.2 902166851.6 577927658.6 735808071 1229669669 348766.9038 285711.1651 279648.0334 301669.4176 280424.287 D-Asparagine 110130.3494 180487355 13851240.85 17711437.91 182897241.8 175503447.6 174111910.1 194032541.8 186468863.9 188007223.1 275999784.7 228358332.9 222277615.3 258719324.6 237131270.8 280140039.3 221876173.6 232833225.7 144221109.4 309718497.7 358349026.7 334209752.1 288790416.2 226262131.1 290990339 14376474.1 18616299.4 206811099.1 188049773.5 203272367.5 394385246.4 218898362.9 313496011.8 292868473.4 250409647.9 274136204.3 336439598.1 175764847 211120826.2 279399438.8 222633151.4 187251661.1 256293557.3 233390406 227153729.1 208289900.5 287785769.1 318247534.6 13446064.82 18833457.95 256619672.4 281683661.8 182139588 227553679 211886683.7 337242171.5 298955699 217930228.3 238356473.9 251653680.5 242086865.7 232961573.9 252727325.9 200156408.4 303168872.7 320332732.8 243425662.9 300705568 272373405.3 232525737.1 198467944.9 15842912.41 22711223.92 202083981.2 224248945.2 280235861.3 365796407.9 282408557.9 205766608 257065049.7 227732070.4 392374546.8 263307553.5 344146935 342933580.3 218585557.8 226454680.6 261969154.4 320516345.4 282110177.4 258935753.3 298696010.5 242607057.1 17770963.51 22272164.05 648554.5199 133509.7343 15609392.76 20010918.31 379446046.8 324072901.8 300938570.2 487613942.3 288980043.4 414704370.4 255628686.7 326417965.8 261508912.3 288664971.6 332170785.8 267399555.7 448881165.8 288271282.5 240880588.6 382183058.1 21932329.65 22174930.12 196378408.2 347899023.8 252194294 278780813.4 272396898 315447886.3 255910467.3 372389651.7 310284796.4 399777843.6 364546251.6 316382956 382697498.3 278209273.9 228489959 22244857.36 27283016.04 400768154.2 583457801.8 446042182.8 362286334.8 312577213.5 352705475.5 518483592.9 382208817.2 491316444.9 285608896.4 359460581.3 315258554.7 349133335.8 261322739.4 243161980.6 22493225.31 31658695.48 491121523.1 267022902.1 384636647.6 340255312.8 370106271.5 268528435.2 396284711.3 482323727 331875683.5 422037423.1 411598410.8 431662996.3 311643523.4 324739381.5 250580290.8 426329295.6 258953108.3 27273995.03 32971135.4 372651612.5 122374.2873 115418.6013 108842.9119 146652.6754 116500.3339 D-Aspartate 362079.6249 18767255.8 8202968.072 11185370.72 15798484.81 15627033.7 6262686.667 16532331.48 12950870.23 10736759.63 7427116.876 11452084.16 14904918.11 10892810.23 11858621.32 25482595.48 20222019.27 24251012.06 10262901.72 12663197.52 32919182.61 10876630.15 17085314.09 15348664.24 10980616.72 9222258.146 9542633.543 15257279.61 8637381.027 12521527.81 23513434.65 12407560.75 14938287.68 14667081.39 24908303.63 18760667.35 14526073.48 16171099.46 14710678.91 15982909.1 26478461.58 11483020.11 13085588.77 18414719.29 8878096.854 15298206.54 9522420.979 9868253.178 9067689.048 11293750.08 17276747.56 16538865.68 16947708.57 13919514.76 7020292.77 13927381.83 16986171.95 14578033.87 10374204.64 16176277.15 14446967.46 8548975.071 17625816.46 11314185.44 17975757.14 9379127.249 15564079.91 16107257.5 15130504.7 16435294.76 12622414.47 10109397.23 13394592.7 14674703.17 20075539.3 14138603.99 24750422.01 25338624.37 18711065.04 21801609.64 13527781.38 16580208.23 7977569.351 68695949.58 24614780.76 8266657.602 8817361.758 13847940.66 12418620.19 13460299.71 12400452.82 9172193.893 19368963.23 9911370.393 11846471.94 16667239.54 504430.0028 7729490.603 10622178.06 24062653.92 15706110.99 16443951.03 18334336.4 15160350.32 20592735.62 33467333.24 17854792.92 8812913.86 11972250.2 11786313.4 21198879.24 19172376.21 11912296.06 13035186.29 24737981.44 9762787.848 11288483.38 21363594.48 7803397.321 18288284.89 9720421.451 23738402.32 23656781.29 12533139.84 17505871.47 10350250.7 15024373.55 16771559.68 16305281.27 15119053.61 12686472.41 11100569.78 8830309.084 12135158.84 12394320.95 13404621.3 13998001.02 26035586.77 13335817.01 12412292.96 9474238.252 12358796.89 14672568.87 9697706.392 15048530.07 9982312.35 24525843.17 23643314.9 15944626.23 9089407.968 11857767.83 24195592.95 29227861.48 19549451.71 19011449.94 13009264.42 18742879.99 18030202.05 20194312.49 13706090.88 109145509.8 18144362.61 17978451.03 20977979.61 22828252.83 17180292.6 13943035.81 17765783.15 11538576.51 14115431.42 37529984.42 470121.0369 222324.4337 185675.5296 186967.7626 221578.4554 D-Glutamate 170138.9309 352111246.1 1140080985 1382647292 279040290.5 540276999.5 184173468.4 475523320 361355982.2 255436782.6 214956832.4 371826880.7 363023503.4 272856687 218153696.1 383368834.4 1063918306 642844349.7 457931865 215857454 207519849.7 199483808.2 227188193 533906378.1 178784423 1085232900 1220267942 207722650.7 175285749.8 341324403.3 524584789.1 447505203.8 377328122.2 240542860.2 600047802.5 386410820.2 207456886 338982066.1 328339656.1 255437918.2 411080017.3 152425116.2 295412623.2 279915666.3 312232382.3 653046945.1 274860133.8 194057488.4 953168591.5 1237017184 310558895.4 401185143.2 735800824.8 254658605.3 223399065.4 376161175.8 502315313.1 604397523.2 177540321 561837997.7 370197612.6 170822055.3 353597392.3 263743148.5 283598745.3 308734334.6 323201359.4 467102831.2 198659971.7 514326832.1 308500702.5 936378837.6 1079344491 236109363.9 474567212.6 239439589.3 351948341 482032026.2 467246079.3 248644516.7 327792186.4 187273839.4 308752600.7 704536498.3 421016692.8 182702330.6 117833532.8 314841066.2 185714788.9 268699558.8 236888550.5 426622740.5 198102923.5 926467173.2 844585499.3 15432186.68 2463134.412 847435186.5 893663448.1 460671329.4 234349899.7 533290463.5 277839765.9 246044055.7 174913722.4 385297729.4 339363415.7 255752362.6 256878257 293042991.4 428678542.7 206794680.5 224804800.9 245794227.3 281061779.9 879602545.6 835369999.6 228581082.5 85914276.78 223561512.7 202282176.9 426029198.3 272018350.5 169286104.6 662430757.6 119405984.5 140087020.2 204894685.2 259468155.1 213143660.7 266978315.5 248038930.4 900055069.1 804364492.8 129346120 442425831.2 239410343.9 390418460 147549636.7 130992296.3 152643929.9 178101544.1 340339484.9 293878577.6 408446980.9 185470211.1 307346828.9 482045753.5 280950305.3 819009580.1 883154684.4 409367823.7 470370359.2 377144479.9 288706466.5 151731047.4 283726630.6 219219211 413973519.6 156505048 788625899.6 271980562.1 320973085.5 209433088.9 346766135.3 222620954.3 149186666.3 327501968.3 855265874 888977031.3 734658773.1 4111063.955 1280482.219 715499.0769 294203.9517 170339.2193 D-Ornithine 129157.1113 447141.139 324773.7491 615217.2864 364920.186 312615.9371 322136.7202 892911.799 677464.6895 364761.9006 1180081.202 427079.5329 485888.6466 576744.6398 947821.4205 823174.3031 620477.6087 813917.7258 486739.2666 889216.6081 1321677.983 929763.7237 792212.5701 789684.5975 1094464.908 388575.3553 591177.7482 504424.999 592533.7799 398557.5778 1251237.219 663516.6717 1675226.686 1239445.018 1001636.581 640426.5266 539474.6928 760140.9476 539848.5812 566863.9786 940861.6165 584848.0618 508392.8248 734993.5021 633629.316 492737.1399 794530.6394 877199.4171 393879.617 664085.5393 834599.1249 1325428.815 424449.0719 1441169.679 740329.9665 1346050.695 1320187.938 485069.2867 854984.6784 724807.6143 1068620.682 736624.6801 807765.1172 766864.3714 748259.7525 686145.4968 739048.542 755063.7898 644405.8575 970532.7519 1231830.839 494672.6193 697782.9055 563584.2482 894328.289 913628.3023 727222.9753 902778.2642 553399.5781 797797.9694 880992.8428 812859.5538 570138.5933 801961.2235 616334.9031 536670.1167 684713.6151 803495.9517 1002575.184 890811.3469 607212.6025 1383589.853 476932.1137 521271.1534 606507.5644 147618.6698 118769.2512 394147.2618 682845.9497 968150.9687 734367.443 884292.2562 1156553.024 868272.7708 935286.5742 689160.803 1534730.46 858890.7569 681103.9489 734325.044 725635.2804 824645.721 593984.0256 774924.5475 783587.7476 498992.7609 781386.5322 771698.1356 1104690.888 637034.1357 1102939.84 419207.603 926771.8158 633410.4861 743949.4892 869951.7357 840160.0248 939774.2435 962871.4932 1103620.947 800984.5921 361550.8276 551178.4075 825801.0503 1184453.184 2260749.655 1030337.725 1160053.569 508352.7893 1082338.765 1175589.735 805927.5247 1972531.412 1658878.241 519558.3863 1278208.868 1961342.269 610832.7302 838222.0541 499483.7826 871660.8285 1082849.468 683703.8894 584039.9547 1396110.123 1112313.017 650549.3532 984347.2591 1383467.93 656314.9755 838197.7253 914587.3332 853755.7653 798042.2539 969886.6149 597644.0038 858340.4207 883062.3385 704603.7802 934298.5047 1559886.208 110338.1186 118829.2719 122949.9599 116376.2865 111341.3416 D-Pipecolicacid1 3358061.801 103307091.3 106641882.7 103078874.9 117165786.2 148629302 121187363.3 136803092.9 159847737.5 141219219.5 235408589.3 146314466.2 153525173.6 196120914.1 133370503.4 216688750.1 345571883 291895196.1 168767627.4 276181583.2 157174868.6 173444054.8 165141867.7 170905881.2 173886699.3 218823298.4 108047274.9 100216504.6 208375690.2 170579743.8 453950305.8 207199834.7 171229214.5 190536272.7 362606553.4 161539172.3 166061390.3 145209934.7 164555449.4 242467843.1 166350212.2 131311098.9 168412913.4 182868468.3 165149748.8 179997079.3 153824086.1 194452170.9 106204157.8 111597292.3 161128479.6 161461589.6 206611354.1 166861730.1 147715601.6 201066724.2 198640173.1 162984216.5 172061590.9 170482669.2 172176195.8 200699437.5 148274491.4 164689907.8 183129767.7 144012890.6 221637572.6 202900961.7 209568039.9 177489957.4 153730895.2 278165031.7 136121650 146249774.9 150341221.5 181285411 236285484.3 176990046 174878018.4 125516506 144528674.3 123154993.3 189959547.4 248513900.5 216055650.8 143162948.4 146026036.6 196917381.5 137595806.3 149772331.9 187749051.4 313543960.6 157517119.5 136137991.8 126156087.7 2479845.893 665524.4972 114593930.3 241154876 217375396.5 154419337.2 211238475.5 195913251.8 181741112.4 158402717.5 354896866.8 183474993.7 174944275.8 176621142.3 160550874.1 181202207.2 188529665.8 156536509.1 219429891.2 238990934.9 133583759.9 117425477 242843661.5 161505501.4 201467246.1 166937424.3 164717791.4 184821567.6 118387816.6 219413736.9 162319217.7 164270135.3 152594913.8 180461764.4 176816203.6 214618093.8 135075437.8 144401131 139306933.5 199014700.4 175208229.9 186906389.9 233561116.7 190354800.6 161883572 207788655.1 179037123.4 332526042.9 187427197 230749878.1 149360417.9 144054096.5 188079387.1 183803943.6 143410577.6 142418319.4 231464112.5 198588997 208339260.4 211992552.5 156888078.5 191785632.7 188427792.9 183845150.7 179214410 196061275.7 312650242.4 263567572 175563939.9 264773055.8 147423119.2 137329730.5 166011306 151583785.8 159983981.1 201946789.6 1025582.442 340611.377 273971.6922 295546.0827 274732.1893 D-Pipecolicacid2 4610696.733 116193779.4 78537637.95 85085820.62 37054618.69 58728643.98 42083209.16 25857009.44 73302494.87 51783347.27 122484237.2 105510467.8 34688737.09 50155239.49 77495654.7 91088574.29 67746566.66 89468303.3 49173300.34 136874937.4 74186897.8 61629814.77 47603287.8 52633472.79 50977291.27 113112250.2 141707086.2 37145209.56 50399294.6 56273578.36 62952960.74 73507108.18 53811231.8 40725857.32 183787708.1 105572905 419583970.5 57813831.19 53723922.04 69618760.73 175959463.3 43367361.34 45111457.26 59126264.63 23020215.72 136552306.1 53040071.63 103799219 98966364.38 132258609 171509631.5 239033730.8 85221762.84 78701983.78 32273701.13 50678400.6 54810561.71 99355524.27 118457097.9 59113696.35 56251727.85 42309984.75 45048283.88 42983703.11 60857535.26 108165547.6 41750365.25 124779293.3 49594394.8 57012135.04 66836533.12 78095748.76 96754766.3 46697527.48 60750192.15 56900118.07 38313120.96 245461985.8 53806450.6 41765674.95 170589084 51782154.05 47280177.21 43468447.33 51914014.26 41685831.39 75854536.54 71359849 66196661.17 159001458.8 161097402.5 66695686.01 85402998.06 75372816.94 91927048.56 1398656.816 1170378.959 66692133.36 89721346.66 72640599.97 505659243.9 33225889.17 56288755.84 71233462.9 290350777.9 74912849.96 84670366.25 50471186.46 75940714.65 300287703.4 61592039.15 55148033.82 57183825.49 111496191.1 132464927.3 77494532.78 88717627.13 116225055.8 60512282.91 62029199.43 71325972.91 30749458.82 124132581.8 27996753.09 60466897.35 47295431.01 56450687.19 34659117.9 57655795.68 126061121.3 29631909.26 26728813.8 87945053.64 86920349.37 103056495.2 53141869.97 151318354.5 96223875.21 44314055.72 96086251.29 142208941.1 47224347.96 111199590.3 34350649.45 65384211.7 116922094.5 118289852.4 68766917.04 88876037.78 79025821.27 98152963.88 215608271.7 43263511.18 164183644 66612124.87 49522726.95 70231666 144638742 109362422.1 90897163.39 63481957.56 65399691.51 45268213.14 105777319.9 72289640.86 70707939.94 65562162.05 41868867.42 91294372.21 105940116.7 108537173.2 1470245.826 1115802.693 540827.6719 667482.9163 658887.8127 D-Pipecolicacid3 1004655.807 58272143.09 57600825.28 64428790.13 45137337.51 21002296.28 35365357.25 120475987.2 67151477.23 4395123.94 77272227.85 33273357.95 58269649.21 42740932.03 40582197.54 68556731.02 56779660.06 174145464.4 31280522.26 48393580.65 113272711.8 84587022.78 225110094.5 68786110.21 123166297.1 60974489.93 72221307.47 45505557.4 55325864.84 60824887.12 89407265.76 42136963.45 60675537.93 83840387.1 69056230.28 103041800.7 94745402.76 63463795.92 82133978.8 88675691.1 87864541.39 50017293.63 72518799.29 72764214.38 64067708.15 106051581.8 81256673.74 64235202.98 63745105.11 70276075.98 63603743.91 59826386.32 14531521.68 65778174.41 36608337.82 67297769.56 82784326.83 21681617.6 73306834.67 108869445 66936494.98 66415245.77 76639387.69 73237542.99 104692551.8 69716944.77 56393214.45 117776818 50046625.68 42021579.93 39105697.38 62850625.49 74502920.47 62635829.73 56549767.73 68167639.76 43145111.18 62620872.59 61901709.87 74760114.08 65316924.05 81327893.67 71823334.03 52387072.81 89238402.76 30390096.7 62622304.18 47046839.5 53020755.31 34659572.89 52597311.99 66189580.28 35995461.02 61820286.08 69648815.77 2247465.87 1257339.75 54312934.87 63142814.99 192307582.2 87860774.49 126917224 87207884.89 30652636.32 87080069.47 52374983.93 90024558.05 64431703.75 135298999 82559080.29 72733269.98 133142899.1 67288863.9 56151889.81 98555207.61 70470105.51 62091468.11 82252658.61 108807116.1 32593219.52 67923680.78 54658653.04 148121112.8 44664846.05 67002476.99 85406996.31 67368966.67 60354673.2 125235689.2 129498864.7 37991008.33 107524712 60740901.74 66283293.64 112544656.9 70740376.23 82301622.68 66610088.15 72721110.24 91222181.66 74451155.47 128416699.3 128905729 39164403.39 48654129.71 56643002.81 97583752.19 67138624.93 91655686.97 69195669.34 72905638.59 168185451.7 2571420.363 87649054.77 44949854.93 82053646.08 68178419.68 98617686.65 136853968.4 67176371.05 50978070.49 111926969.1 85503720.24 86357344.54 74180509.45 44654350.89 83008736.03 3787025.125 65434459.4 77784948.41 84333149.35 385419.1156 577249.6023 479666.4687 125073.1879 100271.5568 Decanoylcarnitine 131739.902 29234937.5 18291562.44 18620510.65 59775050.46 40903618.37 36695717.94 100686797.3 37287484.63 91992644.18 39329203.18 67131338.29 74343924.86 71204873.73 205690820.3 31545401.79 25763829.17 56469301.79 41261088.46 112416060.9 98946482.27 55947978.55 108733290.4 81865918.77 178077858.5 19362587.19 21284834.42 375054323.1 72703307.59 67763258.28 37252595.83 61688924.07 71428490.67 103480057.1 67558212.78 55997331.67 158321310.1 67743851.93 74174502.2 233055795.6 106824678.8 75281383.9 80695873.41 68789308.7 511160.0545 72402810.93 81905611.91 48406035.38 22090344.54 22585245.59 80044157.74 23736565.96 41056200.41 173197074.5 121700949.3 124347610.9 122330631 87523365.27 96989850.94 51730004.13 151527830.8 169726508.3 161518800.1 135732573.3 61740879.88 149200602.5 63621928.4 81930561.21 260796945.7 51336848.85 233947370 26830950.47 34043828.18 132545831.1 49549992.77 91127796.64 172821671.9 26500427.88 60144452.75 127261097.4 79436487.94 122444623.5 56579481.62 26526046.4 50129317.85 163009936.7 141272487.4 172217272.6 219788557.2 84053037 185217526.2 93281065.56 76902895.24 34182437.4 32938533.92 150227.1328 152152.7057 27964374.26 28428682.69 66186161.42 116350875.8 216297013.9 94745996.71 158747691.2 53686054.17 156550880.5 74403709.15 88094578.04 106700227.3 199399325.2 116563616.4 136111515.4 140090596 148654811.1 32306796.81 47105140.63 40274601.31 147138309.1 98205047.51 264741173.5 100498223.2 242929277.9 232703214.2 251119663.7 68562122.27 123248671 112413575.2 396198069.5 191794413.5 61862737.94 197817596.8 132423969.7 45484488 44058871.41 153118251.3 60277766.27 128006590.9 121404272.8 345890463.7 90490354.69 335589616.7 164222709.6 143139300.8 153500465.1 132713585.9 92194922.49 78068046.06 166187876 145472497.5 51435697.04 54004129.44 194108800.5 119949369.7 83097316.39 310280047.3 94894350.62 111864926.8 184920798.3 70399353.5 543355954 373920750 134780283.6 134166366.5 478988647.8 90360323.8 153891719.3 487202943.2 155741222.3 57014883.22 61041117.12 74954143.28 169254.1099 138684.5567 129980.149 155899.1655 138099.8858 Dehydrofusaric acid 146226.5643 3290179.153 1969855.821 1587995.782 5588198.097 4079774.828 4479732.314 5977087.765 6361762.69 2037366.144 9614792.275 2911354.523 4595897.077 1985926.786 3505805.244 4757945.074 11396311.64 7165357.605 4788911.534 5894586.919 3314922.809 5316585.855 6221024.273 7802081.51 5129830.999 2871045.868 2762365.469 3651095.586 4199316.265 6148337.365 7003521.97 12178281.7 6366037.313 4575503.626 7293077.862 3694104.373 3427058.735 6683716.787 5955081.014 4179712.991 11052962.97 4935357.352 4660384.805 7332740.819 4125087.336 3495676.509 5642791.189 5684144.967 3020774.85 2844892.978 7264484.382 4419211.826 3155620.112 5416709.812 6199924.661 8438873.833 7853941.736 3670526.598 6093892.252 3508035.913 4178327.615 10249386.88 3866775.916 3901338.793 3936195.086 3794243.359 7215080.516 9651167.322 4878270.379 7940283.365 7340264.391 2907593.642 3181524.16 5087827.235 6210386.725 3349491.065 4976680.963 4724521.447 4086049.807 4883029.846 3669348.496 2804346.537 6439644.723 3427524.309 5283211.803 4388516.07 5290449.495 4199311.847 6608434.324 3139216.242 7616105.663 8380960.557 5161429.592 2805343.813 2784175.011 153064.4392 134104.7238 2536774.708 2640434.052 5585224.683 3355352.021 3098816.903 4018149.436 4436416.904 4631366.19 5095620.216 4546677.643 5575703.944 4176284.372 4729119.676 4290918.745 3530286.636 3458251.144 5647686.247 4404766.939 3318200.246 3049753.017 5093443.922 2919830.148 6592102.031 9622573.902 4353042.855 2682687.161 3891678.105 8252023.47 6609591.648 6693751.282 4045407.46 9399490.729 3132094.686 5822118.777 3004031.538 3182427.353 3034550.121 5763228.875 4110783.148 3847010.382 7340471.878 4952598.744 2666611.249 3353591.85 4511857.547 4521288.185 6990127.454 8733058.899 4796224.352 4658335.935 5839191.855 6952472.901 2851115.277 3119595.726 5264561.459 4960312.398 5273729.625 8469680.799 3281291.608 4324954.232 3231509.859 5052052.676 5149375.857 6338290.208 3002824.34 6503746.05 3582309.513 6160622.793 4976928.012 2215936.383 5239708.389 3561855.599 3151036.1 4485799.345 170546.3804 142365.1537 144729.9146 150864.8061 172702.8455 Deoxyguanidinoproclavaminic acid 99202.2954 969908.4999 885724.0234 1214559.983 871985.6905 348845.1469 163544.8601 920912.8631 394176.5316 701173.2103 1440138.704 495277.6804 598161.4991 513137.8665 405331.4821 1262150.697 2527599.973 4658563.606 622255.1626 593354.8717 2138674.951 1065208.555 441044.4606 231676.1506 1841766.49 960088.8653 1305471.431 319171.8518 474627.4702 538921.4649 2484006.544 802879.1519 2422665.814 614687.5556 1105758.129 637252.072 537285.2291 821833.3313 734864.7112 527650.0995 656832.5284 1650707.929 1128366.874 715513.7938 1049090.826 921525.45 764203.8149 2210875.373 986309.9041 1327404.215 1076001.957 282518.6251 193366.363 1242340.294 311185.2197 2300223.419 1360155.858 1179563.913 734213.9837 1177435.528 1819763.196 185774.0718 4340653.456 303825.1978 2075863.268 666959.7656 371915.4553 1297815.613 1191128.039 1149194.263 913031.0659 1190149.435 1698282.285 573463.3332 609219.6946 515075.0985 410374.1112 828487.2133 956569.2408 682159.9231 1187984.633 567097.2677 897671.2728 348020.0333 2921636.171 232731.3652 323217.7989 672593.0102 1343090.523 1005568.787 102370.3341 2341279.008 285465.8383 1225823.949 1621225.031 92142.01515 91551.94008 1061000.98 1462675.223 2270562.998 302669.2279 796029.4749 1563833.498 474853.3217 1176228.984 742374.5141 384098.7366 1604008.297 662658.2008 1406493.513 797126.8038 2531683.098 548516.5322 1446788.874 974986.546 1276022.482 1538052.373 2260071.642 2080900.181 653289.5465 1037070.548 576629.4732 413109.9449 568999.0044 1037715.012 779344.6169 804276.838 851202.5725 379816.7541 884899.7467 1465109.946 177586.3622 1338558.379 1748651.339 1785493.145 2272252.104 1677170.955 408907.272 2019121.388 1144918.749 856844.6702 1695954.746 1118286.298 1506900.467 1781708.808 1170532.474 1138256.67 364899.9385 257449.3816 1363490.528 1847657.436 658554.1977 1032364.949 278779.9017 679516.6885 1029419.292 774818.9702 3809122.939 5445811.933 288755.8967 749152.0582 2973662.29 1508382.428 1110420.879 1080208.33 429816.6564 269331.4605 948909.4656 1486589.966 2075491.532 2234260.685 108706.2735 85587.0702 84672.24176 95422.89971 81145.28436 Dethiobiotin 149077.1514 3175175.605 3620076.033 4028643.499 4197118.063 1316496.095 4253034.853 10796005.85 3438628.919 3789901.699 9308748.557 2905105.075 4399707.093 7649332.8 5209602.927 5250994.694 8222256.885 6736037.665 3695991.108 3805683.144 3157760.45 3845037.61 5933829.272 5254777.994 5185341.472 3868158.586 4181817.429 5479618.212 4183415.435 6602028.989 6974802.324 4423070.03 6169590.665 6983031.728 5537364.858 5873809.075 5432559.05 5955335.955 6203242.417 5405851.679 6104985.13 5105381.29 5826364.983 6913368.703 3763855.917 6894751.912 4134499.968 5238838.492 4163170.614 4403127.462 4539823.057 5249464.372 1768507.215 4171648.52 3374515.114 7573148.667 11237192.34 4716731.017 4474851.469 4308542.746 5744739.31 5401609.984 7361927.455 4322066.741 3850887.959 5459779.053 4265600.515 8245824.694 5455381.432 5817347.32 7490836.258 4600549.144 5258144.675 4542739.394 4414658.105 5885873.579 10030986.43 4091839.668 1879181.715 6203732.326 4065052.736 3790775.008 4158758.894 6008676.929 5319138.129 4950316.683 3493908.338 5304053.567 3894800.264 7575940.9 5095773.686 5487062.915 4521881.034 4443577.475 4692216.874 119097.1362 118601.0827 4018388.588 4548697.246 6228020.865 3611783.816 6938076.998 8344710.524 3905181.621 6145328.008 4023462.569 5128291.842 4153940.047 4113841.35 5925834.951 3929994.555 6721355.333 4939451.357 6046633.732 6845155.441 5010784.538 4931804.642 1936269.128 4607183.934 5846413.025 5377226.627 4225353.218 5905933.688 4144487.195 4618041.078 6019566.011 4958256.474 5444243.897 4459539.866 6255623.281 5128259.65 5643058.708 5079926.214 5139740.729 7239972.445 6547491.242 7731790.333 7531922.666 5405710.047 6286598.581 4978701.779 7237885.394 6362525.414 4325029.952 7175710.993 3734798.273 6184020.919 5633487.118 4555521.71 4800976.727 5623872.055 7113918.701 3902780.834 5716078.587 6504516.629 6604106.672 5146603.55 9614252.243 7241080.706 4431450.326 6129786.008 5447136.065 5913483.616 6592350.271 6729514.307 4221577 4368656.236 6350776.427 5242377.657 5647858.767 5578820.683 124538.4036 132534.6498 127451.9685 128140.438 137433.1191 Diacetone acrylamide 107954.5149 750485.934 182403.7488 133328.6747 960483.3802 119180.6204 675346.5647 6288748.362 254020.7831 122172.8132 686399.3155 124679.7559 830151.8353 1195727.613 302047.512 521367.9399 376227.3462 3932699.015 97160.70873 1853727.208 1191551.603 4384741.685 2224866.388 2741042.441 4361341.855 72970.22246 750014.3171 109111.0619 174399.9135 291703.2395 1269376.526 947606.4939 1899136.608 760207.6694 2873336.882 110484.6203 221022.2286 2451043.1 246247.0414 490421.6851 1083403.304 123423.2265 171726.8975 170759.5088 693994.8438 233758.9558 566108.4024 658378.1314 501972.6913 813162.7865 779446.5884 3653297.916 221574.44 2021608.952 104484.5117 951248.2749 229874.6147 541569.2961 882334.258 2792870.092 1404932.01 432301.4763 3580610.701 1382930.704 1504273.314 131171.1202 402701.3081 3213077.885 510679.6331 106185.652 153871.4869 687458.4804 1320305.145 488915.7722 1792676.509 1633492.905 85718.6695 4246483.437 316193.7424 1298718.293 1656661 476501.8945 897622.437 327564.1532 248233.4075 2784004.781 205797.5157 683976.5735 1147882.816 1179798.806 135135.1127 224457.5774 257393.0741 642734.6248 991328.9956 100058.9563 89208.3599 649538.0865 915621.0073 1978578.058 107024.7987 232258.3078 130119.4658 310246.5724 199572.9535 1118540.781 2439592.931 3533004.96 826021.2165 323039.2827 536561.3462 823234.0549 730066.8288 116452.843 3739611.065 781926.527 981407.3106 342568.7806 4989269.942 516283.4845 1178428.618 875660.9771 786994.1457 651673.8281 1101838.674 5398573.75 126563.1426 645691.4033 2731701.59 107352.3712 448736.3591 433691.8585 583413.6153 955822.8129 149544.5107 811500.3829 451846.2448 354576.1271 4565618.089 979735.2477 417512.9204 521253.3354 1645337.616 804813.8304 644636.4514 887274.1961 337841.9341 126822.5562 1976047.767 542839.1775 836282.7139 985326.4335 251145.5216 670528.8392 741209.0338 1053416.011 144542.1234 321332.4428 587136.3955 290648.7513 131219.8235 2511479.174 1707303.835 1151675.612 767938.5303 1598366.336 2333819.307 97871.92583 480697.0282 925271.4291 1138616.04 90184.73194 95975.22949 84693.97514 92793.15229 99522.46576 Dibutyl sebacate 664464.7419 607844.8373 2072109.389 684089.1858 544677.9502 946331.232 770972.3446 2164121.964 725676.8376 1043528.769 737058.8216 1557718.401 664579.7209 1225134.877 827558.2619 2328642.495 2138660.301 489885.2819 500502.0356 499667.8948 1651226.338 3355022.706 516589.4297 2374278.764 548172.3923 1578131.924 1002455.078 649065.7438 925356.5208 795446.5789 2057357.79 342968.6281 920605.459 453758.6354 2270760.957 2474596.711 1043717.157 766887.808 1800632.103 974843.8288 977798.249 453133.7786 1014535.575 526687.7715 396309.6863 1195220.749 5748376.969 1090910.897 1125062.608 913988.4145 775545.0589 444737.7995 1551138.28 264721.0635 306330.6514 1319027.042 735944.5069 626939.9949 1025213.809 891810.0567 1518584.838 1762066.08 727608.8614 1246850.165 1469705.379 1016298.033 503036.7338 609682.4718 323579.6804 1182769.164 482816.7186 1205000.167 1112571.852 847703.2481 324498.1665 955270.9054 349052.4839 242134.7759 1995190.64 1037679.082 1135363.293 784505.1371 1679841.39 980130.013 1918165.349 793628.2849 536612.1838 2274127.825 1867023.436 432034.328 295020.1957 1198661.969 304653.8039 977157.1827 1066568.872 1147142.202 269057.1148 2019139.279 730503.0432 230624.1514 2060976.792 1437278.489 2729618.059 935778.6559 1001191.189 1119119.747 953666.3114 470669.6459 3268687.294 1821516.473 705077.5526 3417914.452 2834512.697 1201984.762 1767327.565 1107892.197 1231315.367 916280.0626 2839698.307 1201884.245 972128.9853 1610154.856 6306667.053 1009579.964 1369340.133 1311273.353 4546656.441 1397779.307 832160.3778 473996.3526 865562.3293 1055361.515 2149343.329 813304.1773 209164.998 7709469.373 686892.0354 1002339.78 1765820.367 3063892.559 2138861.059 800926.4753 522101.6301 1054182.895 912050.4043 1429249.036 2005860.736 530444.1448 897851.609 1680343.38 892356.0739 3001061.114 3046530.309 1481654.625 1057269.575 4022801.15 1708717.094 767347.1557 132429.3032 145562.397 331223.217 375555.028 1309889.141 1193194.429 827650.3738 1953505.771 1199365.558 1527479.438 3320828.923 1120441.068 1341749.598 268102.5787 140984.513 143589.1677 139203.5804 216950.6841 Diethofencarb 116522.4079 75500.58544 113363.7695 539541.8263 94413.05153 371648.6859 86044.5704 104578.9965 83142.20367 87913.28478 83521.27978 82246.88993 307352.1253 128919760.4 79587.18437 80677.45426 13391445.56 96832.0238 82288.27817 88359.97592 86398.55184 79085.63895 100782.2878 33977907.01 85532.27319 178941.4058 680746.8159 88500.04936 85897.69854 84598.75203 81202.9136 4325480.509 79917.20618 99466.84888 77140.66455 76425.76748 78204.67677 91705.42556 72836.19267 80445.68905 73879.77972 75214.83083 78567.86478 89952.44839 79138.20982 88637750.46 76588.1317 68480.6577 204213.4686 714756.9776 78841.86697 91562.55661 69504.86381 74889.17044 68322.85168 78781.5997 82315.26784 2394680.272 70789.11994 11267107.82 71128.67213 74529.54944 80185.84454 2343212.408 88669.28218 73205.1897 89969.0451 92934.94418 105140.0399 5729639.866 103483.9102 225681.2283 811276.0714 91743.44791 88718.33076 111197.9183 91707.85797 79889.7906 82201.36156 76869.24355 73768.40042 94197.97301 108815.1474 72297.28214 74111.91377 76098.96932 77022.57723 76672.45625 74959.86254 77570.29668 105120.4523 65725.72367 73590.37173 240401.8363 665259.2335 96275.27517 84423.96721 123997.2214 596146.9956 109540.4407 85438.22995 93500.18531 70372.92263 71890.964 90085.33397 92120.28816 83260.11729 70769.49202 81520.84936 1062634.371 82792.76021 91869.35424 76259.17978 98481.17979 113587.7551 347862.8149 787283.3341 70618.01729 70797.17135 74948.29798 89135.89809 80523.79092 84415.05183 77822.32423 95434.63507 87815.03104 71890.77279 69976.6149 101103.1599 81430.01116 96845.50774 66817.05453 259086.6638 885732.8016 84698.90196 74422.68159 80370.55777 69531.70326 86657.90901 78965.9682 70682.01821 100617.242 72140.99117 93926.55874 96683.31004 77133.7989 91860.21093 69307.24136 80255.76083 433935.2308 989460.7105 67566.38127 86510.54621 87131.21141 76067.78373 84880.98483 80318.41483 98444.96344 93378.18597 73100.99775 76855.059 69883.06269 85110.94664 83156.8704 67712.49128 96423.21355 88078.21786 74253.24283 429781.5595 1509332.706 175124.5932 100765.4694 101443.5578 101124.4382 93067.58204 96811.77702 Dihydrothymine1 931339.5849 114793587.8 116948318.6 116078832 84294805.6 41779579.54 120218620.1 246843721.9 206641923 146462909 1557409888 49960508.1 107454312.8 605827229.6 206982880.5 53640479.69 157176343.3 575263396.6 119297015.1 132650844.9 55171180.83 96145516.77 214562630.4 117972224.2 362323923.4 129639469.2 134306113.8 510148894.2 674713347.9 104951616.5 148848741.1 131208082.9 372694382.6 253780984.7 42684543.31 174045476.4 1418611988 370973920.2 122929959.9 54254752.25 267638486 290508996.6 713560106.8 107252161.3 125757494.7 464606810.7 1009502729 186491296.8 135387456.9 137430744.1 262721313.7 687544778.1 25387898.36 145821644.9 240891158.7 621747683.9 211295445.6 157692337.6 84789780.06 105599800.8 99518218.03 45098388.58 72715366.54 58267407.72 117868355 345879544.8 58576448.42 143827289.8 46932334.52 150224137 329148679.3 147253580.2 165544132.7 56459392.98 188208840 108088791 864020235.5 173225161.7 94714397.35 381709134.5 83497913.01 1173035018 50404455.93 185866591.4 93357158.79 171769339.5 240361448 64097609.23 371716654.5 569283352.6 332259274.8 242665970.2 458804241.1 162023158.1 155922464 211766.1483 234856.0706 139935648.1 142131716.2 212116571 50850451.74 252447568.3 311973593 291980484.2 245012778.4 374916198.5 462889117.8 246413084.9 137663689.8 124627085.4 76609205.13 325938337.8 212735929 334997507.8 85799296.97 186074060 1077800.926 96278328.82 144476720.6 336681850.9 273422958.1 221166123.4 124808184.5 290010504.6 274309936.7 626526336.5 163550364.6 132026204.1 254660333.8 69024647.1 43083357.98 111117421 183113125 183184758.6 236461475.8 145163148.2 169705912.1 110826020.3 124775367.8 163901991 49785174.66 425464759.5 211356573.5 669850969.1 67056531.14 109606119 318594197.1 966790543.2 68309607.39 185867335 203001307.2 109987588.5 34041412.45 68695032.38 119436950.4 581827606.3 835284815.9 609384885.6 726330119.9 91752110.81 141291473.6 192929386.4 3961107.006 484186493.4 143137497.5 128961854.8 439584335.6 76623096.22 159807472.7 200934633.9 17346162.41 249639.296 217981.0625 213474.3062 223320.2642 211803.1745 Dihydrothymine2 83697.58235 3018945.344 2351214.801 2733477.106 4155583.676 3378627.37 3694504.079 10080774.78 4237787.776 2795315.281 3139645.285 2390079.601 2467306.85 4522380.546 5209556.467 4813678.394 7179472.584 8262207.689 5601862.136 6325233.848 3032292.843 4012616.598 3502037.446 4126094.537 5786542.599 2337686.903 2941928.448 2481961.667 7925954.745 5438731.314 3091277.586 4227069.895 3901146.317 4783346.277 5462509.846 2217436.385 3987327.807 5597625.7 4309255.58 3400765.025 3448350.947 4663936.34 4705453.535 4422998.566 3256150.838 3817550.384 3077780.361 4171296.306 3101581.233 3275372.113 2287530.494 5430506.834 2153013.087 7670265.708 4233135.168 10733040.28 6781402.037 5153236.047 5768842.018 2902223.773 5293053.045 4311780.504 5013519.724 4580811.289 2861901.841 3689579.938 2954035.322 3693277.034 3272651.192 4141571.323 6632763.47 2757209.345 3477321.098 4462646.738 4792311.005 5389740.741 4714680.311 2665988.645 3051159.837 4311923.343 5214552.737 3623096.391 2386022.974 2191541.851 2930791.364 4288442.368 4211618.725 3578833.31 3541652.295 3586348.098 5959770.665 3983389.072 2192844.573 2976432.469 2745817.801 126125.0517 91805.09613 2914494.435 2821771.557 5158608.977 2564974.354 4684117.843 3907679.044 6226439.108 3168426.654 5384484.541 5051072.561 5883848.68 2249875.891 5207408.193 2851320.933 5019498.143 5189345.993 6318070.284 5184708.429 3787834.165 3576856.148 4549745.43 6309088.259 6423429.525 3479220.455 3593935.801 5806959.952 4239266.822 3945974.266 3355119.47 3563832.387 3227213.645 4178065.866 4555033.578 3824339.423 1926031.592 3256431.503 3237715.427 3509001.331 4680194.01 4325868.275 4368375.664 4520499.255 4469966.057 3441274.877 4015902.755 6793299.338 5724828.422 3299783.171 3874136.959 5364547.984 3828738.595 4465166.724 3387621.429 3620190.108 4078836.414 1831193.087 5821292.718 6543018.358 3769269.622 5981227.711 4850941.266 3044142.572 3899154.294 4541299.41 5351676.765 5039856.97 3558276.12 2533156.275 4172560.937 4219434.373 3728842.802 3619650.657 4174667.706 3900574.273 110267.3313 115986.7654 107600.0408 97409.80803 109932.9456 Dinotefuran-metabolite-UF 95222.61037 8998266.229 15441159.55 16710936.96 12834310.21 21683687.08 7825392.772 8971659.507 7889942.255 10056791.52 10724432.33 14547427.93 11006324.29 12215686.94 9311631.551 13409482.5 12501142.05 9098798.149 10453830.45 8189905.33 11001877.24 7028480.633 9053522.574 11878041.83 8605237.055 8665885.231 9531590.599 7018431.705 6587219.215 13708530.73 15149846.03 9820551.447 9184179.478 10128558.71 12582645.93 9585953.163 9517583.093 10643114.28 9243312.619 10629688.24 11610381.4 5227309.339 8095797.186 11276534.09 8304944.433 14494053.42 10756383.05 10246126.02 7696908.178 7268595.037 8779294.733 6743575.22 15961175.23 8165368.467 7434603.872 11588550.84 14849579.07 13311517.08 9687811.818 10457617.2 10596312.19 12971464.81 9920373.319 7787838.623 8692746.849 8052138.494 12299222.78 11349722.36 11934939.2 16381635.22 7618896.871 8054750.201 8672749.271 12196771.44 7113699.168 10400407.6 11537630.49 8991621.975 11870514.8 8095455.274 6915034.97 8864306.691 10663906.13 10256701.69 11224099.15 7843121.473 11573904.78 10855493.98 6758027.966 8028420.999 11426602.38 8505033.452 8757922.833 7860027.45 8131424.359 101341.3525 110291.6466 6448436.29 7302779.266 9685860.409 9024133.852 12484926.19 11530002.29 11530898.08 10572550.88 7181477.929 8146001.009 6924907.124 10801751.43 8268108.213 16623994.39 9281495.133 8384452.855 8317368.427 14682926.54 8263399.709 8126788.653 23000876.19 7738229.423 9827507.989 9169420.252 10930615.78 7579838.208 6627541.879 18797148.14 7324518.194 8018830.462 9720749.567 9053413.452 9764023.257 8293959.261 8352074.47 8252044.06 8037144.145 10889409.26 9837892.053 10469603.27 13404538.34 9452701.291 8148388.001 13089466.3 9062987.52 10378339.9 9720104.221 18293839.23 6331813.355 10737601.76 15728963.88 13676163.61 8577715.549 9065577.073 13198160.12 16016811.89 8547637.774 15166156.24 10404291.44 10785840.68 18341756.45 12889703.84 9727256.301 9092550.882 8843684.352 8404783.903 12555605.24 11858273.38 6893038.136 7742401.737 11690255.5 8687514.255 8862130.721 9608301.426 101526.8438 107668.9402 108891.1263 97140.34342 101699.278 Divinyl sulfone 159599.2306 28955090.41 18509626.36 21951175.59 24055754.42 14868456.75 28098340.99 13980208.44 16710321.89 31887919.48 26797584.68 21813144.49 13573866.82 38581607.95 14697525.34 14534136.05 26510717.04 38652770.26 40568029.67 45178292.46 22088175.97 10595975.1 28257167.74 10962402.71 26030138.01 19606806.41 24074319.48 31735738.21 18408319.21 18022776.47 13802237.87 15892745.69 31286070.23 13210852.24 33263210.11 16848147.77 18978066.65 11194375.94 9958879.447 17227278.49 10081404.38 11871403.93 18522562.82 5756101.724 9659086.88 13092668.16 14139836.72 14767079.66 11441500.44 17766798.63 49970009.18 56561891.41 9365755.527 32459596.91 20380219.94 12224355 20796084.86 14518976.77 37711508.01 11518332.85 9269764.7 39011730.74 37257775.5 10322431.06 14010258.24 82810719.57 28791939.04 66821739.99 13567438.86 18646647.99 29496252.67 10071975.93 12684231 8650265.382 16955907.72 31290007.83 15757308.72 48367150.35 9711392.486 20698997.61 24694987.16 13486707.36 20937710.47 18341749.58 8986325.735 31999165.64 16841918.58 21944498.44 18202875.24 56296594.19 32098815.57 17109165.09 42284113.5 10843156.75 11919448.05 137655.5003 136026.7846 8314913.351 10504518.96 11650668.81 28532951.78 16730607.48 19651909.43 25454884.53 62331659.51 15797137.88 26236570.53 12725490.26 13694937.79 8301477.26 22620963.79 9430051.571 28369228.03 21304255.7 28787695.46 10932895.02 12267963.23 32698884.72 19219888.72 28090525.02 7393046.323 10442545.94 8290150.731 16260944.51 25973687.67 30782546.58 11300438.59 23589419.72 14141743.85 26039213.19 10994101.33 8656006.471 12604727.12 12079772.49 21257729.72 16211066.16 15247470.32 52281292.23 17875430.16 20091716.83 67328947.53 16254633.86 19161991.04 18292947.61 24526759.88 20060226.37 16440471.64 24958594.92 82124591.57 10670251.32 12767428.36 19303768.55 23601626.8 16524529.93 26259293.53 15629695.74 15021670.88 31024371 69033799.45 26052547.45 34101301.57 30721206.26 12818523.32 21734705.39 27636356.93 11343970.31 20453923.55 9974436.633 12230285.83 14249148.93 21607973.06 130692.9626 132792.1034 129362.5013 111668.682 123899.3724 Dodecenoylcarnitine 136519.3279 16402853.36 9987371.788 10049542.14 25157911.63 23742917.66 13516597.3 68713151.32 15266191.42 18957599.29 13836885.61 29154459.44 24143626.63 21716685.79 57208121.81 18458378.03 17956075.72 44913502.45 20993622.63 49890438.87 29090511.19 21096409.69 33945204.26 46829317.36 62740620.5 11388588.31 12702318.4 49305701.87 37226920.17 35815625.64 19803889.95 31384831.75 25577909.31 22939929.49 42485532.51 20943061.58 26428260.31 44175981.15 54776775.88 49733416.41 27940238.7 41876831.93 38236295.86 47101372.83 15424600.95 26591788.34 32493090.83 32226323.64 13771771.83 13602005.55 36327038.14 15845128.63 17085633.63 50964754.02 54201463.8 64918088.28 70356241.06 34137797.63 33377934.45 16704925.03 51257496.15 83480412.92 63463257.17 31550774.2 20320220.08 60029298.31 37085289.4 36516261.71 67003097.26 35173247.78 99959629.88 18168993.75 22877222.44 50297712.02 50269260.14 30096046.32 69602371.33 26953732.11 26388745.51 50202075.78 19845547.61 41102026.71 28196179.22 8020902.139 34782101.59 42745555.3 54000191.36 50951880.8 72421029.3 34457234.09 75741624.72 36190666.48 40907673.62 22044601.74 22336977.6 155677.2616 125953.7531 18804517.9 20599624.89 28885448.88 52777605.16 124844728.8 56769643.5 38326238.79 25457193.59 67669855.8 39951554.63 44788976.13 90716823.17 72566326.36 51751550.78 74916949.78 29590924.12 71143007.69 23000131.26 31395053.76 26828609.1 64749242.39 58500257.38 123037758.6 63310390.67 60500458.21 68372082.78 65156341.41 34442231.89 72009708.1 86605190.97 129136462.1 57723159.96 29331197.08 67970022.6 66616054.1 30244689.34 28691378.65 85055946.98 31920891.7 50451286.02 42803303.89 98012295.7 67931381.96 91150448.61 65834507.24 64209007.8 68006917.07 40813273.99 30976675 29072405.41 98394885.85 65897848.25 31614785.97 33551422.78 62859469.8 54291789.37 52818012.07 76849247.55 44038346.83 36566710.03 87786310.24 38381300.99 150568799.3 79517693.23 74567138.48 90526377.58 102292420.4 31851574.8 68184363.82 105611329.9 46896184.73 39077358.81 40638623.97 47863225.98 142641.662 136497.8852 131844.0729 161555.0715 143110.0471 Ecgonine1 136563.8608 72820076.68 43261940.46 49205957.44 52192963.53 47542685.01 69110918.94 84913598.65 60468620.94 43772764.81 73386178.52 49251795.72 54662976.22 80105240.58 56250715.51 55995803.29 50409125.94 78553459.14 58704310.37 105454346.1 60854846.5 89868997.58 67873157.75 92048000.05 54671518.25 44418737.53 53880678.48 74906493.05 63457850.15 59345394.93 75191969.64 66911954.74 79489500.94 39869452.53 105619883.4 46985715.72 73005235.97 91105111.23 51703065.07 59079023.25 80640475.49 45677550.3 56872993.87 53898848.77 52313619.54 74673418.74 70049497.81 30637848.84 45063933.47 50304128.6 79445265.32 56770324.74 55350880.25 77184334.18 60245989.88 102823493.2 95531817.67 59113684.03 100381774.6 46236814.45 55990196.06 52903067.04 63248098.74 31179616.31 52936865.37 67618791.51 66015717.91 50555356.33 52229415.4 73243501.26 77253926.47 40658829.83 49867503.53 82415161.65 94603947.17 51014286.45 40468520.8 82904918.79 42870118.57 40933071.85 34236499.84 36115939.36 68491685.26 49650148.88 22463132.63 51764165.93 59091108.08 43854580.77 79905585.21 28811007.25 33722987.19 56698024.79 53844105.27 41368630.74 42808209.47 133110.171 119243.4472 35723400.26 42917179.76 39089563.37 51633695.57 15310575.27 38208015.62 49617062.51 37467166.75 57992536.94 47783755.37 55329737.95 39410103.23 48998239.17 57436998.8 18434924.82 26610677.25 34506214.96 67253820.44 46288945.14 47697562.68 40483072.79 16639666.7 61732239.52 59187332.21 45115688.05 55306454.77 50618030.01 70877109.42 64239894.79 33791124.92 54136104.96 27721917.53 25773670.58 42890699.28 43951073.5 42337775.1 46557130.14 46565572.18 42033363.5 70547946.24 58171531.29 72248810.02 37474690.66 45897391.23 64303506.94 49734417.13 71070404.86 77254174.37 58161919.23 44521373.88 57941635.01 54219247.9 43452699.76 52992359.49 59306808.12 25203015.47 56926462.31 87746698.27 39418566.02 29651742.66 51047515.06 74826014.18 56534847.85 66513706.07 23789795.32 73704821.58 55579712.41 51223138.47 49065586.61 37319145.21 33435922.1 47171817.16 54601494.87 103038686 120352.916 123805.6995 122651.737 131197.2934 123369.8461 Ecgonine2 139739.7111 387759.7814 127818.9318 137833.7856 178441.8865 133133.4118 271760.6488 53315.11493 95913.77676 462365.4157 304351.7179 470789.5055 182578.4478 144691.4337 672891.5463 89111.98384 118231.0622 118208.8361 98684.36831 110985.8877 196848.8059 95532.21078 120863.3433 147133.475 198047.7322 115036.5034 469929.7262 104365.1712 237744.9016 221441.8401 97382.74286 200089.7037 93372.71445 119285.8007 78980.94502 371832.4279 479212.0357 118367.2559 101714.3544 121383.4495 1669294.768 202617.3975 110731.5301 375172.7522 94906.64307 500238.3716 382857.7351 226612.7932 98818.0287 432315.1949 187502.6866 109806.5637 68854.9909 122983.568 211629.764 197589.822 738930.6864 504696.9229 140872.1154 92774.76175 121457.1367 173015.0311 87421.41874 99055.65997 307597.8938 161513.5732 186347.6897 111452.402 126089.3854 110472.8194 121347.6376 102926.2541 589622.9795 127946.484 98711.14137 133354.3071 109980.8166 57405.85497 190461.3601 81583.28917 5645216.996 51909.80342 156687.3066 128116.2742 198046.7278 147570.6087 218818.3132 91949.58358 531077.6005 206076.6271 1665457.02 181029.8942 147472.6811 116134.5966 483833.9065 105566.7329 105856.174 100530.9373 357699.0607 100552.6228 1656454.824 117702.2761 116840.7677 105968.9159 183966.6051 290398.8988 111717.2543 102989.6536 741346.3642 1244295.951 164522.6866 353430.1719 89594.30696 664091.2087 101180.7281 360686.6125 548416.6208 506624.1702 670713.628 142614.6136 113451.1855 100091.6039 1115405.726 119991.2275 97069.93677 115520.326 307207.7247 83919.58358 105375.587 1660901.589 119920.9504 52709.07453 407725.1681 221371.1481 134384.8935 307610.969 1053082.496 213232.225 103924.6561 553319.0079 135373.3792 196798.1757 608138.6595 322470.9451 259878.4414 644387.866 304647.039 122232.0613 286209.7511 495303.3379 537877.9807 1707615.024 169658.6788 802000.9361 96207.20932 193100.5912 94503.12575 217668.3365 356383.6998 126401.0742 125722.1077 342810.3628 315118.0929 117938.6383 221851.0358 796503.4854 105627.9641 89048.33746 103985.6201 795541.3752 707322.8412 120843.1737 121974.1659 113312.2563 111611.4682 132152.8731 Echinenone/(Myxoxanthin) 524874.0937 3449874.309 2131717.932 2019137.99 6338159.853 2318179.625 1684682.141 3475722.469 3862472.347 1135150.884 8710067.578 2775084.128 9222371.86 1045321.397 3691477.483 4853466.674 3187318.282 4731159.772 1122540.039 4674903.545 25976477.27 13617286.08 16050879.26 4634218.48 13899236.84 2750865.702 2269550.21 4723705.827 3768347.185 4582228.144 6339940.739 1881405.255 6420457.716 2927292.287 4988476.609 5265709.802 1511431.052 678052.7841 5286710.16 3871996.575 4798801.931 2083673.031 5314860.562 5706800.296 1551711.281 2898180.884 11601502.9 2114798.021 722172.7677 2261977.929 2645279.276 1647110.02 4380795.868 5134762.137 1506975.434 6869627.629 3891679.956 5427306.593 2479524.373 12948649.45 8839314.365 1896394.636 7980278.039 18371907.73 12027724.7 858623.7636 4509124.626 8613996.462 4676295.198 3021448.12 1612899.12 1037627.891 1306650.025 771435.9493 1461388.11 754587.7442 5871432.347 1868124.914 796194.9423 3330743.654 9283511.088 11862057.19 6748942.242 2301148.583 1882811.868 2549805.299 3452445.362 3419694.872 1745060.432 313260.5717 1078125.15 1626138.301 470079.775 1242165.806 842504.2512 892620.0982 196138.9555 1742676.916 2010074.706 8237061.857 4604548.225 17932259.63 6917699.343 3727267.487 5871517.785 3230683.314 4455342.134 5761300.115 15034651.4 6592590.26 2741368.118 4736116.406 2740316.602 3416174.068 7505765.749 2622993.847 1861887.475 1908522.301 15052817.6 3147224.926 3042800.376 4029144.71 12796160.34 1752412.662 1784306.409 5051394.408 5366151.217 2889705.639 7696607.737 15461092.11 2353822.021 5057336.916 645353.3275 642445.3639 3957216.063 3846739.794 719573.3099 787291.3108 6468634.886 2906898.832 3774622.024 4470772.178 2200332.825 322109.3662 1993778.349 1068167.072 3468780.358 588128.5098 4553744.846 620964.7415 686730.2527 6362336.215 1418858.453 2036741.923 770837.2787 530515.6519 2263965.027 564207.0172 587974.3872 833479.5469 404533.1366 1703482.825 278964.912 1770033.342 454479.2632 1163864.059 947403.0304 325786.1379 6597899.149 4255747.555 104947.0969 211779.6312 111366.5088 113423.978 109959.7142 171373.7186 Elaiomycin L 130254.9562 5414694.642 5650313.036 8347339.643 260178.9199 271137.3957 5397542.258 4141009.216 5351316.825 1417282.678 1701357.969 6151774.657 2290112.867 1198158.199 7694602.185 322910.9983 428362.8361 38475445.2 225774.6169 2920282.681 589885.9711 2076367.239 674160.2323 325743.9458 426896.8154 8265330.185 12485436.93 219522.8309 460600.834 4027701.787 308998.8419 499221.4925 664771.1028 1261575.561 631815.7378 11611481.34 26922131.44 492625.0414 344170.8769 6175658.933 32591103.46 510014.0934 1106657.487 16034207.79 498122.3568 25757554 11380090.01 19169256.07 9332004.533 11763455.05 264126.0628 3410086.629 6074967.184 205259.5863 282096.8254 4446765.022 296526.6805 1469158.116 273832.0743 6219099.417 5607952.143 240611.3308 215483.3967 3800003.464 3955096.333 571567.3311 264984.3783 792522.1416 261135.8615 244112.5117 1793946.11 6436349.789 9063508.13 276791.3931 705944.9194 386305.4244 3367961.226 720658.0428 1042493.222 236536.0938 26255041.37 3909916.895 423382.6834 229456.6056 3123579.858 259770.3314 1865374.513 1113202.701 8720596.919 5408610.32 9317396.373 13867433.36 514840.0079 7870972.877 8166013.746 125782.9157 135885.3026 6822665.736 10431918.49 17347422.34 50605061.82 8405449.91 639669.1525 261773.2286 192024.0941 18559681.45 13316782.57 1570776.083 15106024.46 21754538.84 222440.8024 18776754.16 194734.6514 231691.1961 435092.8718 13399890.27 10590636.89 252792.3949 9917832.724 743607.6916 15114149.77 1433841.753 6645986.851 534573.2732 290183.165 2925022.893 16514957.09 200264.4202 3643094.306 20714797.43 712326.677 5753586.134 11292293.52 12873710.21 17386115.25 2553510.015 39005041.68 276509.6151 2127133.262 19273134.2 753999.1382 17283964.57 12334722.88 4453622.231 147203.1021 13340258.41 7194659.534 638952.0135 1414202.562 12172624.49 15471613.41 68983245.86 201131.6535 36579275.26 182466.8323 6725931.333 2078630.053 1410280.745 6822914.311 4096138.12 184687.389 20710692.87 9758090.576 1418467.247 212313.1731 12965205.9 286559.3575 3794182.617 14980454.86 17607410.62 7212096.424 127594.2146 107437.4138 117840.4228 111925.7389 112615.6474 ELV-N34 569196.7201 1476729.187 940737.6079 983130.3478 466584.4299 810650.4369 745626.9838 2905198.999 826455.8868 893912.22 575957.0513 1343140.802 1728884.642 1049480.446 2148637.2 3634089.256 1306673.812 624493.9008 428742.2628 1989154.02 896276.3174 3568818.341 604020.2084 2402503.75 469577.8542 1019337.556 676869.0488 1638360.995 1842298.716 689130.9778 2599391.148 998012.9627 1356174.621 977398.4447 2185120.5 2667091.019 941163.7908 890129.3787 2631334.131 2684557.109 1010900.79 492135.3749 1754626.436 1987365.95 975315.9861 1023855.274 2726160.582 934500.9077 339389.0722 782944.7899 664350.8315 1294920.924 4701802.485 1204061.632 465758.8696 2441378.628 1026659.471 2540375.774 1114883.587 1255999.593 1100328.279 5013525.448 2469172.56 4046974.519 1710871.251 870585.7066 1245133.864 2207264 547988.5159 1013188.942 1151829.763 1032232.562 953056.2102 726163.2981 343602.6926 818308.3795 299006.8794 834278.4821 1370220.629 1084714.129 3081193.718 974159.0206 2447159.881 839603.2979 1157112.392 847153.4453 642152.9058 3415419.915 3394239.981 475989.3415 1358505.036 1694504.491 260973.8862 837056.6989 913648.9345 982670.0161 230480.8933 971974.8773 625766.7412 955374.096 2376143.354 2429941.702 3680681.528 1782545.603 675753.3174 1426634.649 816933.845 770541.6622 2657014.576 3916108.191 666463.6042 2320160.792 3130251.256 1697647.628 1258671.616 1216125.356 694599.3764 720727.9473 2896184.084 1276901.596 771120.3057 2270177.156 5980555.951 864830.8447 2856388.342 1123268.767 4405876.165 1197371.88 953968.9955 1037612.17 847831.9069 904048.4388 837064.4777 696696.2142 360034.6307 6192335.373 948609.1668 858628.7266 2694753.489 2282636.913 3076464.181 686093.1724 921760.1745 1349877.181 781284.643 1161432.759 2799634.067 692857.1909 1079702.931 1449013.915 744720.7095 3179058.513 2958372.772 1783686.6 905682.9298 2884115.504 2112030.402 611851.0849 513914.7619 284262.5483 1165142.365 1169098.325 2290991.426 2434693.162 1351863.351 1495628.042 1027405.818 2014344.088 1032594.439 834644.3608 1504548.29 229663.2143 120770.7758 123001.9867 119245.1855 185845.2526 Ent-cycloechinulin 122823.743 4321963.516 126528.0341 105032.1467 2705971.018 3473481.546 6235009.521 19968642.29 5473455.077 3898082.96 5226482.035 7311953.364 8247140.809 1524308.96 9425576.869 6197322.837 5360689.278 2851441.046 3058826.583 7212994.546 4504230.344 6199557.438 4144967.488 5046235.451 5617198.421 162772.75 168356.6849 4770079.17 6013252.595 2490085.068 9484455.24 6520370.01 4054695.024 4000976.203 4586380.657 5932349.726 4377298.069 4020514.049 7276943.129 4469249.223 5444801.344 4350139.231 4870836.821 4530294.24 5060015.707 2293311.743 4533467.146 6428875.792 171788.6782 171546.4689 3981357.468 11097673.53 6933068.473 5465812.307 4234341.072 7636133.024 9282384.166 16314739.25 5645255.523 3755128.838 9545245.951 12051265.89 8753762.546 6512399.754 5665800.575 8907718.67 8225347.856 11743664.27 4494359.653 9777477.177 2123231.693 175790.9203 212197.284 4070357.826 7687679.21 5196957.998 5602386.877 4146129.118 13743067.99 7759978.434 6790124.699 5947528.267 5867812.353 2349380.433 5640606.328 5328118.703 5281503.5 8538681.109 5575067.678 5990580.973 6643644.111 10471386.31 13581713.51 176318.5649 156597.1835 92787.52022 93329.42554 133775.6907 156016.0292 8457909.375 11323571.6 9198621.462 7766676.685 7064257.717 11304858.22 9341391.027 6524798.985 4482519.516 10372846.21 7755787.89 6540189.097 6944760.927 6538740.811 5254820.833 6836576.881 155657.531 205537.7535 7467229.633 6242518.91 6381226.968 6816685.359 8520876.657 7572977.592 8510080.834 6373695.677 5528480.789 13993490.34 19533122.74 9012469.25 8300968.425 2552366.534 4334691.838 253414.9439 261232.8402 7289886.57 15752723.37 8037055.313 9631012.328 9964349.87 7703299.207 6403941.991 5237275.881 11451538.01 10831058.45 10725015.27 10413798.86 11086868.17 7427606.741 8928905.062 280466.1571 271475.6001 11366704.62 17798213.2 4401988.361 8457794.449 13494334.54 10492777.97 8886635.061 9112607.698 13612681.54 1676070.298 16057149.22 6064553.036 11453977.25 7854923.309 16596972.26 10954121.15 10177222.04 340810.1767 261084.9515 10930839.75 106214.6959 107208.7776 99595.42168 98100.51976 116155.3176 Ethionine 110485.1318 1033491.071 893627.8964 885023.6021 1707482.711 2990029.449 9013153.323 2093291.81 3573242.888 8139426.304 1800341.166 1254389.145 1280196.574 1103998.533 8321446.408 3053000.47 4517477.49 2061099.517 4592285.46 8616080.31 1190042.832 978812.51 3016799.059 2874071.16 4156733.599 1272328.239 1286917.743 7088682.372 10426726.94 5330174.499 2329818.175 2521783.535 4297421.715 2531424.771 1661960.636 931892.5267 4889119.16 11742405.69 30332119.84 1202528.511 2440852.877 19244866.78 7734052.985 2924787.314 1843139.667 1518793.107 6188321.868 3340469.234 1379519.659 1396760.645 2197995.908 11910221 4764776.569 1781917.672 9272021.42 1507267.673 2761284.212 12312198.02 1349284.773 1045259.068 1680636.706 4648228.839 4671633.418 8259003.528 2196338.77 4517892.301 1371712.44 441503.7906 879199.0622 2948993.751 14712658.89 1377138.114 1446945.451 1082171.069 12214339.52 721149.8847 1609652.241 1851267.276 1242315.032 6136900.194 1291515.701 5604456.23 447446.9085 242510.2197 1500960.116 8132916.084 11763468.5 736287.1672 11530425.43 3045496.431 23614908.67 1562258.261 3274331.793 1281658.406 1200577.186 107690.9711 96472.28712 1156203.161 1271572.429 1790413.991 848548.9051 3515880.837 794930.9007 3007224.069 2177006.958 4811358.294 6550235.466 775675.2214 2320005.918 2478790.84 959942.3034 2787982.99 3543137.242 13106616.73 419774.3045 1521777.77 1417326.424 2008687.511 9454286.622 4444118.307 1754289.239 2325585.306 4274642.684 2851919.34 1714770.658 2803972.882 952756.3309 1951307.715 1427180.223 7934081.722 765888.4355 2165667.71 1328675.559 1312196.288 725485.895 2696981.902 1049046.022 10955581.51 2552024.903 3625793.39 832267.624 659163.4982 7355650.385 3484088.923 844117.1063 1661922.469 8090008.319 5435090.42 8965405.36 1420543.881 1537507.495 1350469.067 5463742.23 6716441.324 1547313.266 848847.7207 1024197.811 3498788.886 1099524.906 1588368.424 1915582.266 9691442.595 1293426.704 1399568.589 1304763.282 7017423.224 2283071.8 1704936.86 1271539.057 1361205.982 1750901.22 119990.6747 100163.3152 101827.0811 106143.3836 121507.8907 Ethyl terephthalate 253509.9931 4216988.9 2571811.346 5784205.973 2474436.536 405006.2518 8748951.99 9940929.685 4470980.137 5390114.279 12176519.26 1641342.711 273907.4241 9653046.576 8662975.637 2364068.294 4789810.678 16541691.37 1613242.818 4937049.154 30712271.16 2083374.695 8404448.009 1596087.054 12079688.37 2852542.215 5648965.63 306457.1717 298274.1279 6908442.086 3059425.126 3112174.271 1285631.278 6257527.336 2929233.823 6965674.446 4439426.46 4604297.72 455125.7503 838447.8068 5872676.591 347439.4833 4293200.799 247024.3527 8739242.929 27970413.89 5703947.303 3713862.937 2761891.141 5548956.652 1131561.331 2067930.523 272844.5983 13919661.17 784950.7129 12358732.86 14491389.5 1016312.679 11697707.89 20899539.99 4090111.57 483794.861 40240156.37 8344706.298 914480.4141 2601500.322 1047888.48 19595854.37 8187462.281 816274.6867 7884148.535 2271713.142 5864333.008 12466734.38 3517877.91 4460328.654 1086504.415 3239942.927 7100192.965 456932.0558 5466001.281 29879095.82 13679283.01 15460782.63 4497974.306 10180836.2 3096009.892 3077347.343 5469259.891 766495.8049 1364728.179 4610343.495 43467.31044 2999593.093 6712948.628 341598.2768 285849.4928 2947309.8 6524074.341 1046275.368 950029.9151 2397987.797 9334240.215 263108.6641 1941511.882 9374522.783 18502689.63 3212777.946 3212436.477 2579097.65 8210134.673 984803.9735 6456095.883 848809.3745 6889240.213 3983795.302 5937421.784 1134222.408 6811470.058 1545463.558 757390.6499 990863.8278 24333949.8 6318327.726 1680588.37 14728721.7 2491746.635 11442382.37 5609758.637 107017122.4 3199182.704 20667711.82 3035562.485 6767817.091 2568553.52 6277059.838 3848433.065 1953194.671 4703766.993 15521272.45 4632642.327 20251018.25 195606658.8 2210242.952 2482148.857 3325994.214 770077.6837 3121151.012 4873908.41 3462924.099 8015685.077 20268265.77 749365.6478 4429565.591 3655137.403 17791013.88 3448397.432 10353143.22 8507308.489 35809064.67 6110650.705 8266148.994 16136769.46 6334447.315 1616326.522 2854324.655 862635.1502 1548518.41 4078559.145 7251718.039 7910008.343 244639.1799 227277.9116 263300.5909 244821.9723 237493.622 Ethyl Tumonoate A 119952.3821 8711288.833 4021230.557 9213229.889 12506784.18 14052004.66 10539570.97 26288132.43 9869119.74 11919369.47 8166661.298 27181383.96 17822850.68 13586901.53 42366013.88 10929989.43 11563076.28 17164525.8 12415796.96 29129932.02 22721711.36 15983603.42 18936300.56 25460797.54 30717391.26 11844897.87 11651042.68 47461261.92 33771001.57 22805994 11189993.45 16114790.2 17925284.27 15022097.06 25292138.21 25975053.49 19880089.7 20215601.56 51163000.58 36213950.34 21403917.14 25951832.57 42033641.83 36410687.69 11558690.28 9742149.48 25387592.27 13589252.82 13775433.56 13166338.29 27364223 9817840.94 11870270.52 24785915.17 25662408.7 32007826.49 30991795.14 22430732.32 25029647.58 11609487.69 37928153.68 58570714.09 37184496.2 32755274.93 18688142.55 54037981.4 30083695.13 21591830.82 39619682.03 24996237.18 67548676.12 19822583.39 22147958.46 40289310.85 28501338.33 22870699.71 51064367.39 13756934.88 20238917.77 35465359.78 22692268.5 27905499.96 17301479.01 6370563.694 16463025.99 27485856.48 35104339.67 35761953.41 53617106.54 20759597.71 47609799.05 24813378.12 25551176.29 22560161.24 21052218.68 143602.9369 118107.6113 19696548.15 19177319.95 18601944.2 45967990.42 110905962.6 58002548.05 27915921.66 13815689.34 46598219.25 28779491.89 29481144.73 78539316.42 56735662.26 34091777.57 56345072.43 25571891.71 45557344.37 15601257.67 30335010.3 23208176.82 30190049.11 45203693.9 67086691.64 37475798.59 39359312.69 42616503.87 44579422.54 18225123.54 29342536.25 56867265 108631556.1 27092113.52 22445880 51964777.5 61002612.39 27884508 25246323.67 55796053.75 19926967.23 26480858.48 26557992.29 72336083.68 54243407.6 49416554.2 47180260.56 42620439.06 40431153.08 16215835.65 17563728.24 18280468.11 55919104.76 47690780.72 30861065.37 29212455.39 40659175.26 33238287.46 42425293.87 33626869.59 31017317.42 21674986.99 57164023.32 20255188.69 97965793.2 58706711.62 66735694.24 67454246.94 67097859.27 15736911 41769715.77 63889380 27925180.41 39887678.84 38600108.32 29215344.17 134008.944 109157.3562 133968.4255 109565.5973 126720.896 FAHFA (18:2/15-O-18:2) 666457.8032 16300577.8 7648698.991 5071404.316 7848800.005 18602527.2 13601457.51 23841165.77 11549010.76 11046609.3 14318334.33 27950981.45 20956952.19 10196005.97 17061774.67 34542967.26 21872474.59 7590911.622 2279283.504 16042881.04 16871370.98 34220085.98 2901985.87 25210355.66 5216406.758 16577228.4 11901177.15 16221435.58 13843827.51 13130314.21 27968867.67 10102722.5 25138077.29 10858423.95 32331989.38 26930561.19 9995222.19 12332051.83 40110965.16 24416990.63 16139485.12 12460053.96 17642540.53 25188574.49 12744631.58 13538823.87 36043742.13 5487818.598 14087412.22 10153977.13 10192017.57 12786918.98 42204044.73 10307273.71 5726571.426 21276241.08 11115150.06 45273877.97 16554803.26 14071880.09 32122920.36 56465426.94 22350789.98 38641395.31 19735901.11 5918721.469 13615734.05 21445450.98 7196265.413 10535675.98 15145491.12 2903575.033 6105585.128 11310306.54 6256333.482 6966872.09 6057128.172 8351901.187 27144751.88 10658324.01 28774030.36 12959829.78 26851442.25 12828755.83 16976858.68 7035355.308 14983095.99 35807470.76 28596923.47 7100731.864 13614251.09 8204635.622 4411327.76 12825595.92 7676957.69 1150583.053 269864.1513 15241299.02 10127066.57 9914596.15 18819500.48 22418253.47 37479317.63 16493887.7 13465973.92 11348510.73 8294646.109 8971334.391 44360323.71 34485655.28 9688815.133 21864926.65 22607103.1 15198930.75 17893697.14 18274226.07 11196871.72 9532900.347 27278887.76 14159385.97 11955850.91 22237239.88 57926928.62 8039284.686 27630266.83 3364967.467 43202334.26 12060046.88 8792992.215 12225387.53 9251745.584 8774549.775 17774748.48 10624241.69 1973862.955 48562988.45 8752110.729 8406312.671 24195656.59 26121506.87 24117909.13 9278165.201 7479629.196 14039858.67 13239948.17 5156815.538 26030615.46 11329880.75 9926966.525 12438331.11 5895082.189 26311121.91 35271974.78 17019974.25 6023785.582 32650424.05 18649587.79 10137891.23 5481060.972 4854883.302 10302373.52 12145123.03 21416240.13 21527872.24 9632087.072 16840910.52 4853773.43 19005005.62 22850571.5 14530551.97 12888409.86 268906.7521 141407.3959 144019.8633 139621.1214 217601.4275 Fenuron 315863.4686 4181736.294 4775775.782 5323057.127 6832437.303 3887793.562 1138912.459 6782881.942 1350382.929 3755168.606 2497337.319 3189426.846 4929391.2 1419483.237 3733224.348 4537384.443 5334126.853 7192027.486 2655450.896 6393199.511 1928197.585 7872411.512 4118590.021 4071916.922 3993749.226 4764320.296 5790697.884 1205543.229 2110455.908 1409750.158 2907549.038 3276644.368 7557638.61 1016976.765 3399142.255 3110063.281 2809617.45 9045080.984 4109968.495 4635319.866 2269181.67 1631204.67 5860406.983 2522843.849 4028936.822 2253287.121 1666211.555 5330775.91 4045273.073 6078783.33 2671928.364 3658975.344 1082087.732 13594923.51 2312103.789 5555405.082 2867249.286 2794421.269 6105095.833 1452362.29 1961716.93 5027958.661 10291694.84 1320339.849 3506466.462 2442278.638 2360967.489 11036314.45 2702294.072 5719222.765 5419581.328 5062898.858 6667889.473 3406160.12 3118995.526 9758013.059 2189186.853 12575578 2357755.661 9958970.607 3846214.777 1642374.153 4206078.715 5220401.438 4965327.209 3906579.564 3768663.623 11594086.18 8240071.921 8248332.273 5174390.144 10847741.72 1454539.574 5887548.684 6610938.432 148398.0853 434439.1894 5226608.239 5382491.846 4776001.508 1539878.161 2275614.522 5401929.894 2590007.563 3384804.287 2376555.139 8230960.828 7284908.008 4212579.35 6453370.009 2710522.176 5902006.357 3624573.849 1700997.728 6648973.849 6887105.101 7556900.977 7847793.169 6852251.438 10658089.46 4859852.552 4466493.071 6400663.715 3612945.06 5038778.081 1988966.703 7458368.093 3106543.392 3363978.036 1891079.588 13611541.18 3660076.329 5829169.743 7441004.271 5944783.461 5509574.391 2244926.651 6527254.247 8485178 4295959.982 2892520.943 2244860.535 7110961.175 4196702.46 2176320.178 2797240.957 8749320.682 3827445.56 4213802.74 6224340.371 7911386.728 2981099.166 5725820.669 3346515.996 10267367.88 5786279.592 3929612.439 6657918.524 3710289.913 2655752.383 7028162.81 4751200.546 2947509.611 5587181.029 4991982.582 3790388.854 3938420.617 932406.1144 7127377.946 8152314.607 6864321.84 445511.1788 387921.1908 377562.7191 310676.1708 262073.2316 Gabapentin 106311.0857 11835143.06 220966.3925 85731378.41 228920.3487 281146.2598 1248449.384 1538279.157 791275.3578 354726.3482 1016773.605 918568.5376 935686.6765 605520.1985 779736.6199 732623.1745 4258496720 2150368.635 3750706.566 830193.0148 305344.4006 2429450.995 867722.066 1225432.512 234005.4857 856412.5267 103928443.8 543355.5958 849462.9668 328898.6995 276318.7996 1426235546 323611.0158 1071875.898 1268122.987 996335.6726 437807.3497 796201.2034 1484088.403 825359.6219 818542.4609 341921.4603 349798.2538 1027158.334 882962.2257 520609.8347 1200906.189 1135909.883 799625.6455 100676675 538108.223 877774.5725 287313.5231 1495791.967 1056322.832 513827.7208 740059.0545 196853.6437 956678.1315 318275.2547 1441133.386 850672.2044 354740.0457 6487473.202 765240.4791 410083.4216 1342691.146 1316462.44 346607.1059 1059187.094 1223961.067 199230.4974 115350155.2 1841759.991 499616.2456 525526.2179 1052952.78 1441775.762 1710029.607 778523.1536 495342.8655 294137.2511 889873.3469 669561303.5 460718.5418 1085692.17 1107276.185 980109.5676 440056.2407 818014.7258 895395.6287 152314178.2 975230.3307 817658.572 99266047.98 116093.1588 101392.1303 595726.8934 95126259.8 425666.0665 708916.0469 506637.8831 221938.6348 637719.982 883288.66 220985.9194 1633651.944 141794.9233 1076205.202 925854.0976 312716.4125 352132.679 357048.952 233256.1241 294648.2977 260353.2615 116918021.5 2011349789 2131257.205 857596.6744 198340.8188 248619.6466 1181770.605 189106.686 617643.4344 1058022.074 166415.4892 226542.5134 974274.867 827178.3406 341205.6887 192516.1372 1076514.885 117556608.9 875821.3518 1090894.745 915155.9693 993595.9935 1906470.666 1055084.214 852282.1124 1477029.661 337125.2646 585456.6701 282773.6634 254642.9302 2194378.273 1233013.462 1025516.074 915173.4633 138402246.9 618936.0504 190883.5891 1210767.987 808325.2571 814685.676 883662.4401 1139025.498 990198.036 668783.1498 933469.3047 192298.9615 656380.711 398921.4828 173747.7551 1272287.613 1033485.231 475894.4302 850575.9438 138987623.6 19383594.2 101525.9428 109943.4919 98224.56615 242552.1536 109268.3809 Gaburedin B 108814.1189 138921.3245 1451576.246 1411381.388 143448.7269 127232.6995 150157.2499 191619.8407 138358.6981 180430.3185 238995.6979 157148.7863 212434.9852 191088.9753 248076.5275 272199.1746 185640.9387 412039.3057 97685.42821 4313973.864 138144.934 178825.019 137948.648 334108.9838 140755.101 2073860.898 1871141.26 130293.997 2022389.007 125521.8372 199230.1232 160906.7369 163551.1949 435650.823 170736.5962 245771.5183 105687.3573 120665.7599 162193.1874 229639.1159 454636.6082 215660.4023 181973.8425 262839.4967 274687.4374 323127.5159 132060.4133 135449.7853 2333273.419 1937786.674 111034.581 253634.4948 110880.424 196651.0243 116260.4334 511992.8088 155265.7508 569842.7034 137288.9672 210020.6241 515886.434 190065.5173 155236.6863 302253.1657 127531.2768 193207.5521 165992.8515 359927.2062 105624.7913 5209247.793 271130.3763 2993353.299 2609191.902 109218.4434 170256.4282 467083.703 304366.4521 435575.7897 362378.4462 3325513.749 255895.4255 2365192.145 200119.1014 439542.6203 230684.3754 2205619.543 116102.894 3741703.66 92017.34455 195257.9733 131103.362 515216.2391 999143.0887 3119126.595 2377430.739 102477.9837 96530.34583 2350692.84 2045821.965 147715.9887 105613.6805 325400.9231 166187.7867 130687.3046 255656.6519 125689.0337 203997.3593 141915.0661 3492984.882 246904.597 170727.0249 220164.8404 120834.2165 128510.9773 217414.9129 2825210.527 2212807.631 181597.589 462491.1661 3589433.147 179017.8216 266164.3555 130886.265 211809.9811 112738.9118 179047.2886 127570.9206 237293.749 171774.4632 409635.0952 342509.5937 124130.8873 3311102.68 2581781.881 141457.1184 220347.3546 210525.4939 605923.2448 219043.3507 141757.57 409293.088 324684.5404 296694.0831 333297.5987 110643.4963 109760.2441 490022.2334 99599.18099 128507.6607 3054886.206 3036374.568 7278021.481 425278.8349 4807831.925 220507.1659 348372.0533 206561.9786 359935.8674 231764.1501 3422985.118 599099.7699 190959.8267 274853.2105 119515.0785 316582.2741 149049.6589 214151.028 281210.8454 3636374.327 3335782.482 168100.2666 115335.3981 113205.8208 108772.4456 107985.4854 115256.9513 Gly-Pro(Glycylproline) 62085.71621 576275.8341 77795.6884 295478.8528 72520.028 88321.85976 67670.73572 441250.4503 69493.74804 71271.48743 74265.89909 56349.98398 79667.07654 66939.96953 70103.58022 76267.45978 86213.40386 700939.1797 65212.62422 62769.33814 1687441.284 56273.83854 59948.89373 64326.81608 66250.75641 80203.1546 245883.4077 66619.71901 61963.15708 57286.62803 81908.09956 73337.3667 121163.3208 70585.74947 70002.8353 87436.96938 60479.93995 70335.87873 72390.44814 67246.16152 67417.95869 72461.19254 57828.27359 79532.23912 70887.59181 96478.58227 67172.08807 70187.34547 76905.72115 143955.9797 89165.12432 63791.12203 85803.7726 55909.21951 58009.41728 1461405.513 142654.5404 134899.1358 64937.75012 63863.70259 69965.65648 62373.84469 61778.43104 68353.58982 68236.5603 68901.99775 61871.13555 193923.867 61677.02772 67658.23103 69183.89361 98396.94625 207702.4386 76439.941 152391.6559 65397.40366 63233.27706 1886122.14 66822.18202 103236.4441 54761.35093 69863.16588 337278.9032 71791.45323 81236.0838 60487.17357 71857.54886 61312.22812 66363.96229 66071.15886 61700.13306 64484.31213 85547.49862 99206.33866 243281.4857 84576.47598 62804.16628 79652.30835 253613.379 62978.36491 84786.19273 60464.54427 129358.5651 239140.789 76306.50007 67036.64306 63394.24585 72619.75898 62160.56039 58481.87101 62129.62322 67368.10513 65719.47972 66668.629 59875.60137 87146.78674 225596.9773 208956.8209 54486.11957 57233.42269 337273.0106 79561.89154 92232.50821 69027.94839 139852.0675 69246.68177 350961.7911 66226.88314 60301.92493 63087.54734 66125.77701 72593.5145 85965.43153 233563.0172 66582.14246 64985.1883 118904.4396 65142.05283 69864.94411 1384397.997 61022.13642 83665.4125 62262.28327 64313.62934 57988.1258 87084.5628 61116.4456 68900.42892 66262.69142 64824.95345 277862.4925 63520.64555 75248.47138 74448.43762 61538.45876 69258.86876 64965.61884 63324.07991 247923.6053 65802.67073 68464.6206 62583.03746 70600.6336 91561.50463 65875.09193 72390.61515 320588.4163 64852.21886 76089.03605 208870.9863 439688.2623 66437.16634 60001.95145 71874.98421 79762.31521 67678.21683 hexahydrophthalic anhydride 120388.1575 166120.0624 154289.3582 115210.5601 230538.9306 96668.3149 88899.18667 108048.5112 140495.1325 90829.89756 86292.18332 91037.72339 93652.494 123715.3721 94057.87065 100296.9221 101858.0876 269075.5129 570243.7987 91291.40813 103495.082 81709.38559 104125.8429 188460.2194 149212.588 230953.8392 203498.4764 91436.12865 81767.14485 197163.93 2220816.342 87290.70312 154552.0747 102766.7629 97897.69673 194677.2751 80799.19659 83400.17652 87628.66063 297988.2756 88040.81582 168604.1082 156469.387 87867.57115 81763.70055 842041.7728 309224.2336 70752.57328 172202.8208 242352.7156 81457.52622 94600.2377 71810.75847 140233.8688 210410.0044 654323.6485 1715564.739 110026.7244 73137.62111 79927.04823 640370.2245 315428.9761 5677739.462 85338.14976 91610.97594 75633.84645 1458251.05 1221339.307 644148.3048 141321.5213 85719.20935 279296.8397 112198.0675 94787.13025 211405.483 114887.0225 94750.35958 82540.21579 84928.47547 197542.7424 83548.73306 97323.08672 112425.2007 74695.81813 76570.65201 3300045.951 83817.71559 126642.6596 101031.9062 80143.7703 108607.9304 71303.8287 115506.2856 222400.1828 183999.941 99469.3055 87224.81833 233207.135 159092.9619 481465.6789 88272.73026 805149.4049 589073.8764 251924.7851 93074.00669 95176.47256 1784248.889 473729.0641 167038.6798 385506.2822 85539.49437 389155.6984 77187.03189 74534.23678 86292.53509 321562.6638 192348.1177 72960.84196 1283649.015 178557.4417 277358.2113 93725.01525 467482.9825 80404.15912 322182.4454 78398.07534 880254.1987 193093.682 212437.5293 1201337.045 100058.4561 427751.2503 256341.7082 109891.3379 2173622.897 114211.2949 2674754.105 165883.6926 163329.6154 212824.5501 74408.04828 370700.3183 113621.192 1384979.714 351167.7149 147040.0057 115565.7616 290989.5443 302979.2142 520564.6134 224647.6838 164426.4122 388109.4674 84242.71128 78591.40995 178569.7474 1730120.055 691716.9372 837000.9195 87994.36346 79404.80388 330426.8142 135594.4135 172501.6961 4283604.595 307430.929 1029348.844 76716.6698 639725.8926 386731.2014 495263.1983 104108.4665 104809.0512 104479.3444 96155.19388 113851.9664 Hexanoylcarnitine 87361.96177 13954301.83 6741682.437 7733463.083 18289936.52 16532184.57 7378035.374 39363592.28 15974161.05 17424120.08 20457377.65 34151323.74 28748063.79 19963033.23 49680171.66 15712538.83 21742408.53 27959663.63 23948744.67 36221406.86 29965348.85 22984455.57 28173562.79 32811946.11 29518668.9 5138120.732 7827239.741 97565728.35 23340230.87 42049168.43 13470278.56 29356809.53 19472766.24 24437924.18 28333789.09 15458149.34 39035672.42 29339459.89 31075971.1 54773292.44 40464204.72 18669648.88 23366649.84 26156422.03 21086199.82 26811622.07 27497766.57 10737144.42 5679336.622 6674793.986 17289762.86 10998144.73 22838635.4 47314391.48 31494849.35 49879809.74 58953817.78 44373542.57 19950557.36 19274754.77 41518155.98 53792728.68 42496502.88 35617500.2 15721001.6 34668729.63 31935669.17 48174803.02 47536901.55 20605002.74 56496580.77 2719309.687 3389543.578 23430609.13 20192775.32 16308620.06 29453110.51 11598069.01 25872053.53 11389337.82 22868752.35 19222827.9 10623217.26 15124211.7 6437762.257 24040082.91 25419094.41 30312389.76 28342532.19 6980698.732 13100062.26 8909569.051 17658097.35 2127327.649 2845584.523 70339.8103 70590.35856 2946709.163 4416837.475 15176013.68 15690362.73 54961620.47 16330046.47 27668178.49 11433438.84 23351885.64 22208770.46 21793316.87 21461253.88 42118809.83 29094394.12 8906492.408 29068870.21 22463229.09 3042326.229 2549822.446 1542365.838 31290660.7 9129486.651 49552568.96 15030504.79 36886729.65 33061746.48 35829736.19 10082466.12 27551584.1 12707548.59 56986970.44 16015767.4 8282641.018 31247532.16 22531418.96 2027932.574 1469281.01 10538640.11 3551538.807 7828699.057 13660376.24 19245945.16 8211612.585 35387273.57 12043270.88 19822715.66 14363083.44 28773609.15 17732167.41 8327202.827 20583547.32 23903668.72 1424212.287 3073108.564 18299951.09 11184705.16 14754235.7 56434437.43 6188203.142 12354676.26 14099614.74 8019266.721 32360382.05 36650570.85 9197228.474 11853715.12 27191985.45 11292617.62 15776025.72 34017907.26 12616910.74 1386329.015 1669063.353 5517914.955 86029.10829 62872.08734 67122.37437 82646.86678 71313.81959 Hippuric Acid 748724.2219 7421704.569 7752749.556 17018064.85 13535147.75 4332441.071 4059015.551 19917699 7451433.832 5455924.818 22401258.14 4113820.574 7386191.551 1210741.737 10298284.76 9310613.347 12338883.94 17284639.15 10087955.66 8196344.6 19854664.44 11042957.47 15492098.58 4875522.284 26253018.89 7695580.504 15476407.15 945179.0702 6879759.65 13262734.53 7908414.948 3065177.071 16324533.86 6558045.002 15483048.77 1759024.583 6392814.894 27694130.79 3493135.118 13985995.76 2049387.245 3946041.091 4091690.404 4079379.39 1398014.478 69419839.56 6684620.823 4405284.395 7662038.345 9593449.236 2067008.12 15209712.67 1403505.261 28130925.12 8065846.986 5181173.174 9753228.584 3374309.198 17125732.49 2709861.311 7827232.45 1323540.045 15017649.77 2955145.39 31916439.19 15638854.03 2729010.144 41748893.79 3761881.633 4598172.335 7308258.291 16351773.81 18068499.14 5450587.684 21201962.27 8420974.49 4318519.268 6149094.605 2250508.342 2578844.183 9363471.221 6070805.715 3083463.773 19302038.28 2808084.385 9933202.209 7647379.78 4943374.944 6404070.279 2912066.814 8008228.362 4367780.795 1770166.982 17513166.74 27325741.75 109917.3286 781279.0328 8200826.843 15035663.15 11262633.49 845010.0572 1079412.21 4092580.024 7733115.209 11468674.98 2829887.999 10270203.21 26638791.97 3078175.178 28382080.42 9304087.224 70199954.55 4875936.558 3992988.106 54250871.88 13939829.58 25164662.83 10586630.52 18313788.55 5675775.171 5544776.615 1349848.881 10578324.12 3865426.019 13171125.05 14227384.88 3421566.899 6067687.44 31006449.99 31446032.17 26499213.21 11056527.38 10341987.42 17910706.41 1927120.8 16807467.42 15159224.45 9970878.967 9031971.113 9223460.452 5037561.541 6106084.546 4203135.446 7511948.486 6258209.53 8148239.461 10322495.73 2351801.97 3576092.944 11659849.49 21522751.68 27082761.92 4078299.882 9303940.964 107516854.6 7165870.339 2498793.013 11383198.93 31127965.38 2619931.423 25833026.55 53454214.91 3495995.559 16595206.18 2507634.248 6571977.879 5019500.252 11656468.32 11503312.58 21118023.24 12359233.47 810628.4159 702905.9443 671189.5783 555551.41 521829.2781 Histamine 34042.33931 599733.2955 491593.2768 355148.0096 667147.4148 451652.9897 425136.4192 716828.154 400694.1208 697666.7539 1250700.884 173818.574 1107194.241 754820.357 766086.0374 1185118.056 1127786.634 1305229.974 628944.6936 1001338.225 1317240.6 1117676.149 1142123.429 880665.0354 959560.0811 899814.2025 801231.2794 1002249.727 853891.3527 964955.8456 1274803.479 1063993.406 720955.73 1202670.927 919709.7845 1169203.395 1088956.978 332185.1117 946283.5715 891436.1187 972859.7123 959120.6835 1189391.729 1060471.196 1108266.22 870457.3285 779571.0733 1374849.443 896568.295 894194.9092 1248602.944 1091385.967 953192.9446 695052.5307 485942.4871 1563739.901 1452387.947 874127.6843 99643.19017 982176.8315 1040961.403 1015633.039 1074829.066 799092.6262 1118396.699 686586.0015 1241548.27 1127380.98 1148881.267 995422.0177 956868.5154 926437.1791 697956.3427 946201.2972 715110.1561 1252573.228 1262524.73 1459138.409 1048488.47 951459.3968 896678.6288 1281648.525 1052741.121 1465189.685 1418201.33 863065.2194 910933.6857 1325702.104 1257780.244 1252181.781 1115655.631 1174073.378 1242672.432 1051235.695 866141.9008 30034.20597 34096.28616 931859.5094 869776.2028 1393917.414 1163417.776 1264202.896 1532500.689 1291128.601 1446386.07 1395615.311 1161664.071 719186.55 1079327.51 742748.9419 777524.0476 1703602.428 595740.1357 1141764.891 1292764.604 854408.8943 942659.4459 1093393.681 1366171.93 1209341.184 1235141.86 1141195.75 1433053.744 1190505.962 758837.6257 1223296.706 2047793.815 1443464.661 1390671.067 1403553.914 865370.604 759299.8659 1156817.615 1119971.112 1805930.091 1035381.13 1771838.049 1272998.025 1440209.898 1539772.594 1747641.898 1681676.218 1491162.376 1337500.072 683681.8544 1155026.479 1391263.602 1001016.826 1255525.654 1246770.634 376868.4277 1920264.832 633743.0167 1405549.198 1512601.348 868968.9642 1097553.69 1216465.417 1952433.081 1546567.544 629014.6865 917835.6362 1715637.386 1417922.973 1297500.077 623206.4203 10696887.75 505548.7281 1131610.116 504457.0349 1380519.566 29813.48886 24278.59566 32423.64655 41347.87647 24990.72238 Homoarginine 114234.5983 8263386.017 10877573.8 9547185.758 7933877.782 12567932.77 5494093.956 10034307.91 21396997.82 17143822.94 24573954.89 12119233.29 21970564.88 15002275.8 7066101.622 25177755.05 18071488.19 11374951.94 9527008.102 15796785.54 27707541.87 13601874.31 9322859.706 10854824.03 8811952.157 10746393.11 9863678.115 12671317.97 17946003.81 12344417.09 19876355.64 19061210.06 15472878.26 19551060.57 14469799.92 21078850.89 30890221.62 9173884.809 17133872.94 46421137.33 21796678.58 6648023.947 13649109.01 17281977.74 13214050.51 16764065.17 16528000.59 14830219.86 10442456.32 9875474.811 15772444.63 21511271.96 37149030.89 6125937.635 14052191.84 12751129.5 12368187.1 14280524.67 15198212.13 29919429.19 9918197.954 14226749.98 7709132.835 16996955.12 17418091.06 9839910.928 11220656.42 14249884.67 17811647.66 18561408.4 6607287.336 12104556.81 12371471.75 12331424.18 19759330.67 12708003.81 26799212.03 23449310.4 20120496.89 5801668.011 12146157.58 26452732.02 12186382.21 29173286.34 16686500.13 8591381.776 12005397.26 13652801.49 9197613.301 19793081.73 12804696.04 16811225.23 8802266.985 13076682.92 10692144.87 139019.2286 117651.5413 10984893.4 9989276.347 16971391.35 18202738.57 21170969.18 13342123.57 27889427.74 11107839.95 10349121.16 12417498.89 12650029.62 14715045.9 25038907.36 20469537.8 21118705.26 18069020.44 15491117.37 16338940.91 12685113.97 9911266.102 9362778.432 8983865.36 10041962.36 7788480.166 27464386.63 28699490.09 15360351.75 16045878.18 8544117.66 25291862.21 18922483.18 12590425.31 37724734.86 11483112.63 11351776.04 13618004.8 11983931.69 40590959.34 14748396.67 24271982.87 21494677.32 13795892.71 10590339.78 20941712.83 37913636.17 15697973.38 15904389.49 41825359.51 27971311.23 16641747.9 14813914.15 18398594.86 14072616.15 13167223.23 35345794.44 28829161.2 18001455.57 28901332.08 13627088.79 25557453.28 19191988.49 15401563.55 43554031.58 16386189.92 12682677.89 20987543.25 22634908.42 22533978.83 8991673.674 16250322.39 22207241.79 15386891.79 13990810.5 15606658.33 121154.8982 114330.4229 119149.7213 129884.4748 121559.7497 Homocysteine 162106.12 16670933.52 11223637.61 12992287.54 14139400.24 8837302.53 15631863.83 7894663.857 9553287.299 18416359.99 15299521.74 12228187.75 7734120.491 22332167.26 8794707.017 7992525.61 15238980.37 22164189.1 23826294.47 26512211.42 12354330.2 6273962.145 16816369.44 6844193.642 15353198.08 11258450.2 13812001.35 17578971.94 10236312.18 10366628.1 8302232.707 9008581.98 17865704.06 7310356.682 19337279.73 9693848.344 10826528.97 6568442.578 5967989.545 9532641.826 5768113.446 6603178.65 10390025.78 3514118.345 5110339.334 7503249.696 7919734.84 8982873.623 6677780.293 9691802.022 28835118.86 33652962.33 4935649.641 18904427.51 11758003.94 6626909.723 11359675.48 8609545.223 21873445.61 6405394.773 5426455.546 23493027.3 20452412.68 6219649.612 7739581.488 48323104.54 16842963.05 38615046.24 7463259.665 11412475.09 17085121.75 5591267.882 7064722.198 5321304.297 9788181.083 17826085.18 8818062.894 28419303.29 5804646.165 12352987.24 14109160.32 7561310.394 11918431.87 10938641.04 5389939.579 17807005.93 9503560.528 12596562.98 10636240.62 32493658.86 18486988.67 9722297.427 25149677.99 5975176.001 6794258.794 139817.7107 138163.412 4874320.482 5848962.714 7066057.016 16898646.89 9802723.016 11163195.7 14853651.41 37459819.22 8603170.042 14893737.34 7161578.739 7572665.94 4278845.373 13249282.39 5139256.853 16064192.39 12087932.76 16571413.2 5969694.892 7212968.023 20059047.11 11175297.35 16485405.75 4423023.823 5577166.768 4598529.156 9149457.938 15268984.12 18022899.83 6545183.711 13744370.99 8044628.231 15908838.36 7011489.04 4896487.266 6675455.015 6758885.916 11914664.73 9078973.06 8486868.849 31366610 9849675.768 12052203.95 40253702.66 9704814.156 11127625.16 10993376.05 14631616.78 11499578.8 9182800.574 14529779.13 46478517.03 6045704.681 7804591.618 11127429.15 13167077.06 10040022 15252179.38 9429956.672 8486343.838 17711213.01 40686541.19 15766951.94 19096081.83 17518811.62 6881707.117 13318210.09 16195206.31 6190799.614 11916328.97 5997081.608 6880933.674 8226145.558 12480752.8 132745.8096 134877.9224 131394.4502 113422.7069 125845.5097 Hypoglycin A 153720.3572 2348822.685 1877592.558 1523050.339 6783870.467 1292804.324 1166066.209 6372423.975 1321499.432 185011.3653 1372289.005 437835.1046 241382.1904 298454.8627 305007.0415 5635296.276 773190.3122 3433753.639 407914.1867 890001.0493 1082753.981 2431235.548 5684299.075 8770446.051 7931543.903 1933962.748 1621708.323 530285.3854 1424263.109 759256.5291 1624119.483 759973.6884 1103188.829 250388.9032 1325581.793 984546.565 3027410.188 11180092.07 1613758.549 2241145.346 1098299.669 6981702.062 654445.5374 10377387.98 1193263.055 316649.0598 2746730.157 1578327.402 2289133.08 1544911.054 1491989.12 4234013.557 344816.6009 1549254.689 1952373.719 1308007.388 940925.3795 356620.3733 5590787.946 1954552.197 761445.9882 1179316.546 1847410.753 218826.9689 2217868.442 261301.7394 1929854.391 2347843.752 682343.8886 6381759.811 523837.3869 1787938.879 1284353.993 8690803.225 2206892.681 606817.2809 382591.4617 3097033.479 1071048.466 8552170.774 205969.0064 216228.9205 1940073.104 293643.9068 1665879.062 1222695.084 1218709.562 242661.038 1613926.356 374696.3751 325690.1068 656559.127 6262542.147 1803057.131 1801221.119 144696.3629 121663.414 2184409.661 1718396.748 5205957.254 532735.6068 764313.3905 2652106.419 262491.3755 25965234.79 2701582.136 1307260.545 3491545.654 4162733.29 262275.0457 1580821.757 10753285.48 210145.9835 1927261.022 7988991.86 2747028.651 1702138.701 428109.8366 6196223.124 5524428.969 1695043.647 288859.1186 1890439.05 556382.8217 618562.1774 1417303.15 13754768.84 295197.1433 5148225.621 7590722.713 228645.9755 9604346.223 2835053.781 1680163.924 16677999.32 3907912.395 11100697.68 7426031.736 790989.5394 29645014.45 253089.7201 285440.3437 6072152.786 1690352.206 6250435.183 2909316.488 4006075.22 5859915.526 2715170.082 2596028.833 3283606.555 931380.2824 359193.46 318024.6475 6969422.829 4581133.499 2016820.832 7446241.066 6523229.705 284970.6706 276265.7262 3019560.501 5402187.22 3653327.318 10864486.63 2883440.6 1805194.105 329886.1678 1482819.716 7352481.724 8466264.089 139959.1021 141239.3091 139763.2025 133374.593 124203.9719 Hypoxanthine 262581.688 1192228.137 3597956.407 8052424.396 137897810.6 78858839.44 47417382.03 14649803.51 143222063.2 153955930.1 180925717.2 75930470.62 64058161.54 206151977.7 173230830.8 30663205.87 390594160.5 3585881.726 52140499.48 83079296.25 91246454.94 12173775.37 85945318.52 6646556.929 32755911.72 4239409.011 8954618.104 336860063.9 67680464.89 6578445.295 22142548 320404934 318286564.4 14319610.69 521827326.9 125993266.1 137389381 40040950.51 19274112.43 20240652.93 19112903.7 8717612.968 245527700.2 86696570.31 7259282.071 27050718.49 74153798.13 42875336.26 4263882.112 8094026.465 52823190.68 789916610.6 5678927.717 7053790.281 20523881.35 325958698.8 234396119.2 98213173.2 29624952.73 56849441.94 22732207.47 38678557.82 202962581 42902670 168428690.3 347142976.7 54548473.21 6203903.395 156942306.3 230814222.7 180630964.8 4654686.637 11213085.19 32491063.1 10240942.35 38108438.73 142887406.4 5007520.538 18263332.28 109515486.9 101610081.6 133634247.4 12934738.72 35227313.96 32662736.15 40328996.01 48182014.38 49345905.58 76579720.23 12800735.66 207886118.3 251640502.1 83566141.29 4988856.142 10360778.41 267363.9054 297761.907 4545501.251 8945914.505 164678018.5 141742792.9 85079743.96 22486286.52 20537979.93 105428854.5 265578048.3 161956311.9 510792212.4 11257033.33 110193796.5 345332466.3 147323991.7 53598204.35 88051388.96 315583843.8 6513269.807 11524731.43 44827808.61 24178752.31 315492652.1 21033808.17 64307329.09 64598460.81 481672550.1 24497029.48 12146168.21 42719052.57 115718885.6 157402772.6 282245996.7 21319191.58 18590590.58 5532201.502 11844299.27 94279122.33 591820143.4 20346515.94 799193280.9 223827582.1 54230712.99 25414020.72 254144751 51788396.77 12923063.33 72256563.1 257436670.8 120904606.2 133937111.9 60701082.53 6276383.496 13040021.29 79378282.27 63721174.73 83445048.71 125950019.2 104906684.3 26986571.18 132103668.9 172449603 16936365.25 284989034.3 99779421.61 35543832.57 189532184 100263072.6 136098050.5 15936705.54 283946388.8 5679483.57 11814339.76 3776898.296 295101.962 308100.0476 276824.082 250351.6869 259506.1259 ImDKP 223400.5908 165682289.9 132294233.5 158291394.6 259434159.9 194025377.1 199514104 185927855.9 114108079.6 165504409.2 207468023.6 161882538.7 198660468.2 229655825.3 303641534.8 171490184.2 422973136.2 210844832.9 169270815.8 208841440.4 133263580.5 165595361.8 174779099.5 274972885.2 206558659.4 136927461.2 171162376.2 213062185.9 203341514.9 305823265.2 136685494.3 323680404.1 115557489.7 262501431.9 264611849.2 204406683.3 267974093.1 232655588.7 174327406.4 199767085 214807936.3 203506884.2 240396245.3 230552567.2 230480762.8 176197712.4 179580880.9 139553112 129263618.7 146099605.9 133124362.6 388352758.2 153730055.4 214958171.8 157702673 234967840.7 273924308.7 252643718.4 186677356.9 148708576.9 304107962.1 221179084 217343010.8 186682970.3 170179451.1 261548128.8 191399031.1 237952066.6 68774028.33 154102064.4 221928283.1 115197773.5 143975602.4 119515137.4 132723930.7 208782031.8 130421139.3 139517885.9 143784599.7 308985167.7 110522267.7 123533583.1 158118729 86174784.64 65019945.4 131063002.9 81997266.01 163085033.1 129061648.2 148654154.1 129352699 225945861.2 123112768.6 112099677 129902557.2 245314.104 230565.9355 102410483.2 122327922.8 108981907.7 159073699.4 149560646.9 136674927.4 143729931.4 45970464.22 116359887.9 236564183.6 135889989.2 128945459 164304718.3 149029254.1 102453120.3 137681499.1 132217420.2 114891470.4 136044643 137256922.8 104529324.3 134433256.4 165874657.6 203733861.1 99911070.98 152528813 137470024.6 92740575.44 137201922.6 54912072.21 88356456.61 175029769.4 276709880.3 142081356.6 99542856.73 125258231.1 138917335.8 72507249.5 141945608.3 133988496.9 243204728.7 84958620.36 97143946.92 47140366.65 157940096.4 155802002.8 86232933.66 85427467.53 147720111.7 165894040 144125546.7 167553160.1 132726142.9 160388895.9 244745042.6 45538374.76 106039761.2 131448850.6 130770453.2 178488532.7 137938795.9 174603923.8 176476182.6 225547217 149170565.2 79757194.99 80105445.23 137323235 126424482 187798449.6 108303993.4 108833737.7 172940066.2 182847902.2 232439.0052 256825.3184 300730.9489 266339.6088 248640.618 Imidazol-5-yl-pyruvate 140271.2047 1760888.374 1521098.36 1774034.74 2355038.763 1942801.979 1913915.192 3159547.441 1810780.94 2078861.503 2540979.797 1696689.756 1825548.217 2464952.016 2452365.882 2027331.305 4228074.262 3720915.269 2216731.84 2946531.779 1714460.387 1874962.385 2311366.856 3223466.267 2459006.269 1640647.044 1947813.527 2167516.82 2496969.31 2988111.463 2408518.908 3454624.166 2700532.451 3435426.956 2698989.813 1858424.774 2169390.976 3676508.943 2732376.947 2212367.116 2428120.787 3195572.96 2306425.908 3209456.575 2645506.91 3078027.762 1830126.757 2367852.679 1546989.586 1989489.918 2104243.528 2433041.087 1454991.631 3629793.289 2655942.242 4233978.285 4489487.668 3859987.793 2351649.34 2355438.113 3194269.804 2094872.474 3576586.594 2005023.119 2006606.499 2421503.656 1810121.781 3239301.98 1522790.94 2338801.123 3862841.975 1428520.631 1962388.167 1934702.002 2294680.185 1831591.221 2556334.664 2279375.137 2054430.566 2572270.289 1734314.301 1950217.859 2431429.316 1887637.633 2012319.479 1591961.704 1562413.166 1636048.327 2208901.392 2350311.762 2145343.983 2415500.521 2772137.322 1521489.283 1693611.739 130926.5404 130955.2947 1489279.066 878107.662 2247003.41 1247112.104 2110022.21 2151292.32 1869386.273 2219755.47 2153491.027 1220014.638 1652791.833 1939217.429 2637666.735 1777014.124 2178106.743 2173866.469 2119692.941 2054080.307 1732186.625 1653221.139 1317016.161 1932189.951 2401549.161 2377996.445 1353774.776 2028122.602 1692411.7 1962471.304 1674847.003 2855212.26 914556.3571 2085652.947 2171736.533 1161416.817 1558479.778 1510734.019 1707450.362 1953268.836 2729531.427 2263202.554 2642409.711 2033143.185 1799737.441 1472180.409 1544288.02 2521353.552 1820998.647 1244915.834 1833297.328 2959820.306 2627142.544 2022113.906 1370589.296 1697053.662 2197590.76 1294976.907 1889037.058 709723.7074 2409820.766 1993159.472 1905488.396 2122605.944 1407807.852 1939424.861 1742914.613 1933348.613 1900736.008 2065107.962 2205759.59 1442016.297 1051269.287 304526.0201 1359302.876 1716311.23 120095.6565 115376.5784 148541.4398 120872.4773 135058.9932 Imiprothrin 94432.14237 1252885.143 1446609.926 1804912.416 649226.1682 570417.1677 905199.4419 2724915.906 3269337.613 1129208.117 1533126.561 588017.9315 1229858.69 2488462.986 562215.0519 934123.1914 245886.0164 1719793.336 683948.3894 852705.8783 2167703.642 1570210.173 569381.4137 573751.5118 867297.6976 1816469.736 2068865.964 1290673.229 2392334.976 1667204.615 1466257.645 594574.7742 735256.01 320562.3013 763936.5014 1065022.869 1970896.693 912867.6726 751741.1151 2062404.434 2837373.791 1009146.952 3927036.968 1024102.869 1232511.809 1585786.257 479195.8006 582065.0032 1825102.892 2225435.349 626866.3254 1135447.617 965430.2543 5475839.865 818663.2077 1113058.936 1683722.313 1303125.737 1534911.663 1752941.36 669549.875 816674.1676 3071454.738 240403.7388 739798.9354 3400719.336 1600202.203 733848.1916 2205933.724 2980322.928 2513925.673 1975127.612 2710916.849 2543481.072 1164967.495 164239.7792 1709163.277 706279.2857 1244950.034 437550.1873 749165.8166 668054.2519 1236679.091 688536.601 1239776.918 951342.4972 2121377.427 408813.4375 915044.8006 871602.0132 211037.5058 1776205.739 1405523.077 2053264.435 2331224.74 89598.84786 74525.03469 1816164.554 2178016.845 484657.8165 444058.7598 1236011.704 1815683.678 1937801.154 1775767.122 613493.8434 253103.7649 1166922.269 146930.0121 597230.1747 1800154.457 1016597.674 1621875.824 1100444.204 1549466.241 3230741.309 2813927.215 405232.3149 129321.4642 834019.9495 1293237.108 1582365.987 11091135.36 1082696.101 1411465.605 1554718.179 460425.6548 714847.9554 1916571.413 602068.1921 882854.1228 977700.3209 2999828.344 3228634.344 754460.6012 2637529.984 2244820.774 979099.5783 688963.3177 808503.6831 3762196.75 9421558.627 2079653.287 1344750.856 2491350.036 3534774.768 4286794.056 1707198.955 477254.3624 2785771.468 3679459.643 3032510.986 1565140.209 181049.8568 1861529.132 461537.6848 530650.7127 1121218.16 2739825.489 3340427.963 2636175.999 173380.174 481704.9342 648502.8379 1094263.445 723242.1589 1167144.713 8778468.118 3299633.864 3853898.463 3540888.067 83661.49627 95286.57924 74636.61469 85103.30903 74775.34018 Indole1 649513.1437 12314704.96 13013597.56 12376034.06 15889068.94 15052442 9618095.207 12386674.58 13398015.82 10358345.62 15458228.68 13564264.39 17190225.16 25311982.76 14037591.56 17426060.83 8840754.342 15022480.54 6996017.652 16841291.37 18225239.13 17450569.94 18691364.52 16506261.22 18877807.62 15214059.53 14549459.49 14802988.29 9235338.804 13836366.21 23487421.85 15287152.88 17492166.65 19574829.31 20788487.14 22958700.55 14587224.72 15658827.07 13152414.75 17687585.52 16653265.64 14971129.46 16417657.4 20384385.05 18147882.87 25074326.74 16405500.97 23459423.71 15449892.58 13932399.89 20243372.28 14753784.31 19690930.23 15278363.08 13468263.89 20785720.96 20143411.32 14660341.23 20665666.59 28532552.19 19130664.87 17126239.63 14409462.59 18073833.7 19233067.03 14042972.01 16946861.82 14797758.09 19395589.87 21435087.92 13313682.57 15498559.77 15704057 19579799.42 13498077.53 20149137.66 25141041.01 16302769.24 22263581.95 17622599.72 11732287.22 19784495.18 16840317.05 21255810.76 19113299.52 12768091.08 14458863.68 16733407.74 20145673.52 19275205.29 11875618.78 24473417.22 15264167.57 15280438.57 15109481.4 247712.261 514023.1231 14588404.12 13601339.64 17902110.48 17541742.74 19523839.04 16176636.12 19284154.5 20041090.59 12263736.13 21140988.76 18204048.47 16056316.58 13412899.75 19879123.18 22595926.7 15430990.39 9260834.519 17941837.81 19078391.86 14420537.57 20099293.61 18143249.79 17955254.68 16634325.29 17409064.73 18057183.61 15938989.56 23176671.45 17001945.97 19660136.9 18831380.8 18240345 23517318.29 18435143.53 16474840.35 16314362.28 14352435.94 20991187.13 25951404 19945247.6 16916193.52 17678871.41 20416310.46 18564361.71 22221574.88 20394832.64 18495813.27 20545321.05 16549712.37 18602768.2 22401637.46 16270898.63 17100860.4 14768999.24 23086248.72 19668035.29 18071086.95 19761147.26 22439351.29 15153065.96 21760593.76 19308714.59 19605706.81 16619397.93 17695775.44 15742512.5 18810364.41 17794188.08 13802694.63 18835962.25 20211875.63 15901721.67 16588784.99 15594264.25 321968.5682 772728.2655 492921.8039 92077.17287 433847.3358 Indole2 330769.0131 12750008.57 13691456.67 13611782.67 15664679.03 15327310.66 10971883.81 18180567.83 11103560.59 12208482.54 16428260.13 14176463.59 13873212.84 19082459.44 12799030.32 19199595.69 28934375.16 19160675.45 9297919.691 14822180.71 16029865.27 15519129.76 17299644.76 19545839.44 15197307.43 15979907.96 16041338.72 13261565.61 13150429.95 16057830.05 24996117.79 19063925.82 16561887.35 16688463.07 18628849.96 16486701.34 14149104.63 16672196.48 16021058.99 16279355.97 14806207.45 13358811.71 13408446.59 19588207.78 13845497.91 19473979.68 17231531.74 17189063.46 17572845.85 15500875.11 18166202.74 12360620.65 13949662.85 15331858.99 12154077.38 21442123.42 21417896.26 19519918.72 16017304.42 18309218.57 19049906.59 15493646.78 23136972.84 13752057.52 19449226.61 11372685.91 17585005.03 19460635.33 19932123.83 16854997.75 15677389.96 16860625.84 18857895.6 20338066.66 14186185.78 13428221.54 23589609.08 21628337.24 18172554.89 15983022.65 10504762.33 18140673.27 17681697.08 28118992.93 21080584.43 10244355.39 13915470.01 15701096 17535904.94 16385089.66 12289011.5 19456788.41 12867896.31 18344799.37 17685168.19 837971.428 532948.3084 17536913.64 16621877.64 19721301.64 16440332.04 16448904.54 18981346.58 18591251.38 18686506.8 16891613.11 17755038.84 14802845.17 15393291.02 19811346.32 25288938.54 20623535.87 15422319.01 11326928.83 15992287.06 22966744.67 18005811.58 24725286.77 20953505.08 15908249.8 17714915.15 19350092.07 23312829.47 15739284.71 21805115.32 17351381.04 17044704 17907231.08 18246867.65 20483846.54 19181699.84 22059069.14 20610451.43 20775554.59 19545470.24 25477976.09 22184878.2 17606802.03 19147299.81 21619391.07 17584979.14 20208077.99 19950843.97 14530435.99 26922435.88 17447016.97 16720055.31 19736399.27 18110705.23 20889971.51 21703853.81 23891240.46 21438260.49 19829862.26 21760115.67 16670897.33 20351657 24121978.62 21944498.34 16175594.91 17642092.1 21062436.01 20027963.31 21765496.9 17235133.71 17170863.73 18674977.33 18381403.96 20742352.8 20479011.65 22132783.42 169318.0668 772728.2655 101014.9336 384446.4349 1013929.658 Indole3 1969851.192 4099311.184 6582431.918 10499609.97 5545491.68 4045724.61 3916851.708 8530286.267 3734435.252 2986725.671 7548164.374 2974691.789 3649941.982 1108608.365 4790716.454 4173594.459 6968114.196 9456078.717 5870149.505 3594397.585 8382679.223 6711812.053 5859515.036 3458956.49 9352425.956 2910706.375 9350447.555 887805.8385 3663782.718 6628039.02 4466775.89 2661180.889 6155484.421 14631488.81 6656573.387 3748448.787 5407283.771 10139469.18 954648.8319 6038057.065 4559904.521 15722314.87 4171348.617 4533074.263 3809576.576 17919103.26 17665523.31 3743406.762 5507489.474 7011648.985 10696670.75 7414553.71 16961000.52 8841213.821 5022261.6 3095058.503 6355829.553 5895935.647 7085484.83 4066546.511 4965451.597 2461741.637 3650331.477 15716715.37 10674257.44 8077045.115 3887373.154 10385490.03 2138942.266 3875068.67 4304741.14 9989224.725 8090364.862 1480835.799 9317696.158 4066112.197 3458799.93 4714778.236 15258508.04 13619925.99 6641274.879 2544514.136 3432705.294 7255310.486 3802437.561 4296768.708 3849349.049 4054726.277 5484848.5 10687691.35 3532939.525 3530297.99 4045804.522 9118698.743 11266626.31 2671743.451 1406887.446 22119452.34 7488980.384 4286203.785 2072180.572 3314050.805 4352701.618 4615753.474 3859835.416 1631351.51 3868244.16 8859577.141 2304451.873 8477800.639 5280447.536 17202862.91 13761325.96 4360152.02 12560755.4 8434190.387 9106654.339 4314774.855 4788526.132 2957542.748 2883144.796 1160470.157 5190210.672 8805133.35 5444928.709 7010298.585 3573315.633 3942524.084 7645058.067 9159415.453 6552916.008 3725143.599 5521336.518 5583550.602 2417452.362 6785604.403 4519551.562 3630520.088 4053431.769 3308840.706 15145368.85 4018567.714 1323265.607 5092344.453 2905057.8 3780858.825 4199059.004 1110965.25 917609.2996 6302153.143 8132043.505 7635162.463 2519465.054 3746624.77 28440464.39 4616471.184 4371867.017 7089273.084 9887783.105 9647967.831 7278060.553 12498252.69 1259788.372 5149685.548 2516085.087 3463944.537 3599645.704 3928613.021 6697593.738 7000315.075 3741675.331 1159335.738 1289940.363 880000.3933 1216252.923 1727256.392 Indoleacrylicacid1 121979.6568 298444754.8 326337430.9 310006999.4 407091654.5 369867571.3 239660660.8 307569350.7 333433361.5 418788.5426 370721816.4 349368682.6 427141300.3 651747396.7 363496892.9 462310491.6 205759150.2 512041.9529 188606212.7 422027456.8 484345049.7 434478278.4 480540668.3 436124432.7 486075225.7 364634303.1 355786569.4 359609093.4 242186176.7 370119332.1 606885995.5 396073570.9 455284305.7 488535835.8 520847998.6 563232072.5 379554887.8 417640645.6 337748023 449809118.1 434061826.4 377684792.6 438573851.1 537565597.9 436523155.6 665751235 439276106.8 583844911.6 337821.8267 352479914.3 500048877.5 393183109.9 512492810.8 383246051.6 340969925.8 540924601.5 522594704.7 374678305.5 526935788.9 753655882.2 509080685.4 455828745.3 375543472.1 449772554.8 483884563.6 362375272.6 441545007 378717865.8 516403136 543777142.1 340012122.8 386494676 397912818.1 500729674.3 355560797.5 539246168.2 657608856.7 413223804.3 591890902.1 456570281.2 325053785.8 521944467.6 428918016.3 562579975.6 501285158.7 334293414 375445821.1 430053014.9 511693480 516144860.3 305709792.8 631282846.4 401246823.2 407795695.7 382511088.1 956445.4079 97340.71283 369309656.1 358661017.1 455013351.3 584419.482 518386919 424881505.9 487996236.1 533629917.3 327002148.4 558425995.5 460878477.8 427995953.6 361337450 528572801.6 567652478.9 401066846 232148979.3 1042370.453 498440251.1 364332069.4 556191268.9 481263731.2 557213.2778 398549.5884 455933403.4 481480195.6 439014617.7 648088486.8 470858308.9 522080431.8 493582786.5 492482205.3 627867522 485063204.7 441811146.1 411103072.5 375217211.5 564198930.5 708662210.1 548624807.3 451350413.8 475715409.9 558771366.9 511369691 603402748.4 543371383.1 496768785.9 548852509.3 448142279.4 517593991.6 597689933.6 438232990.7 453116830.4 407183695.8 647543574.4 526914468.8 487432365.5 511265651.5 619462325.1 404725849.7 611788727.4 525005450.2 557854916.2 459013060.8 480024904.4 816690.6983 486196387.7 488880893.2 366916029.1 513846194.6 549591493.1 429673362.7 424298519.2 430690090.4 85495.11282 89198.44841 95810.33354 86417.62627 94685.3366 Indoleacrylicacid2 83939.06763 9230273.955 8173370.026 8975172.555 1397335.619 10205740.49 3252762.564 14519142.35 2635236.539 3829679.397 17229007.75 333842.5397 351948.7291 903197.3784 39026459.74 7858349.875 4084407.675 10775071.98 11175004.62 3902593.897 613898.7374 60512638.85 17453592.21 3756627.343 48816256.24 10290985.45 11376947.42 355843.0697 2277536.59 19598008.52 19823589.77 16591443.1 21017115.82 2087157.186 2420272.215 27175739.05 6850422.217 2615711.045 13943981.59 2746159.9 15721965.56 34533719.93 42709252.51 25949835.25 3416233.107 3898288.936 29353871.09 15529027.7 9850617.252 10317398.41 4897738.805 15066564.45 3318830.939 37170569.89 7192442.35 13316435.69 7518948.466 5710883.89 106285028 7524070.83 16446833.47 26268239.75 10425105.24 4868192.875 1592419.959 488360.628 5371421.168 17473135.24 5528444.892 40743129 1953946.825 8520566.527 10298903.49 22316426.93 29193932.37 29745818.17 7102974.956 63185557.36 2749364.442 5602844.602 44430920 6751967.426 16709183.7 9715052.088 14505159.1 12496797.04 20862593.79 6674642.539 46571833.58 7858262.999 19360362.17 17207191.42 3927072.632 7964638.338 9246409.28 68203.32407 74420.94426 8342263.66 8815419.989 23631821.65 2222630.828 10694992.04 1143616.061 4967195.102 38893590.49 6245020.659 53902037.36 80933474.1 44296751.43 16265578.52 13393793.76 26570348.47 4035078.916 6084008.181 12294292.84 5115247.492 8547402.723 6197503.28 83099200.73 11066699.78 25018034.75 6818486.466 10228818.44 8220653.102 3924690.554 21204266.53 4137072.289 4063507.807 123072696.7 33509259.38 5457422.518 5803406.17 6073785.127 7911479.006 86070584.19 683248.3241 6143857.803 84689679.33 6143707.565 8813481.706 4600921.576 8148879.534 85866390.97 10427272.9 30653162.56 27601249.27 20021207.93 10546187.63 10993725.37 4579823.746 7243672.85 978250.0357 3034769.933 7150425.242 49229001.98 42868902.82 4270554.541 8456318.359 23036594.24 10031059.54 1768577.799 17842461.86 3762378.139 18306955.27 67922983.16 19789011.66 3480634.325 4172265.433 6317137.194 5661627.83 11274017.97 88174.94332 75845.61309 65490.08087 77956.99643 81738.5623 Inosine 250133.246 311306.8098 934177.1255 2569352.999 46523557.35 27804404.22 15041843.36 3889550.54 50247585.91 54823269.54 65689743.08 26266279.8 22188267.25 71775286.47 61079628.86 8927132.507 139923983.4 490554.7713 17457651.66 28163070.79 30495252.77 3266157.361 27635513.26 2066821.207 8944901.347 1005098.285 2604082.948 119234607.5 21366515.43 2064981.356 6486162.67 113559697.9 113539958.7 3190330.152 185762571.9 41458421.28 47124599.98 11967455.26 5144484.036 5172475.381 5505598.024 2094069.825 84362380.7 28392239.6 1874149.015 8321430.385 23546177.72 14027021.77 918749.6347 2534504.72 17327711.69 279662895.8 1529565.054 1625938.228 6284438.537 112601269.9 80343493.5 32945203.41 9016199.586 17819813.1 6563979.156 12298789.21 72259087.43 13977390.27 60199496.68 124126431.7 17710871.9 1669892.684 56835143.26 84395758.63 65983161.72 950209.8744 2987068.387 9560142.507 2003986.685 11930312.76 49955051.75 655991.5932 5860502.909 36169357.67 34525148.6 47900858.76 3839185.786 7295753.672 10082377.27 13621839.18 14926996.72 15753753.95 25464548.14 3407215.317 69501534.74 91483798.49 28178676.95 1040334.983 2595141.318 254688.7487 257905.737 957366.3887 2374961.019 58303744.2 49657259.71 30015264.58 7227157.077 5993265.017 37898778.71 91607884.58 58563996.82 184560016.6 3063119.631 38820934.33 125580818 53935943.1 16853330.96 29952168.09 109597464.3 1276154.298 2962161.904 12914320.04 7510491.923 110940608.9 6663683.638 19795891.2 21904351.46 172918478.6 6327640.079 3402679.975 14446820.5 39485076.75 54202211.89 102129698.7 6231714.162 5316956.458 1209556.629 3081618.002 34713436.78 213395476.5 5970387.018 286482389.1 77314409.16 17433619.83 7240897.489 93762978.17 17031505.48 3610029.084 24712719.38 95571399.44 44057860.54 43516921.49 19806066.56 1235353.608 3334761.047 25398256.43 21232550 28298347.08 43741504.43 36603638.16 7793512.647 44561566.15 60015076.72 5160693.808 88762314.97 33238493.02 10782131.52 64419486.76 32707628.2 45313501.45 4708504.768 101158063.2 1151817.298 3243758.357 265259.2319 281111.8027 293493.6765 263700.4383 238483.0434 236225.1195 Ipronidazole 837465.2768 91886238.28 111216506.7 135695592.2 92232030.31 92590455.39 106798230.2 255893362.9 55812615.36 76572246.2 235053255.3 169495881.9 69282041.38 209842588.5 130981827.3 460142272.9 375942231.7 170198596.5 152773941.5 122572961.9 125169732.5 199420263.7 397665982.6 313358666.1 220520768.3 123417447.7 156413692.4 128297086 139954717.9 634111140.2 150912226.5 193967635.8 169859323.5 284988265.2 324257336.8 93870674.92 215761064 114547005.5 94889635.7 227621021.8 224343569.4 178289096 126452684.8 450741774.8 138816086.5 476746989.8 62651265.05 198430669.4 132808982.9 161468871.4 129542420.2 129783266 90905378.77 151828483.6 152696326.2 663365820.5 851540226.1 100635299.1 123975331.8 211643413.9 174554723.6 410911792.5 167140285 93129704.28 189339039.4 216378503.4 107328907.2 270206195.1 148776566.3 531843717.8 106939492.8 147818278.1 206559399.9 298282515.7 205612685.9 146336260.2 171838124.6 59064919.7 78790760.95 171245928.4 49667757.82 65863681.16 153460257.5 62069451.67 164910989.3 145007057.7 87043560.6 111777320.7 99906846.7 135235636.3 150477229.1 100271246.6 97052981.48 164666323.5 194140802.3 805778.2771 132994.9093 142896756.2 174529051.9 66781214.52 97045559.82 79891354.25 383539391.5 322340815.6 254848127.6 143369604.3 306420446.9 52411092.15 145138212.7 213895545 213394692 84382982.77 201970756.6 174865808.1 539243621.8 173721706.4 186694037.9 74508778.2 74036169.04 158591843.3 317634431.6 62807708.99 183650101.5 95325212.28 208397464.3 151537386.6 160193049 147869055.5 112258261 406962020 79062781.36 62458359.61 178093366 226802240.1 158235344.9 216212211.8 143950839.3 94943678.18 164587334.4 65203031.48 101857024.2 224081911.4 555066482.7 85074328.24 130448249 57420302.55 401677669.5 309223963.6 430845440.5 187403077.6 243725653.3 226162454.2 110572037.9 161135901.2 275622319.5 284356579.6 235239602.6 925431459.6 143047202.8 158734477.3 178003151.9 101817425.3 239175097.8 246637323.9 64916875.28 138945049.9 160942751.6 207579390.3 208248521.7 262394219 193021841 328729.6212 138120.4936 123605.5883 145449.3205 130288.9003 Isopropalin 67178.84429 16252270.08 7545922.825 11418055.66 7539418.224 14015528.73 17096295.33 56336589.5 21105837.88 9078573.064 15951667.58 4577818.372 6334102.302 13890521.7 13468858.05 23699570.37 40788952.23 55030100.51 17427651.62 24998181.27 8219379.743 17935561.05 15415492.07 5627025.142 27894369.28 6539773.076 9453606.619 3048118.428 43109546.45 11261176.66 11252524.02 11601816.88 18352879.36 8712042.251 25237117.02 935011.2331 11669314.27 14884500.81 5793554.987 8045711.048 12464102.16 20923093.47 14832331.3 14471319.75 15763417.51 8572154.291 1008817.479 14797521.29 6819599.945 10313019.62 6802400.498 13904683.39 7285034.75 44911551.71 10724607.56 43541344.06 27040782.7 19187132.44 32667475.23 2228546.097 18525009.05 4069329.7 12682960.6 5041410.051 4654148.854 9846112.757 2550975.202 9040408.22 10196831.57 10891478.57 31057511.6 5188390.31 12414029.59 22243790.64 12255076.43 9015170.481 3653821.129 4454480.834 7599338.481 4968570.078 15103867 9640541.389 4053038.81 3789607.401 5857821.868 12659238.79 4447470.74 7527460.867 11472514.21 4678889.405 4599204.485 16521305.06 2926314.259 6052428.153 10138035.64 91276.44155 76113.81157 7217313.745 9532052.121 26072803.81 757082.9387 620824.5213 19907373.48 34428317.37 12518934.94 14537975.04 17762862.47 26697589.45 2039135.3 22300134.41 7428302.631 13537470.59 15046170.95 29200688.99 12446709.64 6881849.074 10910034 13809499.78 21731729.05 14850177.33 7597552.836 3727866.178 11914272.4 14974592.79 11414238.6 3717451.926 5968517.465 2844026.945 11523716.53 11305348.19 8446206.808 3808762.796 6443729.513 10569063.86 952378.6344 5299938.864 7861930.491 6749138.562 12135821.67 9832402.802 5336843.488 5156695.734 17623629.43 19147773.58 6557652.777 10280904.75 12506755.29 4493738.696 2810507.962 5241350.371 11091569.63 1412415.76 2813361.712 13945385.64 22183126.34 9769287.419 12202225.11 7528543.57 2256622.006 5122007.938 11118762.76 6599464.491 3107442.38 3740042.735 1819175.405 4440231.844 3528148.461 14058562.02 6271734.009 11445316.03 9622259.175 90496.52963 95190.476 85431.15861 84866.14077 86691.18935 Isoquinoline 132777.2987 1818873.647 2534826.456 2281575.085 2171470.462 2234644.231 590782.8036 1741130.782 758860.2406 1692457.323 2420082.31 2074177.068 2535933.076 4188409.733 2194298.174 2899169.845 1194723.454 2343965.725 986051.0767 2543528 2962472.335 2926159.508 2823155.751 2562578.198 1291300.915 2623250.635 2600388.62 2134689.965 1181761.45 2266083.301 3759637.742 2332760.86 2786456.753 2960903.882 3064269.099 3461945.952 2369614.054 2455064.223 2108811.185 2552131.185 2581614.507 2422802.71 2531842.749 3427958.436 2499916.1 3372288.437 2792672.775 3531552.859 2830828.19 2405843.589 3191372.512 2755761.847 2961484.48 2294408.123 2217444.772 3096648.77 3261179.519 2232580.052 2151318.674 4325138.566 3286100.304 2761093.213 2677067.514 2891542.066 2888426.343 2134639.178 2513113.191 2179277.403 3232334.452 3444068.218 2127825.864 3028524.635 3071438.036 3000282.291 2233221.947 3296854.345 3816469.865 2597592.892 3978234.7 2826571.965 987766.0907 3271330.763 2511777.345 3391868.335 2999531.388 1955139.849 2356646.364 2793949.447 3126033.987 3008898.334 1887373.13 3972576.659 2466931.183 3337598.712 3128643.965 105182.103 105957.3148 2874738.373 2648545.205 2858805.723 2743017.227 2809547.624 2553674.142 3118314.598 3566331.074 1934994.843 3490813.101 2966687.666 2534368.627 2360881.013 3397205.399 3595571.8 2600374.983 1389275.578 2689397.806 3577292.83 2772132.904 3099138.86 2752000.04 2738323.174 2592583.073 2761499.107 2841096.201 2673586.882 3797484.407 2971629.377 3188396.376 2705110.388 2938895.179 4000841.597 2805240.461 2579263.801 3006503.414 3046454.863 3459443.946 4529541.18 3294876.763 2741293.514 2825415.533 3570510.477 3213154.846 3797880.804 3309070.899 2961072.268 3470562.291 2579907.225 2918955.76 3678558.602 2607747.95 3529486.111 3148746.07 3884754.537 3221036.778 3209720.728 3012956.323 3699755.905 2429114.884 3594396.193 3436644.969 3260662.088 2597790.458 3050708.322 77605.21074 3150336.579 3105007.474 2071298.812 3083086.649 3488974.041 3596504.139 3288489.695 2496243.14 93063.14204 97094.29699 104291.4663 94067.31641 103066.8846 L-2-amino-4-pentynoic acid 167742.564 27355122.3 16620875.54 24074870.92 1495834.691 770919.0841 6658248.182 2554382.114 1093330.353 12992389.41 17728859.07 1331336.917 1217955.763 4442969.018 218045077.1 1968938.816 22953881.73 2409674.207 64113301.46 6122289.543 5909343.494 66092838.05 30271110.05 3241903.586 23910298.17 17546783.88 26211099.75 5070695.503 2520488.632 5472413.201 4607267.867 4451852.841 11599957.81 2556900.865 1736445.551 3507320.862 13026220.88 334664.3415 73162705.46 3067891.546 916321.1775 4314426.565 2382418.749 252111.5023 7721666.276 9122270.164 9626008.123 1359707.636 14507689.46 24027985.84 33376857.28 1155730.911 237985.4631 26966948.54 100019.8213 5555265.895 99358968.06 7337200.156 101754205.6 10560073.05 3923505.691 360256.4609 5928033.137 1312018.992 3073884.988 3821839.942 4985941.466 6419178.334 295079.8466 50437966.83 350071.0818 9837016.644 15723116.28 339847.8701 625664.8048 7712310.391 2126556.349 9799444.403 4460947.989 1449528.513 9114931.479 4561386.958 1177239.051 1266697.178 3253448.608 2604395.573 3787304.464 1028999.256 63617601.14 5435878.852 236019.8457 17814952.79 595034.2746 7297383.868 12051080.05 140142.0539 144067.1191 10309327.3 17826361.21 36902937.74 204671.0962 4239595.608 5369196.329 1607280.666 30813867.04 894223.1915 9663358.243 26564478.72 4053084.98 6453985.036 3870320.201 2223305.015 4569098.558 111809131.8 3304916.463 7451710.617 11264718.86 3588903.527 116766492.5 19007593.18 5715121.699 29384811.46 545726.5147 652386.601 1627648.063 22301939.96 4670657.444 1971216.794 28518681.29 4400117.84 241601.7155 407061.0396 7366145.389 11379271.33 48711530.33 13562227.03 314013.2357 3171742.581 1611385.724 3948572.211 2189211.774 4087504.054 15731886.01 4095226.306 630124.6421 6982244.456 4727219.395 1969510.173 1992296.22 8584852.007 12283519.8 1172937.54 4410070.931 1698835.924 9628251.914 4369998.505 1516362.648 16061095.81 2189515.566 1483067.971 3747139.535 13460882.83 1338594.492 4497521.752 7608865.05 6095747.198 977887.6384 3373219.047 10938080.21 15485817.35 17152402.97 155651.9783 117317.4796 129959.8642 122218.5561 104918.2261 L-Cystine 4971454.121 38768838.46 31921478.34 30932005.48 32366856.38 20278215 8070910.427 17249427.14 36148544.45 24894929.13 80835850 11629205.97 67811080.17 53522884.5 16020498.81 29465197.03 78401783.5 44726728.64 94498896.63 133078674.7 38148210.98 48535122.24 64613534.71 98688625.72 24970120.14 44518287.95 42473846.06 24905464.66 30916752.32 36971220.53 39705971.79 34298776.54 147368664.6 3962350.42 44673876.53 13811378.24 25564210.66 79850925.45 35707428.86 19943202.19 38054569 31329885.16 41428037.12 36253900.74 33311817.02 46781666.91 48826809.08 11541048.79 10706963.57 47593286.08 48318051.76 20343901.49 72870913.59 111471314.8 81087606.18 88581070.85 104297682.1 66715532.17 8709758.837 34585798.49 42688245.73 35763031.66 51601949.2 17796277.45 48085806.06 53767066.47 48169815.43 35524213.27 36436252.3 43845172.96 118223696.8 60150758.75 65104009.26 23036909.43 39712362.72 159605454.5 51744080.33 19073583.68 17865799.4 48461018.1 38111412.67 40382879.48 41862411.28 74920496.6 30091771.44 105501674.2 19542158.75 109580419.1 59342841.4 38470769.14 62437053.97 37544605.89 37045363.62 63226906.67 14564562.85 23439812.77 17431994.87 44568649.64 45134766.76 64002697.84 28439007.26 48569375.66 47029150.56 47073093.26 31085899.41 32382795.52 50658776.18 63002712.36 36255245.53 61094133.05 52111684.76 37070276.39 23938985.84 49738032.56 74025296.75 12256270.28 42746391.91 23468348.84 34772229.52 50144492.76 44790364.41 29319571.74 40567800.69 46376780.66 83968604.57 24668233.66 33687442.62 58979553.86 43219444.19 39749889.58 38715091.18 20259315.89 54385668.73 12363669.54 37734702.01 47141068.83 48774147.45 40538992.09 37260308.98 48252580.23 40543177.1 44431645.63 63747725.64 82290941.51 64514712.07 38663482.15 41436833.42 61793271.64 22185007.83 54267331.65 4140327.202 48594255.56 49174445.11 43277427.36 86615166.89 96768269.52 46230874.89 27988090.67 36104906.92 26063869.17 61233661.42 39650129.17 43844787.02 36880555.5 36061270.73 87386467.44 36528306.64 38925061.67 57199960.09 2571275.349 18845811.61 25615492.57 22252446.79 21965344.26 21058729.99 20701204.46 L-Histidine 10309206.14 567268967.2 602894730.3 570983287 519624089.7 499952283.7 589496928.6 901763754.3 652999793.5 563035988.8 853128327.1 541455004.1 887075813.6 697851148.6 584409957.1 909194092.8 804628289.4 938394914.9 440100214.1 787452980.2 949666544.9 808707231.4 865201422.1 645231138 782134246.5 670121486.1 645898509.8 853448650.6 722045692.5 737733090.8 1101416591 778794190.3 810393889.2 970466602.3 815441754.1 873441313.4 828276069.1 555356539.3 727704571.8 766459762.4 713698099 763409473 962792835.1 818981606.1 856181860.1 698980467.5 806873000.6 961399626.9 731394230.7 658692153.4 944732156.7 868366120.8 756074916.6 709865817.7 694318457.3 1193588222 1077947748 636200008.9 833168255.7 826375674.3 798595578 745290327.2 748175698.8 607178848.3 894163125 588612569.6 867876613.8 942177426.1 921025701.2 768389300.6 748127861.8 794615627.8 804569242.4 697318561.5 871649847.8 992654313.2 1040656579 1074388134 947490506.8 775276082 670359984.1 1064850505 794793230 1091686017 1025555329 752826826.5 744469604.8 994891014.1 983099314.4 969446592.1 880937849.8 913135160.7 973507575.2 862824678.8 764799009.1 12720976.75 3851935.591 759109980.9 698951250.2 1312004065 987391801.4 1045765787 1208507114 1002931156 1231013264 958128605.3 936536999.6 833110135.1 873507677.1 1084604361 908520910.8 1399749988 917140351.7 808539336 1146934310 926184750.6 758140200.6 945466702.5 1104242469 1005467410 949289194 855251340.1 1227788145 943702705.8 1055218098 923644897.8 1566320676 1138615645 1124492504 1164567163 913612996.2 811104087.7 963476704.8 889470086.8 1371480397 1472639026 1402343527 1049297898 1213187826 1307496081 1373133661 1360135542 1175391508 1077963142 1246345706 906386640.8 1154670758 754581570 975453659.9 978577781.3 955163020.9 1509424011 995620247.4 1116571204 1162491981 1320206023 936818150.2 1052337649 1527701182 1226001739 1081080509 1323981515 1333340470 1101763417 987822997 1017630235 8140528241 1029511750 1082204685 1012363418 1187952924 6317136.451 2421818.597 1583626.055 1180069.65 994367.0123 L-Homocitrulline 105597.1851 2102507.164 1351090.559 2086460.914 6703253.948 1213115.927 1345712.409 3715851.755 1985723.312 1813565.49 3925987.552 1686952.332 314649.3157 3690875.577 1447065.395 1813475.127 4927083.557 6896632.331 1652199.52 3156936.562 2339231.486 1864315.069 2741419.461 2252643.611 3101092.216 1590394.492 2311118.1 1016707.638 2495018.348 4323909.03 2448363.929 5496037.191 2695782.052 2087804.477 1961883.728 1118522.676 1963448.812 2954538.169 2323558.975 1346839.888 2526129.312 3221839.11 3784493.459 7108850.865 1301460.924 4049720.294 1435362.659 2296915.012 1385409.37 2273655.397 2274466.893 2720954.825 931414.6344 5629457.642 2374092.323 6176628.57 5730960.377 6087888.176 2116023.971 2025859.916 9090530.135 925659.2414 4873274.864 2559292.46 2299601.142 2896421.166 2022998.181 5919653.931 1867349.788 3105467.808 3965651.688 1492298.825 2667582.762 1995221.223 1985186.551 1799720.825 75517.33079 3143297.433 2676763.508 3454668.501 12140868.3 2669985.121 1973846.912 2196450.203 7126089.587 1141062.096 2505011.994 3050621.064 2996189.409 2684609.109 995042.3849 2518447.799 5697163.079 1541636.863 2580076.417 122517.1766 128014.2322 1476680.793 2378136.661 3862929.928 1642574.119 2277610.402 2891940.377 2404268.305 10162821.8 1871656.024 3212284.955 2542622.658 4391257.118 1901103.448 3744010.105 5988937.015 2164872.15 1766411.056 4431319.261 1881294.77 2513550.114 3578854.592 2387362.823 1490448.885 3851727.627 453600.3955 8331382.587 1468108.638 1973009.029 3940228.435 5195588.179 1471352.721 5793973.252 5572175.376 3493027.104 1446691.805 2047934.837 3295775.429 10539936.52 4243281.404 4717318.812 2323806.824 2045480.336 2960292.652 1843919.751 3033718.487 3774429.86 2100169.739 3464030.874 2861962.763 1050321.373 2834001.376 2809328.549 2007118.281 3664691.413 3144254.98 1715162.863 3103056.587 3965143.852 4410437.208 1692662.184 4287447.022 4629577.465 842669.1902 2495096.672 1962143.885 1549583.656 2074599.179 3162198.245 3637232.978 2106998.891 2311575.987 2417727.658 3634742.755 3982280.688 111631.9175 110667.763 104362.7408 102793.3427 111704.9694 L-Isoleucine1 4632669.744 1254250017 1415803384 1460422115 1398367290 1946041485 930395326 1256236981 1018650959 1159384420 1533928082 1480885287 1814319687 2245398291 1102245560 2034272022 1976130980 1599078204 1195371041 1602101400 1645946737 1295177254 1259430851 1973211271 1326074598 1574614716 1686089435 1202043029 1092243074 2175816702 2319545183 1285706856 1551650121 1852477874 2183391077 1859166068 1644471605 1695419092 1717299136 2093830507 1550187360 1041417434 1565438863 1833885278 1388339310 2516453161 1551533544 1667177694 1644306835 1691055075 1436696560 1452792342 2555299562 1349737187 1323743063 2261728024 2982311359 2638933361 1635061681 1873798674 1679062358 2225047069 1432811368 1153428268 1477844161 1269356814 2165405479 1988303690 2032925855 2349445453 1212405162 1708385805 1986036944 2121299462 1324006573 1252491872 2325700247 1567211758 2004751241 1451667735 960316101.5 1468472120 1774246063 2166174422 2057222158 1088041352 1625316542 1613253051 1601404535 1603735503 2180962922 1831249400 1544025144 1908209531 1927013812 20495168.4 39651328.19 1655667527 1718073699 1927807294 1608494044 2243388678 2084421606 1905004760 1790430079 1571423101 1475669076 1339623593 1938976727 1614774177 2909084992 2021872012 1406137701 1480884025 2132176509 2225725165 2020402205 3445995532 1597283372 1692716923 1574690966 2180875878 1665618418 1237414596 2830347120 1663091549 1650311658 1923113966 2035865656 1869937648 1660701227 1952377988 2146043989 2128228908 2201342150 2490792884 2510541828 2184450138 1786353036 1964584705 1945904609 1986440740 2219539483 1809599905 2699291906 1542541110 2504126450 2609028625 2190746358 2177594601 2418223695 3173930782 2921139188 1908417816 2267743204 1852373165 2003618357 2752394173 2752223586 1969180139 1721859913 2063594072 1680048131 2208303043 1830074726 1463480894 1578872782 2781511177 2326656157 2442639976 2280176321 61548338.76 5149911.667 2675005.485 1558445.269 4823214.311 L-Isoleucine2 1301089.187 624821749.6 630877139.4 729648184.2 634480520.5 873781582.2 564285640 606187880.4 501631486 625976512.4 789841602.9 725074280.1 870180345.9 915995750.3 662965529.7 898505466.3 941720001.2 690553293.1 963397637.2 934368076.1 711310800.1 485859034.7 566221755.1 828241821 638411299 673097639.3 733689423.2 600159014 693491215.6 984950426.2 931546628 686971067.5 680994114.3 920669896.1 982496730 871475401.4 816249500 800486166.6 866887082.5 1003691387 728083590.4 512314717.4 717085623.2 858457860.2 686598448.1 1144670716 750171015.2 756712847.3 712338769.5 760042086.5 692548990.1 983343415.4 1193426463 602344842.3 726742307.3 953753301.5 1102127113 1158253735 749602426 960392925.5 760036566.8 1028409112 740110084.1 650779240.1 672109050.2 756968383.8 933413265.9 923818461.5 804756512.6 902447429.4 686598237.7 753973228.5 863505126 923772912 579630688.7 653157975.9 1001944999 641130843 923847575.3 673315739.5 577282985.9 679234135.8 803720583.5 915764818.6 1049128406 620894516.8 843037991.8 934115261.9 657158336 838939521.5 1208883652 813914120.2 775987882.4 788046768.3 833001245.1 3705390.519 39651328.19 707604983.7 829216694.5 736247723.8 665193653.8 954431612.8 941005302.5 949642546.4 782248034.8 702560460.3 742114201.4 609246117.6 727331839.6 762402147.3 1213514260 790771601.4 705574265.4 709589699.6 997658294.9 945951939.2 900538805.9 1723654796 721940127.3 764641955.5 703034325.5 1082852029 748154492.9 523945276.2 1268164274 630170789.8 704104581.7 858070130.7 805355052.5 836331686.3 761361892.1 593203662.8 909223654.3 972804060.4 899122143 1009190538 1098172552 1165388862 736217210.3 811334044.2 853675407.5 908792639.8 858985051.1 906529143 1076825332 697402896.4 1066848766 1235833423 784822039.4 908897549 1044202578 1371329130 1389445740 637858862.2 957229928.3 877252291.9 856921968.1 1134700198 1145605449 928681326.3 849558105.6 885875344.8 699284424.7 1067797569 862372186.9 604792752.1 669560765.4 1253195174 1001326155 1090940917 1064459681 61548338.76 4446097.518 4298877.364 1457352.222 946431.2995 L-Isoleucine3 9518453.599 36129208.67 86977808.22 91150057.38 81326194.81 107546060.4 41017640.69 90991927.87 66438183.74 46449156.52 80647684.62 47654705.18 83791331.06 60157148.9 32350340.99 54062233.58 50145249.19 222710617 34414093.04 74108795.88 76382969.63 74299935.45 86750512.89 85163031.96 52517012.7 92763500.33 59721793.39 37999866.32 43103009.93 63357409.99 133656573.4 38142244.29 33047135.51 60505594.89 110846217.2 80605973.41 107575874.7 44430533.83 50365508.01 55866804.41 125771518.6 34465822.33 94454975.84 75785300.13 71288107.95 125842318.5 39413234.61 67751336.24 90746637.92 54959348.11 92256676.2 143691054.7 116141479.1 34504314.81 59937198.49 141142011.3 88223787.9 93856784.2 70722607.73 71961270.32 88953970.24 128851904 84551679.46 73260211.89 91848165.55 92969380.8 39925919.94 77407634.19 99770410.24 124330571.1 55617586.85 84602896.89 118009109.3 115408072.2 112350717.5 52459852.34 89771206.82 63668372.79 82397370.9 82443861.34 45516857.2 84424809.41 78055812.84 76374289 82305648.74 53503375.75 69568631.37 71229750.41 80506861.39 67908723.73 99772719.32 97770918.91 82839479.96 97811146.27 104168790.5 9017798.728 7545516.602 79633371.9 98064917.54 70023962.85 61002535.19 86936120.68 104773241.6 80399105.61 97996320.91 93799029.18 89256226.49 145283477.6 93141300.03 59390495.26 109357970 72160216.62 61626248.44 77809069.78 87371025.02 50451916.52 115864537 134191160.6 64952178.28 104671754.3 59895475.42 114205833.2 104293790.3 47418570.91 87577714.4 112631891 91482103.28 73481952.37 75228357.5 73001291.18 64358276.89 113598916.5 103417270.6 116860127.2 83607725.04 153638171.7 88321995.18 98145563.99 119637819.1 75545664.67 75874804.34 94444646.5 149051483.9 72133732.2 136690386.6 87065462.81 168394164.5 108721200.3 100903405.7 102685612.9 119347119.8 173879319.1 133015239.3 69866126.75 84654563.1 69341089.63 93002652.87 68335585.95 114958956.6 72548932.87 69036122.81 112499527.6 34642226.16 66572716.93 75882037.08 57438467.27 60615697.97 120226816.9 138160699.2 133597032.6 49351074.59 9108020.352 7331135.119 32499685.3 6857759.173 30940343.77 L-Kynurenine 110753.9292 11739998.7 10257571.15 11529293.76 13370346.2 18150742.13 7603352.313 22016191.79 11601592.61 11757873.79 14214754.54 14206813.54 15601271.81 17577336.04 12564440.99 17963322.21 17549800.17 41598872.93 8669428.961 22798553.2 20025940.25 11675410.93 19534209.92 23183397.47 16362323.72 11958404.84 12983423.47 9854715.811 10437688.25 18380877.57 26913839.09 20322945.98 15537499.57 20941104.99 34709750.82 20062313.33 18563528.08 21466468.45 16450608.71 18878048.62 15314356.78 21013014.69 13492143.06 31063287.28 18174210.38 24097247.08 19315801.55 18019156.75 12387705.74 13482487.97 21238838.44 12079700.7 10982161.55 18974725.82 18227400.96 30596581.65 34893159.79 21890771.94 15632338.85 28348400.74 17729732.02 25788846.65 50113171.69 14820622.38 16838424.11 16253302.19 20343676.35 21305640.06 17854337.96 18694760.09 24695368.57 12872535.23 15991309.17 18823865.66 15126490.41 20132577.34 28387780.5 21304118.28 24548742.97 15879089.96 10429577.1 19685665.21 18997057.61 17863004.18 23752858.37 9129417.942 14949340.78 16447758.29 20375963.1 20981487.58 19645562.55 22734219.79 16204265.57 14332333.55 14980942.99 91422.42021 86520.67589 12655495.6 14283036.38 25319996.83 12242721.25 15958214.08 25172584.39 21048436.05 23345999.95 11720084.24 27632063.92 18929880.16 13252242.26 13720593.27 20742769.15 27115221.87 12426885.63 13197858.13 20251043.76 17620484.79 17213875.46 19014094.49 15841271.97 22111573.75 22885484.85 21440122.41 18008373.94 14895462.59 28505510.44 13062426.52 16376773.44 16778198.77 21627031.72 19143803.57 21260676.38 28786235.76 16431729.14 17609862.66 25270066.33 20348741.21 29623444.93 21269829.47 17315831.11 20519828.36 14735455.58 24022739.62 18672899.71 28417958.62 23674090.79 12883794.79 19159718.93 32991281.4 14552535.78 15955742.61 19345780.29 28713236.68 16160637.27 48167169.06 23562317.38 24683649.09 15524914.39 25212732.42 37249821.39 21618245.09 18256471.29 28195840.65 17298934.37 19847181.19 22106259.21 11894924.4 13656181.92 15395112.6 17539891.67 19588719.94 21476351.4 91242.89668 101761.463 88272.39687 96095.01623 94372.08404 L-Methionine 186300.7183 13961434.26 7295160.943 8634810.242 17657657.52 12909842.34 17300575.6 29322124.62 12026818.25 7163544.454 10049684.4 9639059.512 6395350.705 17268768.89 12030046.69 12213104.08 11166877.61 36480351.74 11929163.49 11032369.36 12912019.88 16791090.57 17969017.52 11533903.84 28718354.91 7133755.618 7908687.75 4575080.896 11394054.68 31929694.99 26474342.64 9630345.323 24822796.41 7497690.268 23160349.41 5068927.237 5870560.075 14580421.49 12935677.72 8589829.688 6822858.518 13146970.75 8948311.643 15871390.96 11788435.57 13577885.98 9509016.261 10886101.87 6703755.575 7296135.752 11141100.22 12142089.79 9394413.755 25156519.87 17675302 21468001.26 23686879.63 9160502.982 21056197.3 9608208.947 13425193.7 14043687.76 15794538.63 8519195.316 12700283.95 8731457.674 6820987.584 12184097.16 14847808.97 15063597.3 15434998.94 5936316.573 8901873.972 11292516.75 16788156.35 10332076.88 12024255.29 20114230.97 7830338.038 17121992.25 14515379.25 24385729.9 13870297.18 5829486.673 9807717.141 12992219.56 8282361.046 8829583.568 19582028.93 21023382.48 13033708.65 15668899.88 8089584.066 9006258.54 12158299.97 183636.903 176528.7409 7413786.449 7620334.625 16733939.24 10342938.1 11797212.63 11592873.87 10466750.83 10974337.93 11287332.78 14259991.64 20020284.91 13370929.44 8174944.631 12042132.35 32423511.72 4738518.497 12018521.44 19058766.63 8656870.056 10023370.95 10715190.35 31027912.49 13554402.87 14430386.8 7227299.489 14570355.41 6133814.526 16564071.4 13513562.17 21524101.5 5835437.745 16351377.13 32894914.29 15691133.38 12263301.01 12515050.67 13930980.68 21235204.01 22038260.47 12461511.87 13055956.39 6676720.073 28539703.61 13893873.21 7170282.662 21644285.35 17251918.11 21801873.47 32955011.47 30458065.45 17207182.8 26091940.41 13665082.43 16192812.41 17005760.14 13332089 13443746.03 20987925.26 27123394.4 12756029.67 19912234.59 71558463.02 12422670.73 17299367.23 26041953.24 22365372.03 12052025.26 15692273.53 29422723.4 7772904.759 14313652.38 5556530.523 8214675.457 23910005.95 175600.4186 174343.8717 179570.8123 174692.9048 195577.7964 L-Methionine Sulfoxide 153975.6171 7858614.484 13427912.35 16158717.07 4730243.954 7410117.978 4811213.687 8182683.579 6545931.664 6786112.043 8003569.321 4416294.353 6594322.29 6348070.321 7803957.526 8727083.018 11361722.75 14439272.72 6070274.812 11505343.98 10434813.8 7630277.139 10153050.28 5510824.519 6325035.12 15407868.9 17862088.13 7990971.339 8989741.412 9281157.795 12599340.93 7395972.912 8053644.542 16864550.96 11518663.66 8079649.058 8772028.063 5948127.649 7047052.602 9158895.808 12546325.3 7850231.37 7051446.268 8784411.601 6178966.758 6197322.881 11740896.86 7559501.44 15376335.75 17391025.14 5763951.936 7133918.105 5252638.543 6220747.293 7671867.107 8085656.957 8158393.913 10917789.08 6060011.055 19418877.47 8705073.351 8005139.668 10855562.08 5637572.609 7136951.803 4524525.879 6629988.326 10694824.25 7810932.836 7170293.376 6797237.579 15082465.06 17699520.38 7723389.783 8725721.642 10337061.78 11899096.82 10899084.29 6130455.915 6174654.155 6664990.405 6251762.721 6569374.527 23613814.95 13896025.29 5360240.474 9824095.861 5644840.119 6659743.245 8401646.933 9199615.534 8930498.838 11920294.55 15800226.7 16720490.83 931783.8784 135987.8187 13809228.4 16986159.05 6110952.988 6799713.497 6248373.478 7342712.613 13768923.56 8513986.759 10978072.15 8566162.755 5668454.858 8284902.69 6854396.556 6542520.898 9029178.604 12748015.97 7272050.903 9519855.646 15246250.3 16804676.85 9399717.294 7171307.222 4962633.128 6527235.987 20920032.33 9233031.108 5085603.686 11351420.69 5589831.413 9586539.355 7780144.567 6873431.998 8981069.939 7312948.921 5586822.356 16962287.67 20190173.79 7178432.518 11026598.33 8824821.672 7454311.745 7186781.881 7976594.796 8969493.209 9115524.784 9059174.494 8164878.768 14690534.26 7414359.141 5402660.589 11091063.86 6005995.922 18204765.52 19595817.16 14489640.07 5618220.639 9145156.405 7701024.858 7891622.313 10238284.42 10989587.31 15478799.44 10484259.4 9308574.396 8723766.469 9770134.656 9339099.569 5768842.001 5126323.153 6884993.213 5681761.725 19643404.76 22225398.24 13393551 127311.2725 152489.0185 129178.4434 130077.4776 154156.878 L-Octanoylcarnitine 121729.6783 31420622.33 19081094.17 19907939.58 56997811.47 39318235.99 38706200.59 84116780.05 38064569.79 83507593.2 50150210.71 66274851.36 73621982.16 63197564.59 194229053.9 31479866.7 21563479.91 43705643 38096770.2 108726904 105082258.9 51743266.79 103075571.5 76499650.7 139680613.5 20878918.08 23444704.63 312867047.2 55513024.27 63654486.26 34959738.1 57000338.49 64484818.59 78336025.5 53545837.13 42964656.89 149588509.7 52621776.53 53076968.13 187348488.6 93991919.99 53871163.61 57531218.16 52404010.21 36552031.48 69696103.41 69124227.58 37586535.05 22779517.04 23297937.12 62250919.19 20078008.58 31212578.24 134401013.4 84925161.39 101424117.9 90438275.19 71727452.09 69272719.72 43654880.85 112778290.1 120942376.3 104797060.7 98486890.87 40035916.16 100989980.9 49649789.42 53440900.2 154352729.5 30609866.92 157052013.1 19236081.9 24165514.31 71586400.52 24502245.05 60674239.16 97081946.49 15755013.18 39234504.31 81262472.83 51221515.64 69843563.59 34756660.45 20311866.14 23689037.49 104918417.5 74089866.71 110305541.7 110984947.4 43182055.87 90439692.29 58934439.34 47271140.73 21067369.49 22303933.03 110239.6189 105130.5995 17222391.15 18004577.17 39919480.75 75476293.71 124653203.9 57380832.06 88143418.82 29806716.17 98754578.06 38664400.02 48511008.99 44813322.81 108529781.9 64419984.41 67940156.27 83523502.33 64048187.21 22570352.27 24156423.68 23673886.54 67247633.1 47571818.97 139680913.6 56555744.19 122815689.7 116911332.1 127377180.9 40110523.49 67360390.28 26902854.44 210088793 101777066.4 33763644.89 94728328.32 54278983.78 24530596.76 25054073.71 68585533.12 29801352.08 50854808.18 72913732.31 137133999 42096096.17 142080750.1 81475148.02 69297415.36 80673254.26 89226679.06 54401233.01 40220949.08 46817129.32 69493917.17 25762446.52 25573262.36 100711680.4 64259326.9 32378343.45 202479288.2 31476399.66 38656193.67 82459948.53 25858841.06 176828877.7 132251129.5 57513856.54 60231791.9 118250048.9 36369271.98 57881767.12 173603438.5 50942578 32256781.05 33390596.71 35740712.47 148472.8896 110396.5755 123187.9051 126629.7337 124235.3278 L-Prolyl-L-Leucine 74003.53629 5414694.642 5650313.036 8347339.643 137488.271 251237.2324 5397542.258 4141009.216 5351316.825 1417282.678 636339.8716 6151774.657 2290112.867 953896.4432 7694602.185 174443.0846 383921.1652 38475445.2 118681.2758 2920282.681 589885.9711 943318.9957 659422.1125 175593.4641 426896.8154 8265330.185 12485436.93 124708.171 460600.834 4027701.787 275127.9384 381152.0794 664771.1028 1261575.561 631815.7378 11611481.34 26922131.44 492625.0414 184343.674 6175658.933 32591103.46 510014.0934 1106657.487 16034207.79 498122.3568 25757554 11380090.01 19169256.07 9332004.533 11763455.05 264126.0628 3410086.629 6074967.184 114716.5298 137298.4713 4446765.022 289619.2712 1469158.116 197638.6963 6219099.417 5607952.143 118765.8951 109981.6179 3800003.464 3955096.333 571567.3311 140649.2932 792522.1416 138849.7193 132907.5527 1793946.11 6436349.789 9063508.13 173460.2121 705944.9194 386305.4244 3367961.226 720658.0428 1042493.222 129350.6723 26255041.37 3909916.895 408424.6452 220854.8707 3123579.858 135172.4019 1865374.513 1113202.701 8720596.919 5408610.32 9317396.373 13867433.36 514840.0079 7870972.877 8166013.746 71462.77455 77202.38232 6822665.736 10431918.49 17347422.34 50605061.82 8405449.91 639669.1525 143979.1141 192024.0941 18559681.45 13316782.57 1570776.083 15106024.46 21754538.84 194271.1839 18776754.16 111300.814 124328.1296 391999.381 13399890.27 10590636.89 229681.0017 9917832.724 346194.3888 15114149.77 1433841.753 6645986.851 534573.2732 272970.0262 2925022.893 16514957.09 185948.7627 3643094.306 20714797.43 712326.677 5753586.134 11292293.52 12873710.21 17386115.25 2553510.015 39005041.68 228110.552 2127133.262 19273134.2 753999.1382 17283964.57 12334722.88 4453622.231 82519.2826 13340258.41 7194659.534 638952.0135 1414202.562 12172624.49 15471613.41 68983245.86 97969.23588 36579275.26 103667.3862 6725931.333 2078630.053 1410280.745 6822914.311 4096138.12 90480.13558 20710692.87 9758090.576 1418467.247 126379.8441 12965205.9 135286.3824 3794182.617 14980454.86 17607410.62 7212096.424 72491.85264 56211.15012 66950.29705 60334.67224 63981.87364 L-Tyrosinemethylester 147252.9098 3290179.153 1969855.821 1587995.782 5588198.097 4079774.828 4479732.314 5977087.765 6361762.69 2037366.144 9614792.275 2911354.523 4595897.077 1985926.786 3505805.244 4757945.074 11396311.64 7165357.605 4788911.534 5894586.919 3314922.809 5316585.855 6221024.273 7802081.51 5129830.999 2871045.868 2762365.469 3651095.586 4199316.265 6148337.365 7003521.97 12178281.7 6366037.313 4575503.626 7293077.862 3694104.373 3427058.735 6683716.787 5955081.014 4179712.991 11052962.97 4935357.352 4660384.805 7332740.819 4125087.336 3495676.509 5642791.189 5684144.967 3020774.85 2844892.978 7264484.382 4419211.826 3155620.112 5416709.812 6199924.661 8438873.833 7853941.736 3670526.598 6093892.252 3508035.913 4178327.615 10249386.88 3866775.916 3901338.793 3936195.086 3794243.359 7215080.516 9651167.322 4878270.379 7940283.365 7340264.391 2907593.642 3181524.16 5087827.235 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7578469.61 8104036.878 9621427.776 10003558.46 7261067.275 6219679.374 10092650.11 20339936.19 8968121.643 10655833.06 7069075.357 7249498.267 7133632.773 16905348.38 16287754.93 10230803.33 5202148.736 19118440.27 10576226.35 9690386.447 12985317.98 7128614.522 13304994.22 6229606.336 4870997.724 3744691.093 4026959.614 5059629.577 7945182.583 8271528.02 12988371.62 4619649.557 7748306.086 7586601.064 14565550.98 7646517.479 33799078.53 15902725.6 8413568.385 11499729.32 16737185.77 6295541.443 19705553.29 6444064.879 7252913.792 19007860.37 4748158.113 8321121.442 8557277.064 6953317.642 186984.9203 146309.4795 142378.8105 172483.9781 131806.2164 LMST01110017 593854.504 28415650.03 36031475.79 38385699.73 23801626.49 12001254.01 21594212.52 24470085.39 25291482.28 14969228.03 23449920.99 19612053.14 26277700.27 10019557.91 21965729.31 20770875.8 20532411.74 14566543.33 19170498.4 30996879.24 19132223.63 27779886.86 25413865.26 22559873.47 31755328.79 25717596.98 32592285.85 22442520.33 18914135.5 17984185.89 16263424.56 21070065.71 16986553.22 14332083.01 13822255.52 12021180.21 5261259.302 9095143.939 26677196.26 10273075.95 16172323.81 10331810.4 19567618.8 17954999 8594205.833 11051964.53 16184704.8 7137546.307 20492795.37 24518202.61 6387898.717 9179978.957 9333438.568 16115690.49 8983549.946 14007872.91 13575705.96 15241889.17 9559737.277 15383763.57 12239614.24 10690058.32 12625390.59 19036061.4 9985161.833 4583643.858 7879036.847 12564340.42 9743511.357 5068055.014 13811068.67 9764385.208 16014164.13 5390158.58 8201911.595 4192762.373 5923787.03 6774246.734 3834936.211 7110763.539 11973054.47 4973606.153 7476008.488 5568040.68 3325061.8 5728609.355 7637330.293 6141643.554 2896209.27 3571663.954 4807692.356 3184424.638 3611025.437 12355627.71 7636715.426 1009930.709 221916.0814 15092698.06 20444218.07 11444323.61 6290458.73 6778400.816 4996180.252 5426025.246 4333410.336 12032021.86 4035218.045 5772119.294 12467296.46 7221857.734 2733235.255 6617264.857 7767946.486 7269606.285 6827916.448 13817887.41 18891949.66 2380756.31 6284659.833 5252593.487 2171872.894 6004027.474 6111683.475 2546429.42 5333900.313 1042441.089 8859087.268 1416436.911 2987344.493 6350915.981 6776163.015 2453932.281 8436337.807 11179986.42 1403061.291 2911617.161 1891666.37 2527143.037 5907029.329 1026840.996 5468380.907 1842056.959 2974988.357 5672826.318 1839965.463 1208548.553 2864101.698 5117362.697 4346413.839 6966105.597 8972348.698 4529563.428 2899449.708 7440680.052 872142.8535 1253312.614 2564554.122 638356.6695 740084.4176 1385637.955 5009936.652 1109405.13 1077271.061 591445.0551 1403264.388 5541856.433 1071913.366 1627034.332 32823371.51 31572663.6 725403.5009 239612.2982 147398.1459 157033.4724 139793.8118 193896.1284 Lotaustralin 70681.58472 533331.1435 415504.0078 439938.2485 210671.4335 656536.3904 637530.4216 578816.4058 323150.0261 174074.6808 369071.9787 331146.8084 240957.3493 1041097.6 597998.2544 596673.718 617967.4958 1597239.315 312499.6125 875167.1342 532613.3525 516147.8107 618470.8326 908056.3423 780947.3028 372987.6392 399088.5549 371300.3952 483615.5155 579627.262 1577176.438 739521.6381 1146491.504 1080114.879 845564.7831 760196.6235 341646.668 609419.6331 455378.4889 724433.1715 262745.6123 915525.1843 457270.2254 1020790.166 668962.7531 722605.6615 508272.2582 839703.4687 423683.8747 351716.2291 502663.8864 122202.7852 1452406.017 538447.9483 452121.6145 1086118.755 803970.7983 228487.2405 614509.6246 607995.8813 370299.0796 161884.2809 364563.9468 505928.2042 663957.2219 219545.392 171330.0623 842014.5014 511162.7744 219370.3584 667572.5194 482574.6584 412536.3645 352453.6282 409406.6002 688073.1205 686405.6478 858558.6838 502883.3199 591989.7514 424957.5225 463231.6712 906702.9406 504874.4544 992819.4854 411996.3517 2265027.414 682092.5779 537337.7645 978753.3258 165947.1063 478175.3539 677077.443 329850.9574 271702.1537 58344.49023 55216.26661 306109.0848 319464.4444 1110328.423 240696.6379 219712.4027 629389.0692 524246.0146 601781.9212 362190.7694 543819.5878 531554.8339 272292.4907 740552.2994 280560.8158 966210.996 521636.7547 266050.0748 1000212.135 150313.1514 276609.7967 1086120.935 590138.5781 245901.516 457202.5886 363575.2103 520701.2447 569220.0275 294796.2382 147022.1433 553011.5389 361149.5515 709849.4834 723246.0498 594345.6293 376695.062 157112.2273 410276.5859 514161.7125 503956.3927 996024.9724 155565.1103 521330.6463 727763.3853 244687.4028 575676.1026 331615.5236 279259.1398 544889.9032 256998.9389 142585.7426 139337.6067 167473.1683 193215.8187 346404.9434 3251576.881 216584.9719 338399.4649 328408.3218 629909.9052 477025.45 568332.3246 834882.3993 316859.5405 277805.3943 221056.4495 331661.4954 568206.9563 633998.5496 200278.9338 213186.507 443420.1096 321620.9049 344323.931 710165.7782 54552.92675 64942.7205 54128.71757 61261.37042 57109.76555 Maleamate 108989.7329 180487355 13851240.85 17711437.91 182897241.8 175503447.6 174111910.1 194032541.8 186468863.9 188007223.1 275999784.7 228358332.9 222277615.3 258719324.6 237131270.8 280140039.3 221876173.6 232833225.7 144221109.4 309718497.7 358349026.7 334209752.1 288790416.2 226262131.1 290990339 14376474.1 18616299.4 206811099.1 188049773.5 203272367.5 394385246.4 218898362.9 313496011.8 292868473.4 250409647.9 274136204.3 336439598.1 175764847 211120826.2 279399438.8 222633151.4 187251661.1 256293557.3 233390406 227153729.1 208289900.5 287785769.1 318247534.6 13446064.82 18833457.95 256619672.4 281683661.8 182139588 227553679 211886683.7 337242171.5 298955699 217930228.3 238356473.9 251653680.5 242086865.7 232961573.9 252727325.9 200156408.4 303168872.7 320332732.8 243425662.9 300705568 272373405.3 232525737.1 198467944.9 15842912.41 22711223.92 202083981.2 224248945.2 280235861.3 365796407.9 282408557.9 205766608 257065049.7 227732070.4 392374546.8 263307553.5 344146935 342933580.3 218585557.8 226454680.6 261969154.4 320516345.4 282110177.4 258935753.3 298696010.5 242607057.1 17770963.51 22272164.05 648554.5199 132126.9783 15609392.76 20010918.31 379446046.8 324072901.8 300938570.2 487613942.3 288980043.4 414704370.4 255628686.7 326417965.8 261508912.3 288664971.6 332170785.8 267399555.7 448881165.8 288271282.5 240880588.6 382183058.1 21932329.65 22174930.12 196378408.2 347899023.8 252194294 278780813.4 272396898 315447886.3 255910467.3 372389651.7 310284796.4 399777843.6 364546251.6 316382956 382697498.3 278209273.9 228489959 22244857.36 27283016.04 400768154.2 583457801.8 446042182.8 362286334.8 312577213.5 352705475.5 518483592.9 382208817.2 491316444.9 285608896.4 359460581.3 315258554.7 349133335.8 261322739.4 243161980.6 22493225.31 31658695.48 491121523.1 267022902.1 384636647.6 340255312.8 370106271.5 268528435.2 396284711.3 482323727 331875683.5 422037423.1 411598410.8 431662996.3 311643523.4 324739381.5 250580290.8 426329295.6 258953108.3 27273995.03 32971135.4 372651612.5 121106.8607 114223.2146 107715.6293 145133.7983 115293.7436 Malyngamide H 77159.37926 2481212.165 1963432.556 2366091.265 2389126.445 1709851.708 5832547.27 39619784.51 1243354.142 11115253.52 3294344.989 2294410.05 776084.5868 9440778.462 3927814.824 1307015.606 2257917.944 22511269.11 1425515.296 3247390.235 1934510.852 4233666.748 3529417.629 1135773.048 1883739.179 2127186.478 2428448.649 4004914.7 9480019.924 1070689.953 1465286.678 1393671.952 1922248.49 5188997.341 3095232.338 306826.6121 2508517.738 3573880.544 5458764.761 763489.0262 1470444.92 6697963.543 3509453.982 2420955.71 1887972.653 4069827.093 1737363.177 1565655.039 2067499.559 2408496.059 1971612.507 9794909.001 4102804.81 4098174.508 2211683.862 13342968.93 6686282.592 11760930.57 1776823.872 2133088.208 1350280.559 1560260.937 1964197.558 288798.336 2759798.743 1172467.298 739899.2518 815859.9987 364212.6865 2382491.854 8538291.604 2121208.308 2689965.175 1441732.078 3901057.156 7868550.289 4460151.295 618391.497 669136.269 8547356.726 4756074.758 4404957.77 231255.5812 3063404.815 2224070.264 1962037.457 3919398.999 1060918.046 1527976.42 3902931.208 5016267.343 5691497.45 3706818.234 2339319.451 2709997.383 97478.1121 82520.51264 1999194.764 1909803.786 794331.3563 573035.6227 717498.9945 579188.7362 8302598.08 2791862.196 3435285.012 2921573.706 1312866.105 1697122.328 919130.8475 931257.1345 4613053.822 4144777.987 8531063.475 698803.4184 2780667.289 2681244.022 1824913.999 609763.0831 1304096.848 2209413.89 1799069.137 4082606.15 7938842.24 552124.004 630225.1673 1725935.666 4304541.183 724036.9805 1249482.674 3084649.263 291219.1567 2594975.446 2873793.648 2572995.847 6657290.63 1771918.376 3676328.822 1391811.964 953061.8713 2142185.671 1075406.94 1699897.955 3498983.966 2163347.194 599172.6589 5004467.449 1150321.202 607455.8942 2571188.101 3238754.058 1822170.112 577850.4674 616277.4108 1692252.959 5762713.944 5142635.206 2078130.148 6266742.511 1226104.394 1925738.318 9276515.062 768476.1024 2064798.439 1914449.96 3420943.697 1989334.091 6426562.311 2762705.501 3099511.521 3768437.835 87017.10293 82330.82109 87286.59608 84144.89233 92207.7338 Maniwamycin A 38457.59312 2213387.5 974497.1365 1488783.433 206446.135 274566.0482 370589.8174 4026329.257 4250484.991 244168.8906 1148030.163 205409.904 5794048.944 6743905.396 239117.2619 875573.1191 273252.8712 2096275.542 257596.2562 241286.5595 25010905.36 139105.2593 283836.0763 247845.7378 248988.1912 826467.6315 1539174.33 2365807.52 221703.2123 211137.8234 243077.6906 246678.9625 259766.7307 5477679.15 393073.3721 1041581.706 833833.4305 258727.6394 236189.4324 1551216.523 256328.8935 276531.2601 13587989.07 237039.9472 232032.1301 2785956.601 247845.5827 1010009.018 740246.4101 1211883.575 275962.1315 14648050.94 243600.9407 234521.3546 1589430.039 310084.3635 280534.1642 335447.7142 220081.8604 298694.8286 2380544.863 210615.5763 241510.7162 3489579.689 223294.5316 901951.5055 286781.0694 2955672.178 215135.7478 1870037.698 229387.6606 551440.6338 1007495.457 257133.3519 146457.7265 343267.2287 235037.5664 150504.0445 1136665.67 905613.702 1059167.444 554918.2028 315652.9521 1410631.716 3855499.582 1043296.986 276398.8813 785407.9962 746123.3562 29721672.16 331966.8972 277243.295 231502.6668 348081.0901 335452.2909 144490.9926 130139.9887 511461.1939 562568.9098 269672.3207 3807277.553 138619.285 8998733.345 1129455.045 233884.1922 3000303.648 233636.2839 237137.9543 139351.9914 270491.9711 793935.0936 4804035.066 251986.3904 803561.8975 156020.0837 220982.6901 860810.1939 165390.4871 158382.6888 271435.1671 208179.0484 262148.4497 157912.1842 222299.9393 910051.3209 155125.3907 160554.0206 145536.8631 244459.0953 741503.802 1550161.288 358225.4116 629523.4225 829677.4833 1485422.86 26630313.36 245970.3278 362015.7372 1280233.291 198505.837 3065038.55 1954488.71 145975.712 1430664.383 270746.0248 260958.3451 84952750.93 275443.9679 353630.1072 609188.5987 968615.0628 271535.3728 254868.8744 229682.3566 259214.2578 155562.0154 5225477.261 165166.1936 153184.2005 9743121.001 245188.0218 259636.6282 3849503.437 255002.1929 261540.8094 234323.7623 597753.642 448534.2312 454945.493 499649.4495 1788030.485 135003.1963 138682.8142 130697.6006 137393.6838 140642.3496 Maniwamycin B 287007.2074 1974663.953 1182386.265 1104403.062 121670.7318 307584.0241 266037.5901 4445121.548 1670610.678 440013.0487 1324761 812701.853 841801.8576 492070.1344 281860.4974 711504.7343 146826.658 7975733.007 1910724.535 140840.4846 1502831.046 844654.9658 154663.3954 129234.5383 249334.996 1165834.217 699496.7116 719119.1876 1665432.708 1066534.126 307556.1654 117482.1592 156277.2549 637165.5525 148593.8975 183668.0171 1601055.999 1131182.621 964043.365 4241459.61 269581.2095 664584.6592 236358.071 518991.2869 2042585.222 1580827.108 155062.9013 5202272.636 1395362.159 1000091.731 2153221.183 1691322.904 2546193.845 1846434.367 2317466.493 1366784.462 784064.1252 649871.4113 1004246.635 258644.5273 188357.622 2323128.594 466785.8846 857250.5061 2082806.392 485994.8298 1204576.176 162794.314 146504.1145 399802.6018 898350.9347 1091967.91 1374877.548 586265.3941 801849.9608 2294052.221 124025.2107 2747639.727 1269847.469 139192.0194 2562208.349 3830083.575 216892.9008 315431.2878 235465.0523 305217.0634 272992.8246 152656.089 1772294.626 130001.0534 449510.8037 1276214.926 457909.0122 904087.6481 1202986.247 336537.0134 63338.20553 956550.4546 904350.2141 3424235.039 178897.6306 280575.5125 1177825.62 173182.685 135511.4257 1438094.866 150891.5859 829027.8699 161439.0321 347011.7592 951092.7833 3213620.243 206113.5698 1612109.772 135120.4165 1193609.278 967625.8389 193953.8029 90827.89308 478901.9516 699254.25 145943.7652 1572158.665 1407278.257 3743466.214 89643.67786 253815.5468 340598.789 162893.5895 322680.1197 1389578.262 360447.0181 963663.8876 444174.2725 78208.43159 334096.6309 594648.7201 1086873.156 419704.824 572620.956 212516.3997 6348790.205 356120.7776 1483000.805 136087.5015 2016648.258 1565725.371 227831.8747 184363.411 1102983.169 1170291.704 176721.8697 3781459.139 150491.1369 2169947.937 96442.09337 7941274.098 5488852.228 103701.1446 197988.2395 1302249.586 286877.1826 175011.1111 1393829.651 1510002.588 173827.7022 7808175.408 470669.0262 1211327 795107.4245 1775257.131 80493.77561 83463.37384 77428.33762 71807.39973 134095.0474 Mebutamate 88556.59523 391397.53 37491537 35816705.1 531482.7282 661384.2539 178203.3595 203525.0399 109345.3705 135415.7563 136449.8059 178966.038 290888.6507 149417.5155 455634.2264 1161264.295 152893.9218 357618.2903 542529.0521 1216329.595 942659.8678 146814.3815 941156.8792 778681.3776 744188.0024 27730851.09 27625909.77 1371628.287 741433.3534 599073.1932 166302.7149 601521.7971 997198.8693 143614.0075 601189.3416 1268137.292 1393080.94 884604.9385 1353656.501 1014787.317 962604.5787 1150634.192 541929.148 846170.2026 146957.225 1604959.489 1482647.016 678557.8243 26299166.4 21664227.82 1143311.9 1506295.823 547017.3133 308649.0619 863897.5938 1808581.315 848808.8497 1304881.123 1899567.012 631859.1564 1031107.013 495474.7141 126815.0408 157112.4874 1567580.104 1439831.262 1333015.606 1887091.835 133527.7191 1698080.769 1686337.583 29113538.56 26885006.57 2066648.149 1203513.879 147499.4958 1820396.539 1546031.205 1002641.113 1301670.842 1587681.256 167788.9003 735289.6453 2328156.074 764660.0689 1522886.04 1012968.363 139234.5143 1934924.697 2276698.299 2266212.578 1273276.105 1917385.86 29181129.15 26741204.79 94246.99759 102570.7305 24903142.29 23203101.9 6098531.904 1843106.876 1051959.034 5868875.341 1402433.726 938855.0521 1379727.359 5147897.04 924434.9515 1360923.45 3186358.712 1288831.152 5005643.603 1380213.775 1360028.552 4832631.621 32458407.67 25642525.68 1141856.576 2796163.475 5935014.632 2325024.556 1282130.842 2919248.813 926374.8927 6397153.158 3225759.302 3305499.343 5586286.697 3829301.296 3979999.716 1146681.407 2588869.559 34653353.42 26869932.83 5327429.681 3903957.296 7519867.427 6099279.478 4734260.97 5723219.168 6534117.899 6647802.709 6335582.481 6512573.06 5583126.298 2161475.726 7318494.671 4832413.197 5273189.401 32052900.42 30211400.62 4500254.266 1518365.368 4584901.924 4371317.363 140531.9757 5363743.657 7377480.892 7279234.22 6198841.38 6501988.092 4457476.811 608896.6281 6696503.108 4208837.618 4305987.237 7589445.131 1221010.789 35969765.73 32336631.91 137458.0059 94419.50366 100131.6255 79437.97231 84203.55095 94579.8667 Methohexital 81988.96895 788142.3072 866113.8589 800584.3505 759924.2386 878052.7903 963106.6921 733094.5709 599531.5376 928972.2105 992043.7661 1108873.36 1314269.804 2229460.178 1083659.965 3517376.749 1183407.14 1458132.937 485590.0778 1074352.95 2362390.09 1497162.553 1068283.574 2191643.333 1439128.479 1198128.187 1164432.418 464179.8448 927474.2836 1835588.375 3133785.079 972128.0598 1200869.282 1419456.757 3942444.655 1956516.648 1145624.607 1183741.788 1688777.098 1606964.904 1846480.49 1336824.417 1746076.949 3138395.297 991561.5495 4251292.843 1183276.28 1746812.182 1284702.299 877731.8606 1820205.918 1210871.789 1072910.599 993835.3029 819801.7255 2284744.272 3307851.366 1974991.812 1576928.461 1374147.587 3571828.266 2492205.4 1755330.73 1565890.28 1502736.441 711303.4419 1710295.533 1934561.992 2934305.284 1368168.173 1203488.392 1324062.472 1286665.906 7980342.534 800770.3784 901037.106 3718894.796 1805287.542 1672885.171 640331.1937 502200.4206 882055.3073 2846924.093 1418519.39 2610071.145 691588.4162 717739.3124 2169621.216 1027544.371 1677700.597 972494.6183 921393.0027 880649.1556 1440897.762 1029326.884 91737.2006 79802.66288 1101852.149 1034631.629 1713079.802 1886534.45 2707950.293 3248025.439 1165068.745 2636196.26 1141590.85 929185.2507 855067.6368 1409365.597 2902989.81 2464304.539 1693636.899 973110.2242 1124579.108 1014070.912 1952827.15 1283345.352 895875.9747 1080680.994 1369748.888 1504395.039 1790311.653 1314629.314 1097158.921 2138219.569 1513412.965 1524782.298 1760473.841 1962549.854 3650990.344 1741430.607 1755679.132 1825570.952 1410084.501 2287473.56 2509177.926 3379015.033 1679208.498 1946758.534 1860270.851 2403462.153 4626540.19 1883100.826 1577308.274 2260704.545 960389.6362 4065381.005 2053227.791 2300323.87 1693303.167 1723599.355 3589874.282 2387683.497 2131884.855 2419683.256 2190466.556 2230036.11 3837840.055 2413388.916 1954905.783 2303253.09 1597259.052 1950184.776 2409150.398 1765591.911 1299236.843 1317474.35 2249372.719 1763736.137 1635918.407 1997642.01 78134.89655 73914.30484 92031.42506 80826.94026 72439.83166 Methylimidazoleacetaldehyde 214853.0817 4238936.76 2697242.437 4962898.159 2279956.731 1467317.218 247991.6677 5488786.994 1775859.845 1520703.563 2574733.288 1178157.586 2972782.049 578077.1195 972042.8669 2722936.321 2904560.594 5228441.868 606886.2691 2356333.905 1270773.709 7977640.545 7750992.682 4399454.026 8710687.777 4542977.279 4158116.79 1574174.821 855244.7741 857536.5495 5695483.766 3030604.507 11229428.85 2607672.395 3815771.62 1261902.086 3168695.881 2483826.953 978706.6041 4483044.783 2237020.389 930425.7652 1180670.109 586842.3058 2357424.51 661874.9994 2425727.238 1351488.863 4235927.225 4886795.586 1983267.177 3719429.968 442850.9389 6378018.503 844992.2947 1315455.686 797070.8052 1454929.031 3032524.268 642651.4262 1517855.023 3119409.678 4801436.247 1297404.444 3985327.899 1511468.342 646468.8156 740330.8196 1699204.511 1464914.463 1412847.147 1881003.245 4324256.387 294253.3264 1210361.567 25625564 1206706.011 4294000.924 637196.5853 3235060.057 3491840.295 1715793.639 605287.9813 1151445.126 769606.8256 2855798.6 500831.54 4568777.995 4532363.33 1254342.473 204064.3083 3449558.739 351640.4687 2656224.944 4161621.086 1102149.641 151569.1917 2725245.149 3993273.342 3106018.658 2265872.326 1265579.761 1878848.835 1826938.784 420708.259 821070.7851 7236697.785 8315374.27 2958494.321 1664161.973 2550267.64 4758603.376 689532.4508 1477167.004 5519696.104 3586511.735 4592478.595 7206199.226 6167329.426 1193104.859 2816797.011 4398042.844 3906094.848 5451349.035 3737288.769 2251082.362 2725162.18 2123799.566 12378562.96 2908409.463 2312731.576 920640.8499 3290572.62 4083087.561 1995007.677 397057.3828 1805269.812 4062866.178 4237275.436 1577614.024 1136034.931 1884446.69 10485741.05 7011356.892 1383388.836 2031789.583 1698873.111 366470.1056 1257816.233 3125376.653 5012989.345 4026237.51 2033833.002 3193709.412 3379282.568 3557376.664 806777.9203 1225484.698 1894892.187 209735.5516 955321.0323 2897811.922 657104.7572 1950570.417 3124573.163 1902656.097 2625222.284 879064.8135 2308117.132 4412171.074 3741540.691 5073635.92 145705.1356 167123.7797 865439.8453 132663.2015 Methylimidazoleaceticacid 155174.8124 12096354.62 10989248.71 12476020.62 13231562.8 10138419.67 12264291.14 27499866.83 6769437.053 8211861.124 25666042.91 17598326.21 5410863.379 59801542.85 10652388.38 46792573.31 28316651.25 8216577.045 27968423.24 9316329.892 13150042.71 15450675.98 32148402.55 29935921.81 29022567.53 12551383.21 14031550.47 15343438.2 13546442.27 95629183.82 20687924.57 9350753.81 13268993.93 24296863.17 24206956.82 11373988.08 9142473.713 24649467.71 12155918.96 31484267.48 22390197.01 26933882.64 16922181.46 39033994.09 24704831.72 67558788.77 2357739.993 20745373.14 12752952.1 13328532.63 17642982.72 11804731.77 4165102.22 13275082.88 11005331.6 82234957.71 82095469.26 28991286.22 10050131.98 29184972.68 8180626.109 18105071.74 32961167.8 9870525.281 17740818.56 12983032.56 7179687.778 52989038.56 11509332.07 40819795.08 17549776.22 13280021.17 16200652.73 40705047.28 18303768.98 15664738.39 29752956.1 9143678.959 11592005.32 25322049.95 8831466.113 8504974.89 12223720.89 20362792.32 11883220.98 11033995.86 8939646.51 8381193.692 10496411.18 31340214.59 10209162.65 10404645.98 10874537.26 12785893.92 14777308 138669.7507 150916.8247 11278339.83 13044941.83 3194653.22 3188898.364 3843787.161 59311055.22 31245012.36 29099847.17 9646415.547 15758719.25 4169106.396 8755794.469 27422263.52 18301816.46 5963749.685 22314541.28 13471183.39 33045022.97 14711821.38 15080259.25 7761914.683 10337426.23 23856537.11 17736455.55 8405911.79 15603070.3 14972423.48 25883164.16 18561569.3 16277916.01 15619258.25 7384649.488 33999296.49 10154571.06 8743751.205 15146656.1 14809985.63 22497667.67 18107760.73 10022002.86 11375047.55 11760404.31 3164397.128 10836578.3 15577368.82 44293517.43 10670460.05 21480621.11 3055307.325 26907956.11 43838437.12 31963492.57 14463177.18 17080422.33 11240728.67 17566287.73 7514332.171 26398856.15 22144807.95 28241504.29 93051565.16 23154696.49 11245190.32 28665571.58 8746283.371 14574831.93 25486221.58 8574050.782 15401656.31 19248079.38 32721968.17 16143121.19 17987344.68 19167422.24 139713.1838 147328.0624 149000.4324 132921.3285 139159.5156 MM 22382 52489.20712 2239410.729 446774.5857 701727.2602 113924.6445 8646535.434 148929.5794 13279099.59 104182.1948 109573.8711 128765.8843 107028.5217 111745.4037 129771.9549 107274.6362 116148.4226 133500.7711 106275.4799 107130.2318 128086.7126 118117.0811 87478.30469 154876.3904 138214.3593 127495.2576 301723.1906 650123.1507 101869.7983 116002.0833 102652.1615 121129.2776 118142.6207 144862.834 1373639.017 129500.2403 130762.0612 121880.4835 131096.1787 124222.9465 127672.0098 118694.4264 129469.8052 107128.588 138004.7048 116838.4878 126735.3778 119855.7046 127560.0954 198512.4931 505501.3687 135562.899 116379.9925 105490.7402 83062.47533 116033.1017 154975.5641 127628.136 134749.8561 117916.3746 144058.5885 188272.2631 91565.88491 125664.8267 130680.57 108771.4969 128430.9556 94583.51679 141875.9663 127678.9851 1558050.374 120766.4545 283035.9382 555157.5363 149314 529246.7116 10613988.49 115524.2589 16435310.94 102668.6512 126132.9522 142998.9617 112273.9133 184103.3901 6285086.627 115643.5882 109026.1011 117507.2391 11636717.11 147489.0792 122824.5039 158313.6636 5046478.985 98455.54096 291761.0254 504757.9168 79096.71672 56263.51015 322066.8596 409696.6347 146280.7895 1638198.8 58870.13557 128055.6431 120520.7313 122451.3136 117041.9835 142373.1826 111411.1285 62672.23538 150810.7183 116688.3835 1018664.198 128696.749 79396.20344 27134233.99 366099.0288 511511.7625 178728.4939 156111.5029 157620.6444 10098972.71 591102.3199 137430.8771 105197.3854 136864.9331 78124.86259 78986.23783 166828.374 141962.4853 72696.08264 125519.4295 125149.528 318648.5823 641842.2254 68158.99478 72177.63071 79186.06204 155431.4621 142866.149 80797.44193 65837.79961 92933.57627 85251.79726 140676.1672 2689714.005 127411.6662 128488.3804 4752045.476 162261.1106 300941.3548 757156.7311 154013.8927 135798.0743 131153.6929 152481.089 76126.01924 82025.36767 82508.10031 90800.19047 144693.1289 10812917.84 150070.2828 8630448.202 151969.923 145197.9722 126316.2578 74578.07368 133548.1491 341915.5077 384634.0031 1916521.832 69151.87547 72738.70025 67479.13943 61088.54576 68942.17236 Monostearin 4304410.578 31510757.87 14545939.17 19833770.51 19297900.61 12050611.65 27082805.42 39463753.7 24688173.05 18682232.41 28134470.86 38757404.65 32537190.11 11907394.89 22636618.94 25819917.89 29950286.84 27024074.37 42081396.38 45012158.7 20719513 30712942.07 35221896.08 49042724.56 34521526.85 16005014.77 21173344.09 28261323.98 24457843.96 46748204.79 24841453.58 29844696.32 25864767.19 34217614.54 25735911.11 24835424.87 8533285.581 22721139.58 37158010.14 20003531.54 23977899.12 18388713.79 25962390.39 32678152.67 25301604.25 7562812.379 21239534.7 10921565.43 10946096.57 13216605.41 16569995.74 24283479.71 34151151.89 34888149.26 28784885.57 26345098.12 28663966.08 27043447.71 20061737.47 19710812.84 17607388.69 31007572.65 28549022.63 40446936.5 24030901.61 10384445.32 21058889.06 19201208.89 18842239.72 7093160.463 33765132.87 4149690.127 1554897.443 16093421.4 39679688.94 10120796.67 20277383.49 17868465.16 17575558.57 16938607.83 38751728.06 13168179.89 18214625.45 12773121.35 9762315.145 22570630.05 15589242.05 17344601.56 9376089.498 13486015.26 17794661.67 9575375.115 13103536.07 2393374.446 2596547.21 4049681.025 6623663.264 5739548.56 7734313.236 13478857.48 17728677.39 14373099.56 10444210.14 14733562.12 12650244.31 11420893.19 5164742.332 6390001.481 18922007.07 15866423.72 12795323 5990829.791 11062076.31 28417431.53 14169673.17 4539484.13 2863080.562 12841899.53 8702349.671 11914074.35 6235552.629 9478100.278 9733532.291 6336661.989 8617950.1 4402598.459 15091366.99 3106555.374 7265453.411 10337213.79 9919785.709 7431269.323 742986.7655 1131773.816 5165833.273 4836860.129 4716503.176 5681703.911 7979918.793 5255846.764 7496035.074 3824211.209 7781418.159 8463311.44 5275500.497 1016393.239 6127435.771 7013476.883 12184651.43 714908.5084 815593.858 4728171.951 7475751.254 4701912.565 3376215.67 3435280.102 5036267.266 4349424.244 2333591.2 6417166.18 6633231.166 4206720.931 2386673.52 3114940.464 5184251.131 9033685.58 2083464.899 5437116.511 14460281.82 10616081.05 1736760.697 1601649.946 766250.7522 918543.2465 950731.4513 771058.0554 Morphine 312368.2308 109437842.9 90384521.81 93655132.53 17758018.35 11611326.46 128609604.6 74352883.62 77964134.17 371934402 114731469.6 157738273.8 132702686.5 339949558.3 37159508.5 464957866.4 79951721.69 509360694.8 164778793.3 5634088.442 468504726.3 840403066.9 71413764.08 53525027.04 30653816.35 75276056.92 89106706.51 116732195.2 15955179.39 234856708.4 701731097.5 230254873.2 204184902 28594988.28 15590919.75 163338594.8 62896885.07 2444272.69 14200275.11 329717393.6 501580136.1 11427042.17 67625754.89 15591131.03 11726058.37 85068463.14 131438265 98881176.57 77607463.58 83085818.86 216133419.8 290582486.2 118475824.8 316297862.4 21771283.7 82567324.82 55032116.61 76145070.04 14617219.27 309390767.4 252670568 206648968.8 104516963.3 13838200.27 617465508.3 182550353.1 45364815.98 194296894.1 48297853.24 7643825.164 11814306.1 66175939.56 90360805.16 13209434.97 162738292 266667076 8692289.652 52185661.95 85836750.31 7953573.124 3179316.779 297445516.5 152546936.3 13567073.18 144772112.3 44447989.22 49195460.6 267926052.5 45546228.03 18499303.05 15248524.18 97246146.66 4675178.938 79438740.34 87159894.56 631731.7739 326696.9211 92538622 94270401.44 8402489.421 133033564.7 66688420.95 259102925.6 27677240.6 158159063.2 153570998.4 104462976.2 90444288.59 9464830.914 109267400.9 132962521.5 419371939.8 181908220.8 4516283.393 247725360.7 109765738.6 95838673.76 78580797.59 57420133.74 12800591.09 19962143.39 94473839.48 247723884.1 18322347.67 249139809.7 414674699.3 179543466.9 82461983.67 123747956.8 137764366.8 240349345.5 94532967.09 92833777.09 98087426.09 175912711.4 249980668.3 560040932.8 32525072.84 148618996.1 745291963.8 341719812.5 231101054.6 97437806.97 145570875.9 284745853.7 11982345.41 24931942.51 22817596.13 88699829.46 99209257.42 113455063.8 141687293.6 80735549.14 39197982.6 62373833.3 69468789 429320934.7 108498246.4 483678392.9 87326369.16 125482838.5 283518786.7 182571547.9 110163465.4 427935638.3 52476129.99 6628482.171 123041032.7 113544849.3 111876209.7 154503447.3 298886.3003 269285.5032 378631.6395 289856.0011 297766.4874 N-(2-methylpropyl)-2-methylbutenamide 1388589.839 881993.5484 2906741.189 3012991.216 4672187.985 4457257.108 1703351.572 847725.2561 687314.3316 1938514.231 1019572.857 3656849.515 3186901.153 712183.1771 808762.0078 1377719.449 2487361.679 161400.2665 1365581.133 963637.2746 2431089.708 5800194.956 1131281.827 681704.6679 1507958.875 1082285.064 1396550.463 14614980.09 443052.1004 1575766.741 11878158.13 1702904.432 1029657.986 807842.3902 874693.1832 1608938.201 8803619.669 1351823.445 2016944.878 23480836.45 628964.6631 1587842.895 1625028.406 1370494.351 3052884.806 921693.1715 3963281.364 2116696.114 926794.783 1244938.618 1357691.659 1359965.801 1342099.22 656033.7843 2961993.52 1217799.708 1489215.583 1461865.621 844141.4195 2512114.751 7790423.861 3907836.156 838524.2503 1829488.826 1326837.75 1531906.567 1407643.422 40064919.1 961688.7293 1702413.627 1418242.276 4088102.967 1292932.227 943885.8262 2509464.331 792479.9878 1604623.396 1600611.31 2144646.606 1050373.454 4435085.627 1943363.445 1536182.011 1738497.433 2292917.902 1262685.254 1859893.232 1233708.039 1491823.228 1273138.888 870637.6213 921489.7518 2588782.938 4546917.465 2960880.422 217933.6901 757558.555 1442868.774 930727.9949 747128.8295 932078.7019 4436480.948 1093916.163 624922.8592 605339.7524 10561253.64 1100907.478 928025.9152 421234.0168 2949029.302 1230478.307 850477.4206 645328.4481 1080825.71 894390.2685 2972427.461 2210946.104 904500.7289 907157.0548 1011121.587 1206810.958 2218678.877 379953.1414 3286550.159 727765.8309 1297762.963 6256748.623 2669493.621 748709.229 833622.2659 999195.8157 1321016.878 957768.1332 793754.3208 1054662.149 322619.7118 1567342.827 226385.8045 716685.2558 1052376.455 1603384.413 6534632.327 1079276.975 793933.2481 1134089.921 1223053.271 791528.7219 654065.4499 1354161.002 1816631.608 1764531.68 2286257.692 544912.9433 1162484.711 7636838.82 2876929.785 913886.5568 3255009.795 1061840.744 989625.2276 577960.6671 10269555.55 884852.4473 866707.7838 860159.7869 723214.4366 654910.5543 853688.9866 1247481.22 1108410.907 771273.7653 890778.1213 1048924.218 792706.6914 993039.8404 1329016.857 N-(3-hydroxy-dodecanoyl)-homoserine lactone 120091.5301 3754626.537 2740498.909 1673199.079 5720577.287 10657359.88 4986327.732 6936301.024 4092651.892 7486221.827 4398130.219 6206645.09 4935080.611 3619670.402 3953984.047 5263625.506 7593660.444 8821728.512 6770489.945 3970375.849 5599324.819 6161377.924 4326029.916 5981493.478 9128480.505 3078297.907 3547899.619 8717278.442 6101378.736 5103338.77 7363440.543 8098096.668 7189227.03 5463651.313 4054117.481 5833261.682 1428148.322 2404511.721 2416922.38 7533691.026 3888084.257 2615142.718 8136879.893 5173011.158 3317851.671 5302285.024 3450652.13 2029743.913 3769801.069 2431290.205 5642836.5 4564002.605 1165302.686 4540322.556 7562717.999 11760982.38 7993714.45 7596846.03 3624618.184 4922583.3 8019428.204 3106461.247 3826039.705 6886694.348 4754363.754 9157966.788 1688390.293 8054024.843 5603188.578 7965161.293 2793663.187 3520437.367 3605165.81 2451392 9501903.966 2463872.419 2757461.575 3147310.68 4618241.466 4927108.318 1816482.791 7090341.929 4198184.689 2956472.791 3517347.997 8504026.965 1931095.205 2573249.647 2338180.251 2273917.747 14502244.64 4962470.505 8137936.715 4001394.43 3854313.565 157038.4708 103715.8295 3813354.466 2633245.252 6583077.83 6391551.289 4372087.088 12868003.95 6248594.18 4448313.923 2395216.462 2239264.633 5170765.407 2777908.051 3990149.798 5902795.508 15580314.56 3584455.866 1662057.4 7474460.27 5429769.716 3733307.819 5245528.241 3255445.714 3038243.627 6527973.426 3881240.323 4579566.047 3146555.006 4234084.071 14679334.05 5896812.811 9816576.75 5520616.743 6589959.206 8249287.143 11040569.35 4433400.931 4187056.938 4708588.247 4870567.067 5922578.725 1601066.333 8856364.93 5436614.148 5160915.909 4681742.494 7348587.676 3753661.475 5842133.806 2577573.217 5510852.597 1940761.115 14570969.73 4015101.82 4486687.108 10650074.22 14259069.67 2480942.795 2835904.45 5914884.425 5713371.152 10188136.12 6790676.381 16700526.34 10521872.07 6670215.938 4245912.994 6412994.946 5625126.472 3021651.092 4379886.638 1644170.419 5396009.935 4991332.364 4227449.349 160763.9523 125792.4444 122412.9747 148296.4829 122563.4605 N-(3-hydroxy-octanoyl)-homoserine lactone 105114.1544 1464571.162 1185902.104 1482822.862 2461691.599 4021441.306 5087908.184 5325863.346 3310811.322 4033232.468 1408897.353 2967960.933 3377778.639 2752159.618 6563746.629 2372135.546 2495563.13 4236839.094 4327155.269 5925671.758 2032028.888 2455901.442 3849880.752 4559788.491 3794353.663 1568043.435 1931488.546 4486925.715 6009095.156 10128012.07 2751733.917 2964710.208 4161296.839 4456399.281 2841685.838 1139939.108 3939774.605 7280632.049 19711648.25 3445068.779 5321541.624 7213776.554 4894594.646 4852799.051 1833126.708 4116109.021 5150978.747 1870228.635 1667875.534 2033794.638 2470433.825 4455417.605 5956200.868 2753094.61 5082637.935 5029514.27 7304435.249 20085603.92 1768507.968 826677.9994 5382275.153 5240390.849 5397286.902 7049542.072 1752451.383 5164388.558 2507785.888 9458065.177 2175626.258 4553169.422 9676774.48 1595472.635 2141243.077 1860407.987 7852418.655 1633533.672 4248861.023 4534005.488 2164473.133 3697322.106 1543642.926 2753839.39 1627935.758 2648534.976 1171599.195 5148599.265 5998893.136 1876990.337 4870614.106 1456221.177 6169416.78 1246322.693 2810116.704 1519476.194 1835297.603 93085.5916 98001.93352 1351798.983 1584319.176 2145619.332 2414640.474 13147235.98 2829968.968 2328005.356 1738644.306 2968028.374 3651712.851 1397910.124 4598258.899 4679532.387 3095171.718 5006400.482 1845199.963 5886364.238 1689507.493 1955054.896 1911485.426 3247981.54 6250351.867 5249066.284 6223497.547 3355657.251 4203265.43 2372603.512 1762262.17 5564180.166 1702070.454 2389276.344 4581610.226 4148780.979 2175548.217 4287055.737 1857918.366 2039330.175 2335385.101 1383582.572 2053437.895 4717763.831 3044682.892 2918573.447 2371617.827 1963363.085 6202980.887 3796744.1 1693083.158 1868079.797 2391155.81 7196204.756 11062666.88 1916464.173 2281332.055 3365331.892 4469253.949 5449492.951 3001831.452 1337709.535 1425871.719 4223532.178 1013168.347 4486185.634 3961375.756 5708140.168 2267941.464 2188567.622 1666234.298 5883703.658 4568184.795 2136751.414 2228602.719 2405078.273 2696134.388 95953.82736 88721.32106 113019.5068 89427.85898 96234.01997 N-(3-oxo-hexanoyl)-homoserine thiolactone 93655.17429 99011.67477 98114.14876 101768.1991 107398.5319 742413.8856 109451.2397 93490.24033 80566.69413 7409700.182 2646063.116 84889.98368 90036.38237 130698.0691 88544.79258 90169.427 145837.1246 650257.4049 121771.3354 104355.4109 82454.87897 94008.37216 94224.74128 136438.5825 74882.90767 122655.3498 138042.8753 131287.4996 101531.5766 108283.7376 116794.5422 24166584.18 39179454.89 105862.2226 94676.80925 71830.69943 67803.22161 91798.70394 89766.9133 81557.46397 366739.8835 94844.05011 80146.52089 106236.992 81831.17927 106056.9528 104496.3091 122111.1955 119045.4525 101667.6601 89008.20232 89718.37013 90892.90185 108323.9561 79218.95023 9830757.891 104257.7306 1268347.896 103799.6638 215420.1531 113907.1836 86138.01149 594383.7898 81063.63552 88287.70141 91101.21181 97813.32146 78639.18292 97934.7463 463472.5838 92047.68118 99605.39731 99089.81854 122904.434 17727348.09 1200183.77 97053.40113 16992666.06 103936.1592 129310.0142 80156.33975 104523.4533 99054.90482 125198.4649 102193.7321 98424.26091 27292842.95 991313.0561 164743.7083 93333.38257 71740.05322 891380.5769 101374.2551 125186.2927 111221.7922 86490.73073 91058.7632 87201.58184 111071.783 109473.3217 101868.4016 90264.54091 104697.6493 96067.77976 114218.5294 100406.0883 105921.7681 74003.88592 84108.73611 104466.024 121979.1665 104275.5021 82493.42341 563554.0738 262333.0017 139189.3023 97272.13759 17918736.14 108313.2799 82682.59531 89480.09212 99591.2373 91294.05877 76803.05828 125407.2051 95537.40062 86801.48616 99856.97327 90348.73626 86549.01939 93446.76582 321096.3094 104321.7045 94785.09804 93923.30622 110675.0818 131033.0603 17592853.28 110372.5729 96231.62219 133737.7215 96398.03175 104003.2981 106322.5956 132321.4448 85287.46767 108435.0722 123585.5834 99594.62494 114438.3433 138872.739 109079.3696 225243.0815 101869.1179 123737.7305 82803.73033 85258.62307 109387.9424 106698.8447 100898.9424 93035.62262 106308.0589 102492.3738 107959.6255 4088452.923 34229358.02 104168.1261 105844.6227 104501.6125 106408.7035 107600.1727 89155.75979 78661.85794 105012.3823 83092.13851 77060.70212 N-Acetyl-D-glucosaminate 79613.70039 1034146.091 833574.0328 847767.4647 1570217.202 1749704.724 1074146.104 2145956.248 464798.4308 976161.8233 892820.1036 1671527.343 1282320.886 1729706.081 2941310.257 1058131.957 1795548.669 2077615.918 1254623.748 3437099.849 951502.1459 1077987.494 2029258.291 2964274.115 1264130.271 1127647.861 994251.4804 2098501.186 2769700.939 1945636.295 1312730.796 931857.974 1219563.095 3330666.128 3085516.919 1109289.699 2771652.04 3163847.807 2202273.976 2165479.319 2120646.556 1518814.096 682369.1358 1328333.34 1944965.06 2725587.068 1439155.341 1558509.221 802132.076 923862.4385 1949694.23 961290.084 1363170.263 1096522.432 1636707.146 1937831.39 2297595.848 1597209.72 1384009.299 1533662.561 3134440.662 1667677.186 2393760.63 1808489.941 1323217.566 1517399.903 969536.607 2194067.522 723036.9308 1452404.327 2994561.445 928131.5414 1167353.342 1566103.278 635496.4151 2688169.379 2452247.124 2011403.559 2040657.132 2049223.963 1730621.505 1144933.431 1838783.684 3269148.772 1946815.101 1027887.845 1257711.57 2687566.447 2231783.748 1282346.8 2928340.544 2012894.784 1344352.642 1353304.98 1009580.794 106610.7535 98875.06329 907126.5777 899650.8728 1831270.796 1222172.409 1015212.419 963273.1092 919862.2877 1201884.005 3052977.847 1503457.047 1384041.547 1680663.296 2254035.718 1542724.034 1275639.337 2351879.119 542179.5791 1751250.96 1040974.891 907971.3046 2201563.456 654208.0958 3369922.585 1170855.201 2407369.771 1829508.212 1359315.759 2481057.872 475568.7722 1067973.437 2146305.8 2158650.602 756943.4129 1782163.567 2759921.491 1045118.932 1140507.947 2215526.936 2701472.661 1508416.987 2170113.39 2667845.336 1983216.031 1362462.112 1416273.796 498098.5894 1033636.952 2410118.799 411350.1447 2247031.681 1895230.325 2129187.212 953304.9888 1179432.559 863001.4154 1043156.681 3815096.753 1000375.522 2485052.22 2371931.902 648273.1699 573180.6566 1592287.478 2486282.695 1478318.017 2123997.112 2032108.585 1726901.329 1598625.27 1461239.982 1032125.685 1039567.563 1199089.216 2420839.747 82670.37455 82294.13314 94715.9554 115912.8592 104936.3899 N-alpha-Acetylarginine 129934.2393 1987329.172 1875635.297 2355734.245 1373521.759 1466292.482 940599.4713 4785153.31 663942.8629 2543125.164 5641247.742 1163683.061 1886307.895 3427510.149 2246427.877 3644896.828 4274177.273 5291844.216 1444266.371 1942025.369 2867695.758 2750673.692 1311927.616 2641498.411 1154425.139 1900311.82 2173547.609 483793.4839 2886171.875 2230848.602 2469634.829 5184957.387 1573620.335 2259679.048 2742536.991 3346195.461 992036.9376 3027723.629 1556276.228 1931896.552 2814161.519 949504.8704 1420651.314 1161446.338 1908885.016 781560.2412 1601785.404 1508696.426 1838137.981 2134183.557 562482.8362 4415799.261 1552244.266 2013250.701 1204078.262 2271821.34 2332437.14 935554.2605 1504522.52 3482503.955 3231802.087 1842247.989 365323.0569 1724571.195 1578945.242 347667.5644 667152.1778 874919.3673 2352113.001 592910.5431 402314.7828 718688.5186 1988749.601 1167386.131 3114748.755 1379053.443 809265.4868 3235969.621 961026.4504 1073428.416 2649841.193 277739.3293 1072578.477 630288.4991 1029243.733 1140724.381 490621.4355 3499812.84 673002.9225 1497528.272 962299.2387 3204124.429 332011.5216 1390624.99 1916841.424 98642.15411 145185.9897 1302134.307 1673911.4 544305.445 1629968.301 616238.1788 298939.6225 1043343.493 974310.6199 597257.5151 358982.2033 376764.5729 427674.8191 1466666.209 397404.2529 240743.4174 1592920.294 197170.9487 797752.4121 808184.1662 943077.7696 272232.5892 1526103.944 237070.2411 1102286.628 1403861.261 258848.6747 2229095.156 472845.4535 219367.01 457843.6115 775693.1988 241352.9325 1367179.583 871202.6352 240856.0511 267343.616 1622614.738 206536.6506 599171.5058 389476.7773 1497666.618 361017.6356 250127.9916 765014.6487 375021.0162 398933.1325 1265209.939 244752.9528 337651.6705 257962.9721 214077.7644 362860.974 983360.6176 570530.1644 263536.5011 959637.4033 1046727.546 583461.1319 835835.8974 237946.4386 419985.3136 572043.3897 267048.8565 624603.0936 202452.0091 106049.5144 441616.665 240740.8629 226839.2207 274344.2856 2039431.836 661907.1541 1416390.754 139122.2996 116812.613 122494.4762 112038.9478 108830.9032 113996.6438 N-arachidonoyl D-serine 126313.291 666445.0189 586665.7835 818615.7378 1100939.048 1057794.704 882017.0522 3587379.946 707947.0532 787266.4437 1617121.981 2096018.439 1826180.546 2348971.548 3025666.355 809592.1397 1302094.177 2353675.098 687013.4686 2910693.471 3430670.986 1697029.964 1770055.483 2047243.133 2499735.761 987859.5259 1069072.662 1895247.969 2666552.704 1943817.66 1008171.185 1162977.422 1140244.411 1773513.505 2354392.295 1701050.869 1261389.96 1675092.345 3729559.103 2181129.392 2846271.062 1466161.427 2410554.712 2068925.725 1419750.875 3345153.939 2212474.467 1309784.082 1015789.248 1293962.556 1450829.214 718199.2443 652240.5424 1917622.619 1505490.275 3545964.1 3425373.206 2714249.188 1562672.104 2347933.556 3809926.856 3256537.887 2772548.427 3383040.138 1741473.52 4126865.344 2518404.323 4175024.704 3933614.11 2282763.838 3592654.649 1583251.384 2007708.473 3027794.214 2744904.965 2456509.613 4944904.885 1476912.231 4116008.837 2076582.409 1732597.292 3586592.32 2168355.283 1338761.162 1423117.693 2537823.964 2146253.533 2469045.173 2037255.826 2371525.85 2533552.598 3029963.865 1545540.794 1565180.736 1945927.629 143380.1471 117924.3757 1442322.888 1651813.055 2629309.932 2297306.652 6471611.105 3403374.142 2045560.649 1501794.946 3138484.119 4288275.539 3173230.924 5146808.589 4408790.132 2805542.625 6416763.066 2053194.069 4332506.139 1359977.833 2194013.724 1959145.869 1913812.562 2952999.88 4015557.712 2908840.112 2270555.992 6930484.664 3643232.236 2510792.868 3463040.752 2378931.067 6773723.481 3075256.522 3908412.153 3549692.893 5862753.036 2031983.431 2178169.681 5058913.985 2239811.979 2637028.504 2122991.044 4132937.612 4662283.91 3780014.354 6752171.692 5322709.888 3103791.739 1387278.17 1211146.118 825879.0469 3581287.963 3128760.596 2084792.234 2428475.346 4210711.437 2777300.985 4495408.87 2165962.372 3309331.638 2647089.961 5738706.283 2176242.926 9813815.118 3178047.871 5461623.39 5737508.368 3508537.838 2039961.656 2543484.788 4223854.994 1908787.614 2909114.036 3526295.415 2594418.571 124051.5887 103895.8449 133760.583 108844.8655 121619.7291 N-docosahexaenoyl GABA 66595.95264 2597993.619 2935418.195 2595060.202 4676905.727 620652.4468 2717133.026 8485335.711 646981.5109 4362278.207 1477997.165 914096.3578 287651.9678 1629717.696 944836.7178 1177247.188 2863891.805 5589992.796 988567.424 2272128.555 819244.4465 3459678.699 969659.1474 753845.8282 949164.1553 3091232.974 2405585.493 4642231.873 7066663.42 423616.8754 2377682.642 485653.7553 1452066.207 2312657.934 3039451.324 1016681.402 1021855.114 991843.5245 4704208.293 657001.1233 672684.672 4402495.843 862555.7458 2499466.099 1457652.435 1666265.33 978154.2027 2233962.758 2626950.982 2831708.576 1859262.374 3658464.287 1628489.102 2025494.52 1147560.222 4526301.964 2999100.153 2502700.448 1564613.831 644530.0042 307007.85 862988.7716 2410487.928 85871.01488 4193047.343 1014719.868 613295.6177 568373.6025 709413.9565 835438.4455 2410933.292 2466672.897 2799528.731 1276221.382 5263348.991 3247101.618 2832649.481 807745.0914 711207.3563 6116419.547 5058733.679 1089842.552 368356.8992 287516.3131 2764343.414 1718579.666 6437784.307 1272847.366 1286710.85 3379755.426 2776682.449 1854583.986 2297491.151 2922280.278 2105838.466 100354.3679 71384.61911 2729805.177 1907981.648 897755.7357 1132011.226 660442.9912 868347.0547 4264816.08 1204942.872 3235573.485 1108828.157 628250.6582 508907.4871 925315.1607 1680100.269 3782075.731 5439789.083 4000638.459 496576.4709 3190124.897 2813534.033 1272944.711 797359.1587 346067.6922 5490765.389 830213.8674 2092526.703 6536446.461 902322.454 341731.5348 2063380.921 2009479.832 581518.2683 702128.7274 2666201.819 158784.11 232293.3926 2372661.111 3671528.939 12131228.19 4127660.713 4493173.308 1139366.441 1176716.627 2092412.395 1935016.928 884291.082 2974961.23 2650782.605 1241246.906 5439195.249 767128.5608 395471.5324 2869721.933 3156531.389 3220832.112 320308.9086 1549798.22 1850322.29 3394844.97 3190167.089 855231.4574 2858531.564 2874366.378 3934784.072 3151136.601 885901.3996 1210790.091 1518921.115 3925212.087 2042069.99 1475880.931 2505612.832 2415796.067 4006181.422 87736.79916 92287.60163 85614.50667 77506.40795 87470.73727 N-formylloline 206808.4307 6297278.326 3702283.545 5653374.387 10379837.85 5635406.014 7971887.069 8931017.957 3472393.247 4551441.274 7017921.115 4042623.12 5027145.22 13595080.58 12318464.16 2897096.117 26064366.25 12131291.17 5240406.05 6650355.2 1760890.713 5142758.437 6497804.967 11286126.51 10366435.32 3978714.186 6375093.136 8536161.839 7080973.479 11530459.87 4642256.998 23867414.93 3863861.886 8544618.631 5021641.751 4157184.055 6481404.547 15681137.36 8041348.162 5141245.476 7905017.8 8703173.393 7906882.047 5998758.765 10177342.13 6023309.653 4476575.368 3581749.722 3743832.92 5330277.25 3215820.324 13332053.71 6012738.849 11854146.38 6436265.628 5877590.333 7623625.758 16393999.33 5355614.982 2770861.52 12148531.47 5459307.339 9587678.519 2778314.308 4006393.847 5757767.93 6243820.202 7071993.632 1652550.438 4452898.824 12551475.72 3200180.98 5172675.728 2032701.154 5659730.672 6351066.424 2256590.064 4975112.894 7142096.263 13676055.97 2457651.671 3244439.949 4751809.924 1951265.086 1336158.045 4920594.86 3034525.975 4243742.37 4396942.716 1516588.494 3577716.155 8327130.107 8965018.149 3542804.853 4835643.39 227094.4079 213441.5989 3211185.12 4534635.405 4517783.86 4810763.274 10479774.56 4743662.291 4588985.689 2332066.332 2423806.78 11205486.54 5488167.849 7480647.748 6305003.86 4732248.339 5960249.919 4950621.367 4569690.494 6454330.723 4290659.399 5256815.466 6291882.599 7954837.648 5452762.965 5458543.136 4023996.03 5581699.417 5969937.38 2580150.835 4954885.144 2434654.611 2806068.074 6884662.147 15732389.43 4730465.638 4176778.021 3896791.725 5608827.195 2051115.751 9073357.666 3672122.16 6917287.624 1001547.576 3345223.352 740452.6609 3286691.1 6701498.744 2610834.987 4754056.406 7716831.182 6899678.637 3706723.879 6891463.406 4115443.107 6458180.696 4587216.192 1493806.099 3048110.232 6860722.847 4500230.807 3406172.813 3221923.29 4712032.752 3596870.485 6764457.818 3177527.425 1328487.531 1518696.109 4125075.717 6971998.152 3868460.576 2353657.907 2227115.948 4668356.83 6623498.847 252435.5663 216383.0317 230083.8241 246558.3298 230173.8588 N-hexanoyl-homoserine lactone 99780.17246 5808336.321 2971784.13 4168851.209 4331734.612 3775353.239 6879917.222 7922886.676 4855994.394 4316920.297 6011616.161 4555000.401 5713938.377 10954364.6 5397543.879 6083840.71 3086244.61 7860598.264 5686739.193 10490896.87 5072134.254 7709443.079 6339100.808 10939270.72 5082912.327 3027649.19 4513165.446 7581615.37 6329122.905 5987803.251 6027253.365 5213640.892 6454580.542 4217183.027 9851571.405 4295166.874 6754682.879 11360826.61 5370076.047 5520438.922 9114927.817 3616276.572 5760783.506 4365730.676 4243447.817 10541681.51 6387841.528 1482236.663 3610967.461 4044530.394 7822760.147 6020568.051 5863910.049 8986014.931 6414996.382 12591070.05 12517128.02 469945.9765 11100500.12 4463866.366 5643091.289 4166381.605 7300928.93 3019584.187 5020797.97 7334893.607 6541990.44 5565002.215 5040558.884 6863893.164 8795639.227 3050829.329 4115146.703 9349485.038 6356069.565 4461073.772 5013970.873 6012500.306 3774883.878 3526903.065 3047455.87 3394793.435 8394188.278 7822167.195 906641.1804 5386389.286 5975362.393 4262034.626 8048069.065 3315477.651 3278220.767 5935547.895 5311540.103 3026808.785 3414963.291 100356.0628 99824.34895 2582853.373 3400748.171 3535307.127 4379439.5 1077090.424 4477669.896 4358327.464 3172281.833 5539134.745 4890370.645 4546043.206 4545121.058 5794277.742 6831316.362 1246008.052 2124715.166 2427699.112 7446266.014 3909892.805 4194473.076 2659105.861 1371575.781 6357109.629 5778963.245 3888741.293 6394308.455 5355709.972 5885618.247 7452343.209 1740410.206 5415127.647 2582382.517 2326919.669 4237898.636 4727980.503 3393752.124 3664051.96 2510085.072 3626924.494 8619372.657 5455029.776 7265626.129 3258774.605 4346689.659 7155247.464 5864513.69 5507826.758 8936344.755 6651229.437 5141479.758 6052359.052 5630242.843 3440302.829 4608774.273 5051001.252 3303807.343 5925869.356 10192659.67 3543334.439 2277485.886 5544455.455 5954609.085 5927786.279 6660709.018 1860813.664 7205966.896 5368177.786 4107149.105 5405987.592 3837210.451 4552381.091 3390713.713 4884427.008 8430469.009 97070.47338 83917.71909 93176.91228 101812.3415 102555.7948 N-Hydroxy-2-acetamidofluorene 137130.1988 2997040.522 4134292.981 3883269.047 6319575.431 3593983.852 6865530.849 6251420.331 8151566.096 1821597.961 2228198.704 1984769.52 2928629.538 3054892.911 6393559.629 5704433.444 6384331.611 7320344.907 7885547.476 12743367.91 3252793.662 5282556.408 7221963.896 8066588.535 6625591.982 4857900.038 4593873.704 2855371.774 5448461.848 9143715.82 15479492.93 9849225.306 14156496.09 4756550.454 13133392.67 8992803.665 6741589.975 7390739.445 5487315.59 7305752.081 9670356.924 7758933.047 10787006.06 8963313.246 2959497.193 5135798.778 5107751.685 9144357.565 4948232.713 4700077.118 12267482.48 4265026.929 3817790.557 5902185.821 11953696.28 14676254.26 15073701.23 3984180.488 10416325.72 3740419.818 7902578.417 19094356.56 3396966.971 2958205.389 4687455.328 4063241.971 16425427 5177388.067 8716211.371 9173527.958 11092271.37 5414445.526 5889731.924 11946653.42 7844585.894 1796436.114 4618385.335 12741016.18 3152389.721 6161129.904 2636735.725 2664658.749 9033266.337 6453858.888 7515872.268 7914057.629 4433555.904 2141316.976 14135435.94 3606313.261 14485621.04 8146351.232 14546687.57 5658017.384 4942811.767 163313.8601 166447.0241 5105535.939 4737454.56 5412611.894 5526906.274 3861383.121 8482463.344 7676299.593 4327162.336 5367474.359 8443824.047 11107419.17 5607958.084 5963428.525 6082696.348 6085484.79 4534554.804 8406293.576 10415833.8 8378412.928 6327762.888 7322061.319 3477673.799 10305566.82 14123110.55 8233381.517 1836834.234 4319822.747 13475309.3 6751470.062 8466635.18 4041012.579 10685511.9 4415633.559 4699324.874 1709088.562 6988402.11 6478375.209 9243938.365 5988285.426 11087148.35 12550792.19 8727630.854 1883588.11 1587165.745 4073490.324 5058772.566 13053484.5 18171573.27 5999402.293 4136229.918 10049848.45 9407904.863 5647244.556 7444976.236 12624263.59 3013485.803 11340558.23 17355310.75 3777980.591 5495330.608 6446511.568 10704044.26 8473184.902 7005793.63 3265922.132 8072696.729 6404746.114 11668204.8 8380326.369 904531.8322 3569055.702 6390815.67 6515154.679 7937959.031 101139.942 126121.9689 108904.1405 105806.2248 120945.0726 N-linoleoyl dopamine 62821.62963 7309094.094 5535975.286 6999533.034 9161018.18 3930703.641 46834686.51 33922908.4 2233770.454 12619439.21 5152164.628 4392085.32 3575889.739 25765845.5 8843561.924 5301486.207 26345695.27 17850066.74 2646260.293 25498198.25 8169232.857 16658661.54 8482398.677 8176797.895 7621860.659 5599709.253 7940031.361 2584055.787 13687042.73 3915678.354 3553999.189 10891541.81 6986046.919 4106379.96 13007590.59 124603.798 7847940.575 7036508.388 12149563.39 5665494.593 3589644.41 24595249.39 1445254.114 13285937 7864115.262 8099079.253 1683365.205 4743682.969 5983288.342 7357985.345 8572768.729 5874882.069 4268706.536 11890367.96 7620573.861 100154937.4 33493674.88 26275275.18 8119195.607 6494540.149 2661709.753 2835603.324 11976084.34 69273.30115 17194245.2 6284317.22 3345094.308 72454.51806 3893601.757 4325661.554 46492085.57 6225387.279 9115802.681 10922843.39 10155002.29 24881891.72 24258504.6 3652168.665 534211.7701 2282321.265 4130162.065 21382908.87 614619.697 3034634.421 276351.0741 15212682.47 6515265.245 3539201.805 3847567.214 4656608.545 5233663.359 9545503.492 14793676.83 6727345.64 8268885.416 75811.34689 76313.68189 6128821.246 7789056.274 2823358.115 1133421.342 2279845.521 4853948.088 66073501.98 2403590.776 4088267.702 4453057.747 5246834.204 5001259.31 5669303.928 88351.80874 4894288.673 15237042.19 22554274.85 5073532.251 8565522.777 8920765.905 1937452.569 10062602.97 3765841.787 4181693.389 22901753.74 7813101.291 17338925.58 1504862.342 4421152.608 2118740.853 6456372.74 3822318.238 7118148.454 4202401.565 2689079.165 7852393.842 9680150.802 3015339.766 5342821.145 3086575.873 12670622.79 11882278.09 5870819.485 3928195.973 4522838.425 9428758.722 6182296.357 3881320.636 1862346.563 4125458.812 164751.1884 2232701.45 7648046.839 10302498.95 4773977.165 2809493.629 13451851.57 3845800.162 19422824.06 19175078.54 3714668.399 14035128.3 113133.0007 4431641.797 24732320.63 384435.4457 9610949.249 3688640.36 16628709.07 4208165.234 8908008.735 7731230.797 10312467.98 10927239.99 77738.657 80125.90136 80149.8158 78483.31487 88097.4594 N-Methylnicotinicacid1 147373.3786 1146638.21 2880356.349 2372321.922 227424.6738 263076.478 221895629.3 457563521.1 320504.4481 764587.4835 868014.3979 160281.3939 336178.7221 260498816.6 4555566.093 308723.8558 14892055.27 18434117.82 152577.6024 129909.5438 3480325.981 1142736.243 3708008.869 326135.671 2854488.365 3884284.97 2822282.989 149234.4656 212458.2809 2516441.63 114586.6393 2254793.813 384782.8136 628236.3568 330434.624 488639.2388 105100.3045 687585.2145 173911.8295 248638.9059 2510565.813 314663.1731 136986.4753 286869.7956 2277301.771 114256.0657 120179.0225 199469.7288 3634042.702 2806697.655 105956.6328 1747007.084 112066.6584 2048197.879 152030.6891 26713178.12 1234039.336 137536.8653 1533438.119 605573347.8 199888.8033 106565.155 1633805.521 308027.357 30852030.49 223661.587 120910.5954 2104747.682 454335.5992 547554.1802 139073.4023 4565197.731 3644116.62 223102.1563 2386061.9 149440.3602 123247.4091 629788.4932 2816167.543 378535.5511 491737.97 706797.7105 211168.7885 194679.0768 236126.7345 102999.0368 106552.0885 341074.5975 178445.4914 188263.255 141272.7729 879152.8229 168187.6344 4665919.181 3270375.732 129385.6218 141950.3957 3561454.65 2916485.713 147212.854 160420.6178 257191.988 127089.7977 114919.7167 386558.2305 240819340.9 111894.3782 10824546.63 25702725.17 238724.3748 72324.67766 261791.0277 129018.7872 132350.1664 193667.5985 5581876.039 3652127.698 4303193.784 231267.1026 57205387.61 174038.0157 221564.6509 58747328 453931.2005 301526.9622 97346137.53 542390.4111 60225.64618 146524.5063 210469.6257 123633.2157 276016.7576 5374032.844 3809863.149 265756.11 5055172.768 108011.0607 170104.4628 115368142.6 2052684.264 145835.3282 2014036.031 14243469.43 65503.23638 561867.1244 4194401.414 124032.846 826896.5137 3917140.851 6119139.126 4566418.429 1767468.171 116262.6728 208413.9897 3882656.788 192466.5933 107940.9851 1444427.773 19318052.02 270173.9757 127576.6472 161234424.5 21530682.81 442436.9493 119130.5406 159675.8885 118369.4875 123508.8802 7038374.144 4975513.354 2956791.472 130128.4044 124390.1063 135902.4764 125380.6949 134923.1485 N-Methylnicotinicacid2 2867781.305 95559133.29 35493004.85 76571049.79 121274244.9 1939115.224 3584897.588 47711340.72 5199501.993 4247614.385 14706014.09 4856217.766 27174302.56 23423046.49 4001785.418 34150422.82 177187108.9 11861045.88 3270439.007 47943028.1 17541715.18 57899605.83 77000006.83 26122236.3 164859390.3 34603594.58 80695913.03 6252978.448 4284042.802 7327003.116 45844392.62 87851090.43 652576659.4 19206478.31 106836806.1 8443728.081 7670226.353 104643083.7 3552072.105 33971184.94 5290182.342 8122290.267 6201161.099 1407140.579 1058426.203 11652139.71 10691838.02 5430511.397 33305930.28 78220338.12 27590044.02 45185138.19 376900.3305 42645283.97 1633633.164 6249696.105 6769165.081 2704729.339 10955916.11 15902138.81 7942306.025 2234912.672 21376436.37 6239916.458 81312051.66 7464611.485 2940693.885 137021729.5 4138085.195 2247176.865 20034647.15 24913426.97 50370857.04 1192991.14 2828633.11 55300760.46 1296401.871 89344167.08 4564651.146 72934326.96 14438744.11 23805652.44 3879991.766 5591257.998 7392843.993 7356085.205 8870787.289 100479742.3 12415726.34 20646978.97 309034.3172 6497467.295 4088273.669 21069463.93 49975001.25 1912881.941 239069.4601 28492439.41 64694096.25 119732872.1 3789161.841 2643635.883 10118072.29 4593876.438 93467341.73 1758537.018 44585412.39 203404155.2 18108982.02 27596454.7 13937138.28 102694592.2 6063372.203 1558160.898 15249642.19 19919706.12 45371463.85 357453910.6 126142251.5 4145484.66 4811343.757 5680338.101 37234298.35 14103447.49 60917512.38 32929208.43 11565794.5 9537100.599 156084434.4 16372737.97 45493814.93 4349665.91 22140807.91 44602292.87 19087314.36 39419404.45 7694182.046 3227214.608 20236111.3 15890232.6 1877151.002 5514452.384 298066642 515743553.2 10892754.44 21423332.27 13970980.65 2528385.1 22716017.75 24270734.42 55692801.2 6252049.364 5042554.48 3001525.6 35888285.81 14380362.28 3579736.119 24860872.36 100111233.2 5596156.392 3401003.578 93287764.45 1387948.136 17718648.09 62168364.56 43077712.03 9867855.765 1227665.126 29400035.41 60511309.63 82387582.38 113576.9518 134280.8107 119303.2497 112196.7232 123794.0371 N-oleoyl L-serine 132420.4344 15076027.84 12571351.18 13308786.61 22335312.09 23811529.19 19039637.5 57816635.96 16963819.58 23265224.02 10171039.6 32343934.12 23375647.2 20146732.88 63610418.62 15453758.25 17918023.01 32059839.55 23351011.73 48167026.81 27773200.51 25560363.13 43071318.71 40853394.89 60677158.24 16876844.77 17313181.74 76823741.75 51827661.19 35699103.03 16012538.38 26678959.17 28830123.6 23131745.12 40177357.07 33189373.4 34491748.03 39952157.5 77307426.3 41529017.67 32969659.93 34891325.05 80911784.68 43675729.64 15907451.76 23728017.41 36256741.31 24165785.54 18920987.47 18895623.2 34983095.4 15544587.4 24045723.86 53222576.31 50693393.15 58546622.47 61031681.87 45993853.24 37358288.97 16066462.89 54578556.65 91688814.3 70181898.76 47356141.06 25717383.73 74800240.5 45352125.22 35067762.6 73483567.77 47353480.26 102926734.7 27528908.48 32184849.36 53678696.52 60661696.23 36859624.55 79127920.24 28913332.76 25580385.56 49957172.27 34568495.25 43876856.52 25452098.5 10248174.89 22909924.05 52813571.28 57617461.51 49866826.64 76086261.4 24660511.94 92787649.8 32869170.48 34601316.91 29836723.24 29217017.65 150312.4589 123625.922 26742977.9 26405094.36 30009642.81 50232306.72 123534811.3 57489199.19 33469976.81 18521495.93 66301603.61 42861777.72 48650931.77 100781065.4 82675107 43355435.99 63808487.78 38869787.44 74951161.99 19700775.29 38776296.82 31769715.72 54989149.52 67050101.09 116069942.9 57968610.3 53031879.29 75831448.09 79259295.92 28715725.34 69602397.51 89670484.05 138147228.2 48528265.26 36371057.6 60349774.89 80276473.81 36371158.77 34668763.68 73453404.68 24669561.66 36238661.55 48153241.28 103864011.6 55648452.55 64881947.91 73130754.05 68274396.98 59344687.08 24854682.18 28103689.41 20919069.51 98521588.64 93525244.69 39563966.33 40347928.66 62677451.68 49211141.92 61019133.42 57723062.07 34008655.45 27333338 65193647.96 25436557.28 153280045.1 90118464.43 83836928.61 98657270.66 96884907.55 23210021.26 65804804.26 97938304.34 40876527.1 51715766.48 52588186.46 49867599.4 130049.3807 108919.1233 140227.7968 114107.4249 127499.9427 N-oleoyl threonine 125824.1661 177919.7645 243827.686 274126.5479 767659.6708 743450.0845 292210.4742 1660766.379 186256.878 454907.3043 184667.1315 680068.918 780146.3136 748701.9306 1586471.555 370032.263 350581.7297 1002908.158 290150.7141 792291.3324 1454065.117 378338.2573 1040205.304 947656.3602 1532095.924 402300.6753 452812.8988 1490068.35 936429.051 708097.6455 659504.8997 692050.9696 676273.1125 371733.655 594026.4755 491090.5482 806367.8697 915048.8598 1090013.341 743885.7362 870334.3404 662400.6298 1444685.036 805359.2671 303960.0738 860088.9182 727425.4037 532754.7534 534745.9135 397906.8041 1143005.89 421552.4068 641997.6955 1180962.32 1092368.321 2381690.94 1572964.501 1263229.516 699093.2641 605440.0046 1231040.372 1683718.163 1521059.777 1186857.046 620528.2791 1482915.369 803028.0245 956322.427 1618642.025 1436151.234 2205407.031 823029.4318 1093406.131 1226611.855 1791745.514 990626.7321 1500123.534 1292225.996 846231.5586 1517710.221 804330.0992 2064192.273 626675.3084 153922.843 667853.9724 1222570.995 1118247.593 907665.1953 1606312.518 472814.1501 1863351.401 773083.9771 606476.2184 630937.0432 803607.0506 117441.9426 117467.7353 708775.3505 687707.4186 1115643.205 929274.4979 2207352.09 1148475.884 571835.3867 702390.5386 1846958.671 869165.4733 1207404.937 2092842.486 2068211.024 841245.5618 2235045.441 786440.8659 1255846.681 807073.9336 891102.2617 472206.207 2111150.448 1937313.148 2155115.762 1907094.986 936585.7279 2131336.102 2153896.707 1019225.974 1753595.137 1954669.698 2667486.645 1422993.74 1581521.841 1556839.148 1920547.432 1102667.519 870357.5319 2552293.22 1182907.758 1146806.852 841272.1478 3615857.914 1788870.89 1516566.108 3092695.25 1939292.427 1914365.229 429433.4929 456963.8573 397246.7462 2052065.46 1735586.174 825977.6935 1041491.099 1376286.958 725040.3219 1289141.026 804366.7636 1229533.245 899437.9616 2641293.309 387974.3636 3259218.587 2111953.226 3411906.279 2626877.368 2045649.552 338004.4786 1486894.951 2580104.194 643947.176 1593442.058 1292984.823 1374225.276 107726.5705 103493.5274 133242.6198 108423.3838 121148.7791 N-palmitoyl glutamic acid 182151.1122 2263543.817 1908491.246 1682299.919 3621803.934 3209786.367 2488715.564 13053735.33 2233162.358 2665393.736 1355729.97 2963949.445 2296436.732 3556790.82 6968319.467 1953315.225 3828365.472 6384070.45 2416998.656 3532086.502 2339220.731 3213923.594 4227799.598 3338385.267 6037455.913 2103021.312 2369278.713 3485772.416 7415584.871 2553721.212 2621726.197 2479699.45 3663606.288 1557625.291 3482035.939 1426451.689 2718529.071 3391818.828 5728508.517 4036485.035 2506025.292 6015289.47 5880652.358 4480670.937 1053855.644 3385385.429 4177686.715 3378957.714 2342908.083 2304442.983 2745694.457 1777852.759 2193885.456 5459077.179 5720315.639 6060063.653 7902675.64 5655530.7 4147795.578 1827796.347 5046842.251 5718639.61 4416668.241 2556655.806 2463993.94 5525787.559 2578041.971 3190928.421 3374186.35 3503570.42 7380182.446 1622813.642 2305622.804 3576498.074 4444693.85 3898902.134 4945206.248 2141471.255 2275922.472 9832075.448 1774173.815 3945719.288 1757994.55 615731.4337 3808430.517 4482817.706 5756666.104 3499597.431 5734767.036 4200264.367 6202535.936 3783852.352 2861858.39 2924166.372 3036509.847 238191.0872 164209.2857 2550484.982 2386829.039 5448184.686 3419248.27 12785975.32 8974617.957 3825288.661 1152582.912 6703098.871 2281835.261 3931167.343 7010070.346 4693302.391 3900337.598 10371074.42 2382379.322 8905618.462 561784.6533 2452560.394 3641302.388 8802746.486 5743638.975 5521869.355 5874595.802 5778245.606 5802302.886 4451600.816 3777964.723 5645331.9 3595898.184 5308656.832 4119183.128 4673857.892 3922352.131 5114613.993 3840237.694 4262869.71 7789802.735 3102148.5 4399296.1 2979708.892 5784179.355 6244440.799 4957670.199 5140054.45 5194946.494 6898432.315 3604092.83 4335200.581 3293373.22 5721882.788 6529404.383 4542104.729 4782687.622 7901484.933 4722169.867 5508998.529 9766997.761 3035173.566 824399.8106 12608766.36 3945488.216 6612977.505 2567147.211 12699033.07 4154359.808 4917018.053 1985997.922 4808988.552 6374331.617 2121411.621 2755701.83 5197171.767 4156432.16 243841.7821 190798.0824 185672.2073 224931.5107 185900.4596 N-palmitoyl serine 119632.2541 9829592.082 10068527.29 10105141.17 18549531.36 16094017.08 8859468.267 42820668.2 8990957.883 22553796.87 6468571.897 20238632.42 28237812.77 15857596.78 46935093.7 10197661.62 11013496.2 24789281.23 10871666.72 21984895.04 25514765.51 17214877.58 26599170.36 24990820.28 39001987.14 12007175.81 12978209.82 69252466.12 24288378.34 18230056.23 15840533.22 16820948.22 18213574.57 25202517.62 21448718.88 24948742.29 29166053.85 20818335.19 33381820.54 38989313.96 24712426.13 24031802.13 45547556.51 26086115.19 9554332.841 20688901.12 22511300.02 14054643.71 14513637.03 14320142.77 27363707.37 8359730.733 14322011.43 34119891.3 25574239.49 38295553.06 39154689.55 31722400.08 23906620.6 13787075.95 41519218.72 49013506.78 40029117.37 31061687.44 16213391.28 42155681.02 18737630.69 18688413.23 60264592.72 25066845.65 50323217.54 20177462.27 24214264.08 43652335.81 22436501.77 24813422.18 62582445.93 18086080.63 21343519.65 35543139.55 19957663.75 35841201.83 17996913.42 10004899.96 19714586.22 34273555.45 34403923.15 38537031.74 52024499.92 22914865.42 38637101.52 30281093.56 16327387.18 23319321.42 23403525.37 151974.3501 122957.8397 20729045.12 21286036.88 28506900.73 37063819.31 79060624.14 40838931.36 31150318.04 18515054.61 37971707.12 27244402.52 33308186.12 65332069.44 67684350.37 30756974.82 59715519.88 31377055.3 49095033.8 14065278.84 32941368.95 26942654.32 61537205.55 41264734.18 74527507.02 42515800.49 54949598.92 50539545.67 63881715.86 24341284.28 44954051.75 69352185.17 117801257.7 44357043.22 19106005.42 61101821.69 59626979.6 31445303.16 30285984.41 59331318.62 28989593.7 34127097.39 27144023.56 120121999.9 51617657.58 71692263 57904640.61 51829820.2 51358604.94 21896661.3 18105975.86 22083813.28 60870195 53106464.1 33207779.44 34553186.13 45241418.06 33689302.06 33182582.88 44811924.54 36432746.43 34951933.95 74760895.38 28130376.85 124374938.1 80279024.14 60475453.19 53601003.11 125658387.2 15679712.83 42154742.17 102885615 28739461.79 40703235.27 41489050.79 30937483.41 139248.8129 113573.4529 128708.0534 116280.3051 139706.0571 N-palmitoyl threonine 128958.2799 2145226.355 2006108.332 2238944.028 3225231.665 1929926.877 3364144.602 9774613.581 1078638.385 1964209.543 3222879.162 1858758.619 2518969.424 5298864.615 4952428.989 2158886.512 1899505.05 7408304.32 2111261.548 2380933.046 17117363.41 2151772.29 6463734.945 3065821.327 9175814.644 2411938.438 3010499.271 3493917.725 1917140.143 2659159.052 4603219.256 6010655.906 3474984.283 2092963.181 2155071.641 2139621.775 3239203.309 2976509.259 1975015.716 2944232.977 5785510.101 3280955.762 4591044.63 3024456.817 2143768.463 6226647.044 2915869.58 2093007.47 2881914.732 3352649.976 4081805.65 3343990.692 1319290.767 6458851.523 2653921.385 38462983.58 9007872.209 3143084.112 3885959.772 6038527.833 5247700.4 3185997.821 6084228.324 6334199.174 2903173.432 5706186.989 3619796.742 8584579.84 5900486.645 7072352.819 9821641.85 3898572.426 5433792.977 6785092.674 7313613.729 6104582.655 5972708.006 8641408.384 3547202.78 4455324.251 4724443.191 17897159.36 3976510.905 1304408.146 2718137.394 4754320.728 3616013.449 3678726.102 4648835.239 2848266.868 4149848.659 5348574.775 3428972.684 4410140.461 5270356.398 146382.5144 120393.7015 4310880.619 4891282.169 5410413.46 3520824.603 6445472.396 5362743.721 2647435.117 3590437.413 8225097.636 7639125.226 8407310.892 6064838.925 5859435.497 3423147.957 10825069.7 4734349.924 3653351.862 7228068.976 6268259.339 5759709.609 6993551.69 15585876.09 5179200.656 8764041.443 3654774.8 23415304.68 18879670.26 4738417.143 12160682.39 5009217.677 10413213.89 7861827.498 24711466.48 6233204.992 20563685.42 5794291.934 6148152.721 13303995.59 7054715.942 6860722.564 2711637.824 12356476.08 7917165.595 4933767.759 47116898.03 17647026.86 7861095.468 2653792.422 2837794.785 3767371.319 4661156.261 3681113.537 6440642.642 6986712.902 11108673.69 3234297.621 5510531.363 3496519.798 9076900.067 4639938.045 17854393.63 7225085.889 31964222.61 7988411.826 25617471.82 22828837.03 7936661.185 2139937.448 5330532.119 12454575.38 3565356.777 8152979.753 9628504.414 7202612.07 136602.8203 111270.2053 136561.5175 111124.0671 124166.4352 N-stearoyl serine 131841.4393 4208448.946 7061495.894 6740003.861 9044713.708 8972267.243 4435761.27 18957459.67 4995512.587 6727401.445 3171924.477 8474700.356 10233994.72 5287045.333 12335594.79 4916152.178 6348021.46 11721430.42 5706627.647 7402066.365 7672428.975 5765501.944 10527998.66 10162725.76 11606200.95 9106866.499 9103008.842 18083335.74 7127616.95 7968606.881 8964462.402 7642078.945 6955590.643 7671023.129 8331679.836 6720353.724 8100585.362 9594108.67 13996882.42 8862887.577 9431280.219 7929353.883 12470078.51 8512235.771 4265136.803 10480090.57 8323039.321 5865963.138 10466382.25 9629018.509 9139454.363 5402019.373 8316610.287 9589375.778 8787684.64 15179992.49 14983104.07 16518392.06 7504418.517 6141800.85 13964924.05 14928251.04 14836728.13 14438248.73 7927194.177 17334158.08 9569984.267 10231768.03 17227953.75 16186545.81 15929956.37 14866263.31 16481687.25 14500292.13 16210233.42 8217968.949 19833807.78 10967801.47 10586997.16 17356019.66 11104361.29 12226497.73 8309233.282 8276700.921 8659711.075 13457811.86 12066274.86 11297077.71 12315440.19 8681496.533 16885752.29 9263258.407 6942729.587 15533160.42 14646339.13 354405.6965 190216.9119 13943425.28 13858433.32 13711815.3 10390764.41 25666564.33 11097904.51 8952383.605 7141380.347 14248358.67 12858237.92 11554575.11 22986889.07 21511297.4 10383490.98 18502898.51 10457220.31 15555687.73 9825103.166 20091795.19 16173373.39 25253424.03 18440935.49 18180296.12 17912742.87 13553659.04 16277552.67 17697798 11571523.13 18103546.49 21524394.3 32648913.54 16577095.45 8121560.675 16700676.61 22473275.28 19043390.66 17594574.66 18560672.07 14139772.8 13378292.92 12333412.44 24440557.25 16665957.84 15770825.87 17251565.24 23429860.69 18674096.7 8961014.602 7216098.507 7415073.688 24175879.28 22905548.43 20950436.14 20428788.15 13626906.18 15193650.48 16498881.22 12178656.94 11425674.13 14011682.61 25036169.21 10932386.41 26122042.34 24184052.04 23752953.66 19204782.42 24901952.24 7546009.461 17257174.74 27261270.24 9624619.895 27235275.2 27124323.55 13046770.77 140407.9306 120319.606 139614.6648 113608.5016 143324.257 N-tetradecanoyl-homoserine lactone 119640.6608 9829592.082 10068527.29 10105141.17 18549531.36 16094017.08 8859468.267 42820668.2 8990957.883 22553796.87 6468571.897 20238632.42 28237812.77 15857596.78 46935093.7 10197661.62 11013496.2 24789281.23 10871666.72 21984895.04 25514765.51 17214877.58 26599170.36 24990820.28 39001987.14 12007175.81 12978209.82 69252466.12 24288378.34 18230056.23 15840533.22 16820948.22 18213574.57 25202517.62 21448718.88 24948742.29 29166053.85 20818335.19 33381820.54 38989313.96 24712426.13 24031802.13 45547556.51 26086115.19 9554332.841 20688901.12 22511300.02 14054643.71 14513637.03 14320142.77 27363707.37 8359730.733 14322011.43 34119891.3 25574239.49 38295553.06 39154689.55 31722400.08 23906620.6 13787075.95 41519218.72 49013506.78 40029117.37 31061687.44 16213391.28 42155681.02 18737630.69 18688413.23 60264592.72 25066845.65 50323217.54 20177462.27 24214264.08 43652335.81 22436501.77 24813422.18 62582445.93 18086080.63 21343519.65 35543139.55 19957663.75 35841201.83 17996913.42 10004899.96 19714586.22 34273555.45 34403923.15 38537031.74 52024499.92 22914865.42 38637101.52 30281093.56 16327387.18 23319321.42 23403525.37 143194.7329 117771.88 20729045.12 21286036.88 28506900.73 37063819.31 79060624.14 40838931.36 31150318.04 18515054.61 37971707.12 27244402.52 33308186.12 65332069.44 67684350.37 30756974.82 59715519.88 31377055.3 49095033.8 14065278.84 32941368.95 26942654.32 61537205.55 41264734.18 74527507.02 42515800.49 54949598.92 50539545.67 63881715.86 24341284.28 44954051.75 69352185.17 117801257.7 44357043.22 19106005.42 61101821.69 59626979.6 31445303.16 30285984.41 59331318.62 28989593.7 34127097.39 27144023.56 120121999.9 51617657.58 71692263 57904640.61 51829820.2 51358604.94 21896661.3 18105975.86 22083813.28 60870195 53106464.1 33207779.44 34553186.13 45241418.06 33689302.06 33182582.88 44811924.54 36432746.43 34951933.95 74760895.38 28130376.85 124374938.1 80279024.14 60475453.19 53601003.11 125658387.2 15679712.83 42154742.17 102885615 28739461.79 40703235.27 41489050.79 30937483.41 133628.0118 112851.9292 133587.6084 116288.4763 137873.8588 N,N-Bis(2-hydroxyethyl)dodecanamide 518574.8109 5571606.553 4174850.481 1100222.563 8654950.094 16848215.63 3219874.969 643184.678 7112851.75 2451478.846 7330140.855 4567196.748 11655216.19 9456863.167 16971960.83 2864701.715 1035861.281 2734594.166 3699285.971 420095.7498 12167195.02 1809478.532 1088746.086 988150.6601 8224685.649 4026249.172 664325.6942 17014867.71 5311490.763 1328428.099 5032587.799 1813093.907 4012744.024 381497.543 1499444.504 238288.0472 4794328.325 11838733.27 839074.0431 5935826.994 812063.395 403622.392 784856.4964 4979714.973 2019490.864 11074599.42 5708642.767 798150.249 7924425.186 798335.636 1962196.724 3437328.462 2171783.673 3939180.584 945512.9413 843939.9346 1327131.566 12204907.04 2800965.117 928319.2004 19247328.03 548513.8415 12250318.99 6683506.293 374007.8621 757489.6924 454610.615 5540410.031 6254062.062 2114307.597 895109.0305 957314.0111 15896502.31 4832401.25 2536821.73 16042401.93 3661084.155 1414131.838 4096864.509 387276.8676 3466404.482 6067086.509 4308156.439 803617.4037 3174478.249 1594772.751 308789.6048 7640716.558 11892620.31 3233081.131 841966.8192 1942005.604 1958581.332 2475841.472 5843567.937 2552731.255 208760.1036 672485.7167 614170.3857 175779.5308 190309.2881 358208.7908 392774.6864 209252.6569 169053.974 229102.3928 746359.669 368729.4156 343024.9947 255660.6239 564009.3983 218989.1211 221582.2802 235661.2025 287037.4437 746819.3949 681727.4535 682770.1209 220959.8062 205107.6255 665204.4455 206576.5192 289637.665 760326.9729 294909.984 980641.4586 263594.9502 1128235.099 155502.8703 156518.0658 174791.3708 815735.0154 686880.519 683785.4338 165851.6007 200071.8768 120806.1083 786430.0469 202124.4679 130490.5214 174474.6974 655139.3531 200263.7301 292754.5072 730111.1517 1136901.479 160645.0713 151892.3906 226209.3126 660922.5765 730919.9663 165215.578 219336.5081 131938.2493 812844.2768 137520.0279 176670.8788 552421.24 109733.7391 136208.991 229287.3518 139127.0789 296915.7443 181402.7889 166947.08 220584.32 879131.5554 137035.296 741084.7311 738429.9238 115416.43 225407.2255 138659.8574 147723.9673 131506.3354 178853.8891 N,N-diethyl-3-hydroxybut-2-enamide 993007.2057 27789722.59 12863519.32 13147727.41 6356636.449 10911527.71 22968574.87 107950948 12843236.7 4207881.329 48580304.98 8588839.735 26157462.24 15332583.48 12406317.52 38719392.45 22454081.45 69657553.81 5676002.236 32538677.21 26382805.49 22221295.31 14473891.41 28269015.85 22764252.52 18132053.83 20768758.07 4984752.992 8946718.037 59632442.38 18367752.31 16414377.14 53609886.13 14141978.99 23622482.96 44009226.83 10256938.05 29675408.75 25853165.23 19020620.44 25002568.01 8944497.346 24474383.33 19408030.25 17507630.02 17820493.65 27589942.33 21722222.25 18146524.33 19545321.1 27336219.01 20266395.48 8291400.911 23155972.88 27441758.02 29368232.49 23108018.32 7535035.268 18169744.06 82825122.68 29743876.7 15874509.15 17025897.77 182043990.1 32645328.48 4742769.37 22583483.26 75496865.75 13777647.29 14843637.39 11819963.77 20316725.48 22354877.99 24643955 18320594.81 26680963.08 23903037.66 34334312.78 29302869.66 18134018.71 286266493.4 13005920.84 27579963.51 14659286.17 16720221.57 32004653.12 20459669.99 17796307.1 22608772.62 43066837.05 9664959.033 18602875.17 20853952.36 19197823.38 21117659.99 1053041.373 985192.2636 17476770.38 19848217.19 39237829.57 21029173.84 24057070 4961823.614 6146575.739 68434895.81 43475676.33 38168494.85 35031862.86 18383916.65 11204806.17 15366699.2 26415478.33 4942515.201 7782994.541 19457114.6 21547999.08 21695865.49 7715090.693 40427056.41 12327243.44 13702611.11 15302301.76 55823329.96 14989062.84 27784414.08 56412992.92 12438724.8 13906623.67 38315563.55 11927520.59 15194238.02 37800972.57 20306368.83 22384919.14 17828375.79 15184365.53 27865403.81 10572185.1 59544924.66 22907905.09 38579685.85 30053762.15 36711214.68 18451219.97 15622313.1 48839615.95 8704389.124 19302316.3 18665174.42 20088208.72 23184591.16 20795935.18 4960375.469 21573503.8 22691957.83 23297550.6 10027862.84 31571524.56 47425093.3 599954463 5408195.099 27932523.36 29916774.42 25513017.32 9193456.333 20685275.91 26258034.55 4701718.442 21471941.66 23508406.34 36898160.17 814410.5089 668853.9318 722247.3685 606729.8909 646564.4636 N,N-Dimethyl-1-pentadecanamine 490509.0266 348500.1679 391185.6505 265239.9499 401944.6085 627299.6274 377455.8203 2125140.998 1522506.367 3739824.381 692681.1624 323486.6617 694536.5369 2661793.387 803507.8421 440785.5124 328764.9175 170583.1155 898455.7981 284469.8529 210300.4088 602386.0335 259580.1385 304797.5904 162163.0453 555953.8193 162564.0322 1047293.409 283033.2256 267962.7364 2232144.573 394501.1863 3129838.642 1002317.176 802686.0991 215639.2887 5920442.16 159354.2728 325281.902 117577.4544 15139892.18 398233.6216 264802.9539 285277.6184 161706.8359 677675.3653 233414.6698 585897.063 291511.4146 291262.2736 7454650.903 286918.1055 202478.3316 265103.1617 214471.1202 275822.0792 527927.1937 601155.9974 588567.7194 246709.7671 644296.1981 411839.1309 283592.8317 1270525.23 200708.0804 471757.2248 241887.5567 1815006.401 38058954.15 385410.5605 322977.4957 606276.0442 530033.3868 106128280.4 381200.5693 433950.0998 229418.1997 2239821.585 466431.456 736197.2586 1963876.488 184924.4862 410775.7036 500657.4706 10207836.1 173965.3207 425960.2769 236236.817 689902.7571 890424.8633 198122.4217 948330.8333 199283.1324 598183.3132 240537.0473 1177443.198 865764.3892 900443.4929 982574.2279 487894.9675 576867.5115 661599.0668 1615735.579 685536.6345 731691.4956 482624.4493 786487.4334 851856.259 454630.5455 2024542.28 644760.6078 621252.2126 26365597.6 500010.2746 807502.501 509551.9034 581855.1218 3598748.231 494148.9735 531959.9913 389642.9667 1378140.932 465478.0285 1140342.261 2770575.042 2691128.088 576137.464 239903.0583 473016.3002 679962.234 800513.1261 1021288.091 598697.0743 1915068.572 651668.1772 659517.5037 510555.1516 780051.7454 348719.3094 354774.9277 537448.1757 556197.8593 210350.9128 1173589.889 652229.2354 1130912.839 1605459.513 815386.4251 400759.3043 737886.1841 1098194.415 606951.0441 530543.7807 2595023.197 551246.1541 475835.6586 619274.4127 725640.3493 324693.216 3734461.967 911733.1021 654717.4889 547399.1463 245158.564 796804.413 582142.2715 978363.8043 306661.3715 735356.766 332438.7938 385751.6574 881864.1447 795075.9059 851090.1431 725108.8971 1063778.98 N1-[1-(2-furylcarbonyl)-4-piperidyl]benzamide 659924.6163 107917254.9 9339672.189 3716657.456 352748708.7 94161292.28 133598282.2 205712199.6 273274471.6 84667031.77 122925687.7 145928879.5 121500749.7 175210018 247084647.6 198704905.7 127661747.3 112444312.7 196112204 299322664.9 191117190.6 325507718.9 211907054.4 183148515.8 327223829.3 6269714.667 3091584.102 194424420.7 366656216.2 238038708.9 133068973 185341331.2 206799458.1 223048836.2 216226536.3 201254708.6 77548883.2 163523404.4 421621506 121035601.4 126012805 298944915.4 454843475.6 313337694.1 168630475.1 139300947.2 201367333.9 224610118.7 1299397.255 1153268.328 157796079.6 251891055.3 233622340.5 176082384.2 203345753 313016229.2 226720488.8 134789937.6 193434003 84233694.76 149119499.6 241804898.4 91735725.68 145576036.6 146961869.5 107963714.2 206467971.7 121886517.1 152496199.1 107162471.9 202887061.7 1762975.636 1104969.919 127586241.5 189715982 84781615.4 190019196.3 94367933.03 120838215.2 292002670.8 147651940.5 187362934.9 110378874.8 134810441.2 98340449.73 160551356.1 160276081.5 88810862.1 140333762.8 112266627.4 222520859.2 98988137.63 111470753 2662272.477 1059281.266 1122291.961 246605.665 1140987.956 725511.6939 238030869.9 205171496.4 488358567.9 167715400.4 148311760.9 152919954.3 278685228.2 121405104.8 144851562.9 447262207.2 267803933.2 179819178.3 130522429.6 219893962.4 320888495.9 206052199 944544.0409 6463313.526 48299444.21 253787562.7 173100065.4 75314172.16 123909816.2 181705145.2 138342977.2 121388919.3 115346738.6 210273976.2 98316671.65 129975015.5 134491795.2 103813476.8 150217642.9 3238237.742 807747.0681 90059679.76 97222867.78 75788007.12 88840207.8 173978318.5 70363826.49 135972964.3 107403258.8 113872018.7 108811821.6 79371847.92 55581242.5 112959181.9 85200848.91 122236278.5 1733848.547 935405.6765 93621342.58 91687444.46 44742793.35 60999223.65 51182462.04 82673329.42 56847214.27 43442643.79 77315198.06 98758257.91 71851098.43 46214700.6 50028018.34 42610541.27 144126622.3 58996703.71 69493520.82 5060434.325 4677084.508 49246813.43 266270.6991 186713.5132 180378.1914 184366.1672 227558.3876 N1-Methyl-2-pyridone-5-carboxamide 115644.1205 1005623.6 1187527.6 1474155.356 465158.9807 994830.6193 1060076.933 2592177.51 289622.8873 532558.1549 2309634.112 2173579.916 400632.2777 2016978.376 1272972.23 6933161.089 58251.84527 636259.6247 1820588.688 979474.9927 881399.3777 2246954.091 5919252.088 4242797.714 2466290.478 1206522.56 1632114.687 1487714.441 1312408.925 9106499.512 1314672.806 892766.1614 2196814.336 3695634.419 4569621.069 911780.533 2606258.214 1195910.108 840305.1483 3026509.592 2381159.438 1389875.078 41268.21922 5666927.39 1502847.364 6468097.136 200975.5684 2573620.192 1546218.36 1964377.352 1128928.827 1338289.345 951306.8746 1283307.288 1655842.148 10008726.63 13431850.34 655096.0297 1081813.886 2758515.511 658950.1117 6233014.146 1730855.778 846934.2895 2324228.473 2622591.147 812416.7717 3293364.363 1416527.567 8626201.599 192279.7674 1622297.792 2305585.935 4409512.507 2671740.931 1537633.392 1487314.81 285329.9542 577540.1998 1843760.364 302838.9722 139954.03 2076969.928 194495.6701 1604958.533 1659292.72 616838.9965 519784.2271 471295.7415 1157868.875 1665330.895 283282.3299 448782.4266 1728967.108 2252453.605 94667.54514 83547.0849 1444713.329 2008316.288 160573.8333 780521.4929 134096.0859 5315591.074 4975868.714 404384.4083 1181874.705 4485410.693 119125.5894 1867106.952 2159545.013 2857007.893 139544.2387 2297866.055 1786683.656 7331676.961 1986745.961 2098137.667 434814.4901 351127.4738 1551451.976 4631000.403 247334.6805 1367426.203 684910.7717 2702864.474 1137575.273 1547363.156 1592493.657 385198.9511 6187660.149 283872.4355 209681.7979 1966559.578 2293687.349 1180467.698 1840634.855 450033.8694 441855.5536 1213765.582 164348.2944 552586.217 2180457.265 7959450.277 141990.6819 864948.4885 270341.0261 5708309.754 4881953.233 6515460.118 2395062.306 2546751.526 2284491.912 1001607.09 1612975.015 3735754.972 3477974.056 3334232.432 15758339.58 1069249.947 1986703.547 1907694.666 466584.4173 2376304.237 3230015.728 140584.1738 883525.6054 1041383.76 2617320.143 2295590.153 2987770.645 1928836.056 72287.7455 86766.96474 77648.73584 87577.57622 81847.17648 Nadolol 127349.3142 25501098.29 26221795.54 32383089.7 18024704.94 50015022.43 41839202.49 41667826.58 23420017.86 40860751.15 46864845.01 49975858.84 36646883.55 63954461.06 33670647.58 56017014.23 73042411.82 41914669.97 31595899.72 49900937.5 47450958.59 41121096.64 23860019.35 46253492.47 20783429.96 30310894.77 38476945.79 32388842.74 28615768.12 49275034.54 67994321.02 54740512.55 72803785.28 50014475.62 36827094.93 36419751.65 41255484.57 31269887.02 40446727.77 50378770.88 58725526.76 64906373.99 26322858.56 64550873.33 42328952.88 55552515.36 70985829.31 33751235.78 32325152.24 37052440.85 32143590.94 41043786.34 31790582.38 25223726 25395903.11 83324204.85 67315293.3 77171726.37 36726712.64 53128164.65 55552068.72 39269330.36 48770793.85 84590109.96 34354922.82 41164162.02 36044345.93 101425219.6 34114122.23 38926920.99 28854672.21 28660247.74 38891422.08 43850604.61 19367022.4 32489106.91 36440923.5 49708630.9 50138564.23 27197852.16 28385632.14 32505378.69 41864323.14 26996923.47 28708570.26 50182903.91 27728782.64 38214461.78 30768622.78 28258416.76 25285386.18 51259059.11 31031573.1 31839371.05 37643817.57 137488.9011 110478.9616 25429247.42 29960676.55 49547789.54 29965189.09 73271868.76 61482108.09 30328811.75 40336684.61 41335195.83 25417154.54 32995488.22 27513769.65 55538075.3 32726490.16 64678840.61 35237550.82 21529113.94 20291796.47 37029138.14 37601806.77 26924763.03 82390866.96 24501023.82 54541029.92 35505233.93 45699058.84 34081647.06 36162698.34 60589241.64 17511481.96 53313452.36 37812488.1 47541864.9 51492061.24 30180033.29 37772671.75 42961473.91 31898511.89 36872168.16 30334926.44 40506839.29 41088990.43 60203687.94 18631593.14 26084193.1 42034936.84 37710524.3 40101959.71 28064558.25 31200515.07 28172126.43 43596909.34 37797736.04 43185774.04 59665744.9 62394394.05 37327090.65 38612721.34 38723664.8 29544383.46 62875162.12 32509059.69 16617407.73 33975797.02 90851221.2 32693088.29 24005963.8 48331872.42 40974305.72 38804919.6 29627169.39 47929560.4 56505355.03 30006515.55 156026.226 116012.8363 129454.9057 133071.8321 130555.6145 Naphthalen-2-amine1 128513.3046 12191790.95 13271044.16 12887293.31 15623697.28 15459680.23 9202442.791 12741001.13 13678369.44 11097226 15353398.5 14095127.36 17907018.1 26269825.45 14850641.57 19283379.76 8035907.939 15632858.82 7290024.329 17543042.64 19903372.06 17911515.44 19892291.95 17608776.67 20517528.59 14638108.64 15049276.26 14686033.98 9264046.403 14824277.58 24880333.58 16016322.21 18597216.77 20489458.87 20876127.14 23438788.42 15374187.26 16861580.9 13490718 18602373.13 17542375.84 15146551.06 18250310.73 22270175.98 17873986.06 26699139.89 17931687.85 24893203.18 16188413.09 14571983.38 20256231.96 15789126.37 20850419.19 15848705.97 14082561.37 21233631.35 21676441.56 15296296.24 21519247.55 31848097.04 20311680.12 18649593.03 14698572.16 18161418.56 20336842.42 14984081.91 17552657.43 14737924.42 21097153.18 22221751.95 13633167.22 15947626.33 16963586.15 20906149.68 14427650.44 21787862.57 26997267.76 16755203.82 24086808.18 18820080.64 13171690.38 20722771.94 17485830.62 22778024.07 20671121.94 13182360.61 15044488.2 17116232.96 21309628.43 21019693.57 12519989.41 26667072.63 16323424.26 16185034.65 16174956.35 101804.2976 102554.6144 15370798.51 14603948.93 18686952.03 19660025.62 21089458.66 17097880.21 19493448.93 22029006.9 13243267.86 22638080.58 18263362.85 16775160.71 14431664.85 21499621.89 23438581.42 16340299.7 8844502.166 19311129.87 20010053.17 15011856.31 22390940.83 19565802.36 17951300.37 17189161.84 18079490.31 19613814.07 17867438.69 25687000.22 18437649.65 20916424.17 20499288.63 19851423.08 25305223.96 19705019.03 17318057.94 16582194.39 14812658.84 23169957.31 28003130.23 21129596.67 17240981.74 18739054.14 22915025.15 19855314.49 24305986.11 21449027.44 19660822.31 21940351.36 17359979.46 20257733.7 23595145.76 17160965.62 18611312.59 15785750.11 25664809.21 21170981.8 19694029.65 20381430.04 23753762.37 15715949.07 23888719.55 20898089.69 22544949.81 18423472.83 19221287.05 16289400.4 19347130.27 19867983.34 14810219.39 20327087.87 21195830.11 17410159.03 16679110 16842314.62 90074.52357 93976.22249 100942.2628 91046.45 99757.00719 Naphthalen-2-amine2 145778.609 13160055.81 14444250.94 14090710.43 16058704.06 16132918.84 10425484.58 17892665.38 11639851.59 11991534.49 17501367.95 14179026.62 14553715.65 19678409.67 12191037.15 19033706.56 13063923.98 20534455.04 8075079.746 15043290.97 16594071.13 15319347.57 16394490.43 20372838.61 14978049.26 15395756.04 16033933.73 12338984.22 12344609.62 16237398.12 25596700.67 13057938.52 15756171.2 17492642.01 18825196.9 16829983.77 14322203.58 17074546.6 16226938.17 16743134.19 14873510.91 12448576.71 13981196.63 20540718.58 14121906.38 20699177.11 16054520.98 17682489.35 16962609.85 16117800.79 18868151.21 12235838.14 13178244.54 16113616.92 12580573.33 21880546.33 22402214.01 18291845 16499687.72 19431146.01 18568259.81 16269560.01 23552870.62 13596784.62 18838554.55 11452915.31 17961620.98 18596324.16 18972034.97 17411814.39 14464085.48 16601032.93 19123133.08 21054141.08 14233654.61 13885083.08 25048990.2 20782095.44 18947015.23 15245348.78 9858523.668 17816885.36 18159803.98 26944997.75 21488108.28 9972766.087 14110343.73 16189334.62 17723998.09 17473281.9 11847160.64 18990849.68 13583507.49 18205398.1 16376205.16 116126.1571 101018.7416 16108213 15564470.21 20810608.84 16277429.02 16645609.31 18773619.46 18030990.07 19307957.3 15548673.21 16197726.5 14572672.53 15154363.78 20519088.7 25780064.64 21528263.76 15392809.27 11346197.24 15787905.6 21729208.57 18530061.9 17175006.13 20103386.93 16068561.7 16278808.76 19210274.35 22151968.02 14864617.79 22164984.93 17134606.84 15492105.53 18156779.22 19144752.48 19653017.64 17900523.56 22707805.6 21039058.25 19440848.19 20405744 25474549.66 22407037.96 17073464.33 18404113.44 22403843.12 17086740.91 20620913.12 20474605.15 14904756.07 28350877.38 17327809.07 16515466.9 19991665.85 17425575.21 20065091.3 20814226.97 24581288.07 21985290.77 20762965.1 22052413.94 17148602.83 19562088.27 25270813.03 22021112.48 17205109.82 17377510.32 21408832.05 19834012.08 21512220.23 17748063.73 17506543.58 17870960.49 17940327.63 21177460.8 21121391.51 21399216.05 191162.0079 107623.6308 136754.9734 107009.1499 106231.9175 Negamycin 250899.5154 24358904.96 23470416.1 23663923.48 23774336.53 24062962.77 28043912.2 28459734.44 31209962.3 26783323.82 30941955.58 27089832.54 32379708.61 28807796.59 34910297.13 33481518.62 31809943.35 30336925.33 26987497.94 34390024.69 33102020.94 31624949.01 35285272.67 29368909.88 35752474.69 31914553.25 31133540.31 39246137.08 36389754.4 32165715.82 35955805.27 33568479.48 37870052.14 38168637.04 33041552.23 35740355.57 38974304.9 35780616.55 37301837.4 36938100.56 35045850.27 36699434.42 38879243.25 35898916.43 19778021.17 18782830.58 34184451.84 42269332.16 34659012.24 32306988.1 39161804.01 37080969.47 32109901.41 33422335.43 37495217.57 32644049.32 35864552.57 36943107.96 38577847.85 36571591.56 28880712.49 35656921.62 30426188.88 31482262.05 31891304.47 29805460.49 33978332.04 31274945.3 33325970.62 30823896.57 36141962.7 33052464.02 30252903.49 35847892.66 31221418.66 24857801.82 31385824.43 27516175.19 26482899.63 25446096.55 23889449.87 18537639.61 31674063.36 20434571.51 34409814.98 29935639.75 30507428.16 29203117.94 24858007.79 41861953.29 25186086.08 27660167.31 17493947.86 31925039.68 31554260.25 200007.4531 280350.2345 30786385.13 29208359.57 8546207.742 30232539.45 31365908.63 17287898.67 31259111.75 24034861.91 28641934.2 6496119.311 28049676.96 21613536.74 16886053.52 29995855.22 7674805.74 23940057.68 27536496.32 1355215.23 23763026.4 31047817.12 22778397.22 1017635.505 4128686.26 25470224.96 28791314.27 11752506.09 24485263.09 17060882.15 21518315.11 2213797.008 10664924.17 16446408.23 6657419.462 30210989.78 19437678.05 20200047.49 30606800.24 8199256.081 1601185.326 6661944.666 691333.9605 7926038.336 2959860.905 1280012.864 3262969.059 5471031.486 2487638.503 551256.3212 27927180.13 7700098.429 3607798.811 5434040.961 16250390.52 18322152.06 16554933.25 31595570.19 9744930.733 1351062.423 4943696.903 8750095.173 16014164.96 2824162.787 13027518.92 3207088.269 635921.5237 258135.5525 8588767.194 14869344.15 735605.9988 19840771.18 29589770.41 8094794.77 15248784.18 268641.4123 246103.4647 244816.1803 216344.1897 220512.6598 237227.3049 Nicotinamide 165893.7498 8234719.851 10650517.36 11519976.44 17232298.75 11283221.93 12373263.02 18144405.08 9145213.965 9025127.981 10823327.18 13384928.46 16936624.79 14782700.35 12919988.13 19689704.96 10049174.18 19374117.4 6485662.09 14204251.42 13854242.12 18401378.63 13318318.33 8593436.694 18592713.47 10791664.88 11786203.91 11394842.99 8489078.211 7328652.079 22535005.24 11787520.62 9180657.59 15542828.06 17393661.28 21835301.92 22868927.58 13151730.04 9120001.811 27006803.4 13678411.83 15012489.22 14011016.8 19110377.63 8662694.119 12632929.63 15254320.79 11071347.95 12138498.5 11310886.97 11191583.59 15186854.78 8529427.159 15929719.37 7559734.377 22330514.47 17663154.93 7170160.227 11073849.28 16223480.51 16478000.42 15491735.89 13817672.87 8801592.638 10125536.5 16062785.74 18434840.54 13339313.28 21676134.87 14291567.66 11377430.24 11552010.45 13726220.23 37592389.45 19695179.17 12089522.78 16477086.4 17122951.62 35180084.23 26769529.97 9052572.658 12559241.13 14260370.08 32183167.63 18004428.79 6935605.744 14422305.49 11548898.23 12243151.82 16128490.37 32829172.69 17779350.97 8720646.7 13936790.07 15607495.29 142814.2173 135784.3759 12077002.59 11520335.45 22101406.43 22971928.39 27784753.64 15273128.16 18705619.62 25796158.16 25499136.28 11956746 14641309.19 16722210.55 20984929.19 21407609.52 19652261.07 16580666.94 12170444.36 33476686.36 16290734.26 14308511.78 16492156.63 11963372.45 16624525.58 12258792.43 24452048.1 25529758.85 14373267.43 15105827.54 15292309.01 28053887.06 26510898.73 35240871.21 10848527.17 16036461.99 14945462.97 17384335.99 17033560.81 22452101.55 16731460.97 10113787.5 20406876.95 25426737.47 15432452.74 25759933.46 10608668.66 15722228.86 14555193.86 33504842.42 9458540.803 10550543.51 35229812.48 23993778.4 17784052.6 18438463.3 33504652.78 10326768.73 16215878.93 25902014.16 19099131.62 23777816.22 16058120.69 26061369.59 14896684.68 144811528.9 21785574.27 14741142.96 23421917.89 23652240.89 29254158.36 15428649.04 13136630.86 13680908.43 14560341.99 13866663.44 128953.797 119449.773 131869.4924 123873.3311 143624.3698 Nitrosporeunol D 282954.013 4590988.263 2946642.767 3805451.379 4060234.523 2731979.125 4930996.781 6555871 1599690.266 5330503.649 6444322.069 4897711.936 2897974.752 4398343.516 6931831.28 6505050.151 7770674.522 8529606.175 1998451.28 6007069.829 9033394.12 1287969.484 6093928.528 6221911.112 6856177.68 3026636.228 3671086.327 3209494.795 2852607.525 5302877.242 6988658.783 5164582.693 2400940.798 3953388.498 4198601.252 4549653.212 3431908.542 4547022.528 3368919.128 5230486.91 6345928.246 6089756.334 3746742.971 5497350.439 4347226.475 6784700.233 3542690.015 3895856.274 2821538.572 3661355.332 7307217.632 2155280.554 3164903.69 5523122.869 2465361.286 10771006.92 7649061.614 9044180.128 8112779.288 6839772.677 6486479.491 5298314.232 7344861.001 4676470.688 3729546.845 2694862.755 4578383.908 8220523.601 6073473.369 4115879.435 7074274.799 3485930.962 3966315.187 8046282.136 4574668.064 2915876.91 4708701.816 6794331.814 4680811.962 5296492.996 4088961.511 3981585.719 9013992.912 3762720.471 4312514.015 4571052.875 1380888.413 3440136.503 7514788.683 5260436.794 8099999.122 8521569.014 2291829.389 3642139.077 4559004.245 572244.6234 295933.4393 2945351.619 3807152.543 10097485.05 6666614.1 10404320.69 14030734.29 2747971.079 8662792.042 7413700.247 6776475.515 5691383.417 6489224.147 9751512.909 4439658.962 6593420.283 1682861.116 3071276.406 5625717.451 3563276.209 4701108.937 3746255.664 7012846.634 3290871.658 7733845.19 3636611.124 5820664.994 3501013.665 5915410.98 5387168.006 4508115.547 4461587.778 8133011.681 9143539.674 12815046.64 4981098.859 3407516.557 3863943.382 6015958.338 5133123.877 6830755.831 3774360.558 7533226.989 11271964.98 4320673.51 5496691.501 7000045.092 7192407.586 5851374.601 2148811.698 5103961.961 3882174.728 6904495.066 3715534.911 1523165.569 7884213.543 5400988.776 8172352.802 4220173.938 8821569.712 4743963.67 6998819.515 11734601.08 7322131.962 8054258.759 1030968.478 10619743.55 9121255.605 4805546.624 5896902.445 5559897.822 3662667.933 3899632.199 3997572.483 7891624.255 270741.6113 243928.1792 342977.7145 262561.652 269727.2458 Noroxymorphone 91061.8251 122027.9406 95397.32879 255543.5393 144211.8479 118327.0186 106420.4911 351304.5191 78335.77019 116187.6135 97286.76429 82539.34613 87543.23898 127078.9873 86092.95191 87672.59955 141798.8363 201633.7408 75275.94771 620649.1291 80171.67044 351465.2689 106451.422 271089.1118 501149.2116 119258.9742 398187.2443 92614.29239 98720.12665 105285.3177 113560.4546 97238.48538 199098.8865 102930.8553 1183238.921 69841.67867 65925.72332 127355.3161 87281.23161 79395.31364 101710.3335 92217.78048 77927.23171 103295.2472 79565.24123 103120.1934 101602.7646 118729.8877 115749.0364 371594.6961 86543.52964 122370.8974 88376.04109 327610.5198 77025.34586 147245.2883 101370.7924 189571.4427 100925.4097 96208.41605 236898.7138 83752.81555 544637.2869 78818.95108 464907.2945 88578.58287 95104.83152 1000586.499 95222.89406 96283.79386 213405.0431 96847.28407 512611.5796 119501.1612 86615.83632 1766949.219 94365.95369 1033664.119 101058.1255 252252.4881 659440.6537 101629.1571 96312.03494 121731.6694 99363.94687 206062.5759 81944.89804 593860.8013 266223.0779 90748.94392 69753.54249 93011.56103 98567.16151 121719.8342 160956.7794 84095.76785 88537.30967 84786.93521 335290.2657 266735.6841 99047.62487 87765.07972 101798.5296 93407.62457 111055.7727 97625.80365 350651.0349 319369.3497 81779.73161 168556.5226 118601.5147 151240.8636 80209.14757 82116.75267 255068.8961 135335.095 356735.7722 263999.5384 517333.7234 80393.08122 110022.6062 96833.51616 88766.08982 148729.7869 121934.6295 92891.93184 84397.91834 97091.8938 542752.2852 84152.44247 323346.107 130976.713 101432.9948 406544.499 91322.53236 107610.4446 127404.7025 95549.18669 699689.2087 93566.93013 130034.4706 93728.73175 103588.5655 202042.964 128657.4112 82925.82363 105432.4617 120163.4493 115776.4804 111269.4999 450123.3464 106058.9183 101486.9141 99048.3213 241788.0615 80510.86196 82897.77774 106358.9466 103744.311 98105.01039 90459.42907 103364.3463 99654.31906 172429.6353 92507.75778 134088.9935 101283.6691 102913.7428 101607.9211 391970.0477 150163.9475 86687.00119 76483.67967 102104.5475 80791.284 74926.8605 O-Palmitoyl-R-carnitine 146255.5933 19113353.29 38715760.74 36173540.28 36930678.61 31233865.75 27020186.03 54442316.35 28136776.69 28866779.33 20780187.62 35581487.73 36041455.85 28498317.44 49261280.39 26164550.56 28376965.55 39124749.48 38291129.96 39830831.76 29857152.63 29485769.4 36898458.55 40949632.49 41554754.78 49907648.31 47485601.47 54599289.28 30349182.56 31512178.86 38682505.3 34704711.51 36091754.22 36888695.61 36907003.59 22490404.09 35764070.34 43855647.85 49265476.59 33114769.04 47095383.13 40718028.56 39689103.01 35753749.96 30847125.1 54082799.16 40634744.99 34747643.14 56948514.82 50555126.24 37565654.75 34717863.74 42758685.94 39928687.27 54574146.3 63588440.15 58518524.28 66919806.59 43193763.09 40146182.57 56508203.36 45937896.15 57130110.39 72304347.62 42216932.54 114341229.3 50949785.25 48878985.17 58186820.9 68460843.61 65268076.88 78757171.54 82740551.01 61103806.99 60416195.61 36983608.27 77192428.88 48814757.32 49709714.52 74095683.81 63979280.18 48017870.63 39310850.23 47310543.99 38687085.16 65794491.64 59155973.18 47889162.44 54250322.81 48877399.71 87226802.72 52024772.98 51072984.1 86425798.61 70415771.32 208011.6879 111375.5936 74849809.61 66610229.94 48824695.68 48078942.55 99726559.4 48228416.79 56134627.99 27565430.44 57183467.02 61355279.04 42239578.8 59479640.45 67047099.88 44346545.33 58342497.22 60404749.18 74040418.86 58590488.43 102150117.5 81953087.28 65561817.19 66612597.13 67619264.41 64561500.38 58522806.31 47124723.24 62294395.57 43936769.46 66204043.24 61546515.11 76013171.11 67255937.5 49740503.13 60429960.36 60257120.56 95666555.86 83865886.01 59862927.47 59335468.05 61180062.02 82568396.02 77549855.15 49496289.65 54701726.22 81630347.98 75863524.1 64880097.77 42698253.09 46839129.12 57847715.69 100694993.7 80171400.99 102338953.6 98091223.94 95169605.85 71810570.95 80712586.69 48208745.11 40667451.07 74312336.64 70733225.54 43789914.91 97530703.09 106014869.6 78774150.9 71647939.54 68475342.69 45702687.87 90579007.53 77313998.39 52448460.92 143098668.7 132382979 59315333.38 1843094.804 136986.5232 153541.8619 133446.9115 140821.0133 O-Propanoylcarnitine 95099.95389 126766868.1 116828363.3 142462013.1 135224097.1 120254022.9 71861662.37 243518222.3 120088598.6 74989864.11 212424094.1 180915534.3 190987997 285380781.7 93439189.76 207832517.5 198765335.8 270585640.7 107558898.3 108021328.2 192793119.8 156542826.7 177479430.5 175843057.3 124556397.4 124545452.5 162537809.3 102082005.6 140128576 259073217.6 264017952.7 218367891.3 169549707.8 188244476.7 191916505.1 112880519.6 112804079.7 169742768 125665420.2 149240593.2 191158317.4 98436611.37 124144888.8 260294513 191999066.8 266111679.3 140152124.8 87092501.79 133640488.7 157163749.2 145021760.5 97737895.62 133717450.1 220026803.9 86717228.13 268015935.6 344884170.9 336616795.5 171849006 183546090.8 208863001.7 106617335.9 228720251.7 169351046.8 141462468.3 131114160.1 98990768.04 214988837.7 236291308.9 202913919 135786055.6 128431772 168532782.1 148104082.4 110442294.8 107471922.7 160686134.7 172880135.8 300801315.8 91971747.51 158210982.6 120435657.3 117967572.2 485802.6835 124557641.2 96885495.61 75727463.99 131563458.2 86979715.43 104590389.8 31147327.87 154397767.3 57513512.32 131273974.5 150381808.2 107265.2574 93310.59938 113638582 140750546.1 142597524.9 101109521.2 159836200.5 234101385.4 175559101.2 122307089.1 106185347.1 115208737 147255966.5 86012363.17 160096752.5 247441028.9 119266277 99198354.32 86276335.32 87106035.1 158294173 162673584.1 219506354.2 136442724.7 153121405.4 173028417.8 199766513.6 132030879.2 92361888.36 211773308.9 131804851.1 91003200.31 94767149.34 195654893.7 92053022.43 266211141.7 95742318.15 150807952 170304902.3 134199462 165280746.4 243611564.7 85909972.15 157795951.4 108378061.3 147673229.4 232561848.3 169942192 137330264.1 216058608.8 121878794.2 191434772.2 188827677.2 154600159.4 148479627.7 189343070.5 221807572.1 149070105.1 163690369.7 197444748.8 125862931.1 170608973.6 182029435.6 216895805.8 135498959.2 204299028.6 125834026 116265753.9 175616576.6 133642199.9 110156381.3 140955728.5 153452611.5 160826307.9 187246342.8 193558266.9 91360.53568 99411.50854 107609.2843 98843.91502 95890.18587 Omeprazole sulphone 198263.9979 197055.2814 191741.5289 13650821.18 287547.175 375209273.9 430714.6778 331918.6726 298442.9058 340089.0732 676245798.3 286103.8673 479325.3426 1289603.306 333052.9445 340175.0857 380598.5091 637035463.7 202326497.1 336074.4369 414539.2134 193751.8683 395339.2585 345210.3463 346801.6052 211437.8143 15270825.32 300097.4069 290125.7572 294081.9631 338569.2022 343585.2108 361814.4247 334742.4382 307222.4922 350871.75 339955.8527 360367.133 328974.9361 414479.2902 304391242.1 385164.7921 355864.1804 330159.5701 323184.4642 395144.4394 345210.1303 345792.4167 230166.2192 14062946.24 384372.0849 400991.2315 339298.0078 189975.8516 322898.8102 431899.0168 390740.2114 811503545.8 306539.6076 121815455.9 370463.5819 293354.5546 399893007.5 417447.1115 311014.3561 373933.7935 399441.1731 358289.6368 299650.4465 264643007.1 319501.1318 261019.8514 16950079.62 358146.54 203992.705 1793320546 327370.5669 209628.5931 328984.7661 397417.6452 415915.161 350458.068 193017537.5 382221.6411 382452.4427 323489.8511 384980.409 1545886489 420321.7426 477210.1343 462377.9636 542996360.9 322447.0046 258197.4197 16119574 201253.3523 181264.6485 231886.8444 13914590.65 375611.3622 230776.5311 193074.982 376948.7368 322084.3159 325764.097 340419.7847 325418.7996 330296.0787 194095.5274 376753.007 396608.9401 247108.4118 350977.6276 271705747.9 217311.5729 235800.7927 17457633.92 447898.7463 220602.3122 378066.7316 232397.3683 365131.7868 219946.9729 309629.0447 351630.2075 216065.4056 210938.7621 487961.0264 340493.283 218671.4906 332732.8738 266133466 254598.8573 17694183.29 219889.1764 342470.543 215236.637 504231.2977 387788.1438 216110.4377 211302.9804 257089.431 203321.3343 354624.6907 377106.8641 581946.5532 606263.8109 383650.364 492551.4267 235838.5823 20238873.27 378206.3024 368276637.8 319911.5972 795117.5755 216673.5553 234052.7172 230050.6734 213361.6312 430577.0502 341508.5636 361633.2124 392817.3363 355178.1689 364285.4389 326376.3494 231829.9852 336421.256 633667.912 9396239.713 237953.6766 188038.336 193163.4683 182041.3147 191367.9112 195892.7946 Oxazolidine E 134455.3416 864686.3326 1054912.032 1302736.75 1599956.247 633725.5739 484562.5892 2822045.397 4834408.977 6534460.74 1542142.255 850777.1243 1063919.185 791847.0705 776632.459 1376729.445 845172.5997 2428389.492 1106189.718 1126536.576 2748836.551 1489902.033 1557389.976 985061.8321 1368747.718 1505689.324 1385069.131 1036119.13 847661.0847 1118877.327 1222326.272 986674.5744 1242441.736 1061299.65 1223739.7 1128750.225 1305755.391 1110519.237 911470.2469 1162819.872 1572566.133 1142958.136 1276159.554 1450831.556 1304526.321 1122599.056 1415352.797 1400374.063 1284315.744 1187689.045 1621001.934 889239.6593 549015.0154 1295884.517 979499.2404 1196586.261 1560903.539 1270677.883 1726000.009 1838927.112 1014978.988 1166681.545 1137840.78 1144501.65 1295874.577 1150498.192 746289.0999 1267481.405 670061.3478 913783.1407 789031.4763 1397704.347 1439560.215 1073879.263 974634.4669 582008.7474 396415.7792 1187188.782 1265890.426 176084.0298 1144847.445 1107418.376 1269825.65 665330.1702 996335.2456 657204.8312 383454.6861 646902.6252 1672692.611 1105133.63 709639.47 1865641.384 821221.4462 1134523.052 1233288.18 295842.2969 254936.0929 1070208.855 821020.429 1292054.516 1466655.47 1641698.658 1643124.799 843056.2563 1623126.485 1304471.605 1309897.13 1118012.849 1948073.999 1489560 1262695.818 1401316.285 1188132.468 1447475.978 1696168.448 1364559.373 1206822.941 1310981.242 1988096.43 1575700.839 375863.5663 968312.2649 2530486.534 621383.5263 373523.5453 1039438.568 2605306.749 567833.9858 1772805.642 716131.9837 1107338.737 1331503.601 1515418.427 1053686.808 2783323.681 1971227.803 1745847.497 1431549.175 1398304.753 1361336.622 998499.9583 1702866.036 3619361.757 1141056.923 1628510.551 1254631.354 1279629.736 1942338.969 1619300.25 1421953.117 1181220.262 2628172.53 850920.4749 1144845.756 1532958.28 1961972.086 1486729.973 2833060.13 2143748.935 1401773.562 1007834.933 1700472.639 2174337.059 1345209.935 1433966.839 1468086.911 1407680.126 644267.8748 1758182.551 1633193.039 1648945.103 122800.6887 259859.1407 226035.5323 173734.6522 115093.4648 P-Hydroxyphenyl-acetamide 360969.2766 29500938.65 18400743.84 7611626.195 693595.1299 97359211.01 665008.2245 48081999.31 774932.3796 737460.3122 2702567.195 733139.305 780529.4998 760816.7551 738709.8247 727993.7239 773098.1711 1097766.934 747173.6421 795500.7367 863448.414 717354.3469 777255.343 698109.5552 723571.4434 18378412.79 7954182.294 758114.1341 686677.5229 708878.2709 1053806.709 724917.7573 1158000.463 14406001.27 712947.6798 712629.859 625363.16 608948.3142 697982.7477 625685.9249 733900.455 674252.0567 748581.9536 745562.7697 638278.9084 780580.8451 750324.5431 819719.3982 19098306.22 7957621.453 676346.113 823783.4267 673097.5689 571052.3263 643739.8423 819911.1119 750351.0372 930580.8403 598036.5268 738143.27 664474.8749 592057.0136 717702.8303 724766.0709 690291.4614 765458.5724 690853.3273 724371.8442 589675.5301 39865255.75 569036.2403 21142331.91 9811506.135 597007.9047 5437805.382 299011271.8 637136.8825 611905872.3 690379.0823 660973.5991 634195.2933 609697.712 726376.1264 377653300.2 537925.5598 493631.2414 601192.7129 327199891.1 561111.4853 560296.222 727294.9029 138366192.3 549679.5054 24599202.55 10775045.05 342488.1625 356697.0393 19661994.48 8549432.159 753341.2813 12192865.32 573840.6961 634019.6127 626563.0721 597174.0105 664438.656 640893.3375 674123.574 625802.773 609594.8616 657439.0163 15782081.6 574200.232 588400.5687 303408381.1 24557757.27 9687242.96 2010276.606 3683580.96 693686.178 114001636.5 10365143.28 2575152.458 715800.5464 466274.7089 604601.478 489983.1347 676913.2426 1030478.979 593716.4187 490820.8282 599912.6425 29371616.99 11265530.55 405577.611 816189.7435 392871.0273 870338.8516 590236.3942 436934.4548 412906.5572 503314.877 969003.6113 455095.5005 78711535.03 580615.7252 447084.7557 66371932.69 525491.058 30425461.43 12940927.3 540167.1616 718912.1099 435855.2716 546743.537 372838.4824 399593.8017 490609.3438 506051.3402 412543.8717 286019008.4 434815.9883 356433047.2 499714.4576 543235.7194 505949.7267 397962.8425 496739.5049 23737993.68 10873802.18 71195875.29 328106.389 350628.3197 336185.5542 308827.6352 368527.1757 Palmitoleicacid 570448.9767 1373416.596 679612.2535 648843.6459 505475.3423 980193.0783 713035.2982 3447672.763 671143.6589 883636.3925 681718.8286 1303535.885 1484632.148 1113167.542 760310.7457 634021.0046 1125661.582 1332212.877 462890.2977 849759.5538 529609.1431 1524830.566 477768.756 2491500.418 799346.2694 625498.077 730779.6377 1008838.924 354778.8294 1473927.186 489019.6285 317195.2142 380158.8595 1521518.751 789240.9959 1340891.752 919685.0867 655091.2315 2056027.411 602814.7776 696893.2626 409293.3199 549828.4559 1523629.869 495499.2751 1089952.259 1195312.044 506622.5188 928378.321 845303.9934 674180.6773 396566.6487 2005947.986 1346805.128 480379.7313 650258.871 1178020.63 745028.8798 485129.5405 1494462.359 1027183.538 1409025.267 2185294.19 1671081.994 1198427.367 833263.0332 332411.4752 1274962.719 609491.1357 987858.5651 977210.6658 1053076.213 666487.8843 895178.9442 91642.1378 864690.928 322821.8803 675475.93 427929.8883 443311.0632 2100835.758 631691.9243 1238693.235 1132953.017 1046290.416 753134.2009 339678.5003 1548403.738 1095320.66 461849.047 1430991.245 611420.8626 264561.1425 839620.8834 986418.3309 939180.2317 229642.8307 739755.9251 675607.1847 1213001.583 632120.2254 1883932.907 490852.3792 230184.6551 1042903.19 611648.9771 821019.6494 405614.2207 3757648.87 1866023.077 620428.4846 1447984.707 316794.5604 1505806.282 862036.2709 845515.3947 1161513.434 949961.9715 1888515.4 843624.0597 731746.2925 624606.8125 2456360.106 836384.133 2195814.184 1078737.156 4889744.649 1241094.909 828911.4136 939457.2311 792305.6938 967476.1063 755590.6707 932864.8291 215904.6481 2204114.346 458565.1184 865098.3543 856240.7159 1263905.714 265858.0632 720674.367 1674628.996 1547843.593 803145.7576 1250628.206 1456465.082 1197286.873 1647626.992 727036.0987 977731.1186 1912941.422 1724359.437 224101.465 806353.1377 1146109.862 878704.3821 607681.1376 573312.2806 596802.0554 896344.2729 976662.7563 1527153.743 1624668.253 777369.6081 2286980.92 928559.9389 597350.6954 815217.048 812296.6745 1657476.014 247955.2003 173870.376 167970.8309 171684.4928 211905.7252 Pantetheine 79451.3708 15735431.13 11251353.43 17698746.66 7515502.29 18662812.96 25327277.77 29874508.29 16002951.86 18476347.41 21053412.61 1168536.91 8622912.127 24860334.39 15594752.66 25122914.7 26079210.86 12822988.07 26345656.12 26112089.4 10602486.79 20019419.77 22102301.83 14143899.22 26983858.33 13142835.11 21532762.36 1430006.027 18774495.81 28049741.49 18487466.91 27218950.63 26479118.53 1721184.945 24913364.85 1458986.539 26884543.35 15025427.07 10897087.9 24093434.31 25286412.36 28394115.16 13320006.57 24278313.65 24667332.19 11463121.98 233122.3966 23268867.83 12846282.83 17728032.36 14680365.04 18204908.34 14195996.96 25868887.36 13045846.22 17208617.49 7666790.195 25981391.1 21854322.28 1201526.497 5573576.53 4763138.312 16845993.88 2505752.178 5945708.91 8989561.431 1379929.023 3081845.607 12525164.89 11778190.57 15313213.35 10252487.14 17058618.57 23612234.51 19700370.69 14082410.9 1359660.707 12734521 1708989.009 89040.13892 23398047.24 14610443.27 15522153.25 2698343.564 1307777.934 14189002.95 9555906.845 5892878.459 10956998.7 3212350.396 13075837.89 23681215.51 5099013.418 10386742.12 15163765.36 103339.3068 87482.33206 9586515.858 13955460.21 24423844 87829.82003 83225.49381 18710640.83 18582607.28 20900007.72 21734738.64 14325177.76 23220112.51 2963357.363 22649699.19 14367538.15 5816009.113 20953409.02 22347884.96 19297398.28 11050809.52 14604031.04 10694087.93 20591501.83 14208293.2 19617578.15 2501731.567 13008706.4 18692975 14701773.83 13436866.37 10981241.73 9015588.055 14970120.88 11098253.06 13462932.51 4639395.97 7927525.871 12456851.56 1966137.563 2169437.716 15418644.57 16854336.1 14447653.23 15317390.82 9706021.585 9128995.008 18965153.38 14629883.4 14724626.89 16811531.38 13799192.97 1018478.935 12483818.33 8191248.649 12819471.2 4634961.513 2806292.505 14000082.1 18807797.39 11997183.12 16418817.05 11284482.2 5662612.728 756173.4869 16162529.91 9828438.608 9197972.135 5501127.518 8109683.861 12787747.85 11162475.91 17612122.66 8981373.36 14249448.53 10491657.74 92249.29474 96227.97844 92534.99206 96271.76214 90947.16145 Pantothenicacid(VitaminB5) 54964.48835 5438429.424 3903974.026 5664941.982 7954695.855 4767850.674 6931650.627 7702239.249 16535002.5 13773400.2 43122485.02 4163672.139 4294971.535 3484746.604 10731891.63 6588020.665 17830142.58 9419853.002 16881872.62 2660771.59 7775066.184 8071300.036 5061221.28 8563272.782 14740589.48 3616447.993 5207085.735 3033537.76 1272405.249 12024186.88 7326414.086 23161431.53 51538446.47 3855803.577 5151930.61 5436703.132 1683649.76 8936518.515 4386867.458 2922871.18 4681730.97 8205012.651 8626977.972 7675274.8 3790417.828 5396669.61 21823430.13 15440407.72 2984134.412 4520674.995 3127504.518 4210055.584 6375429.623 14485158.8 35713276.13 20114116.11 14655764.08 31885758.54 11866990.91 3329219.812 6118321.076 6119933.846 4877377.789 2695512.359 4589417.113 1346242.765 4294805.779 6567792.894 8082231.176 9737893.148 2997592.146 3341100.076 5097775.952 5252941.813 21870078.93 2212720.969 4423677.633 9111065.936 3333575.476 12370231.08 2874442.216 7520583.413 4360687.426 5806858.004 4590309.449 10816193.49 13281374.28 2514922.855 2702606.557 8335188.352 5928949.224 3922129.562 14510228.52 3176849.004 4180678.74 82826.75245 58916.77962 3630321.153 4626299.295 6510819.397 3537040.657 5935477.415 6311910.332 5171340.093 3726326.832 1686735.786 7378892.689 15669612.39 8071238.55 3810184.211 3038845.475 7139593.727 3239704.873 10660554.18 8879849.087 4085144.854 4798770.62 4453914.236 51974952.09 5824878.28 5892375.035 2757605.06 5841821.906 10705151.9 3616327.318 9859778.598 9098360.026 2199576.013 5408643.614 15789679 3376279.284 2972376.095 3895147.056 5137424.537 7048445.958 3693691.748 4091099.991 3104855.222 2545055.772 4852739.559 2933770.695 2329875.051 19186673.69 13697997.4 7279689.032 9876526.828 5223347.434 59495281.98 11680338.58 3664025.377 5811084.94 6413517.385 8007970.575 2412883.687 16134820.27 3553418.611 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30323167.53 26404236.55 38095725.92 46704679.4 44615193.59 71730003.66 49085669.14 41625303.74 62400089.99 41885209.5 33176027.39 50811424.23 29984164.1 43416728.14 37150431.46 35717486.39 54347619.11 44344085.67 34278869.14 35580115.55 24953244.01 24895581.75 26716065.6 25787377.94 20104483.31 26137904.97 39711398.96 27934073.95 30410872.76 42793733.75 7929525.069 35073670.96 27148490.35 47075748.56 17925421.83 25392029.52 21596014.22 18852971.95 13869270.34 25023204.68 14390640.58 16926390.36 20567488.57 13518344.43 8748375.078 23655560.04 8134422.583 10533786.12 15179944.8 13391733.06 2651773.729 13788731.78 10734034.62 15191272.37 21252652.05 8099510.817 73279833.02 47824352.51 2332442.159 394313.8084 460362.5421 439861.1064 389262.4832 456612.3954 PE(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 710947.1157 76001949.67 81845296.21 85842529.15 55459078.4 176763556.3 270448579.4 101263132.4 221827735.6 177807444 333406210.8 137372818.5 193373766.6 374485415.5 198890017.1 113369446.8 166145468.9 239736261.8 249336782.7 108675649 454438697.4 59443051.09 171520923.3 201019320.5 98126744.32 206410419.2 131561776.8 185564346.8 102663847.5 80372364.2 226263410.8 192602314.6 111478305.7 263979061 275690648.5 197353216.5 164474794 83343562.37 219459780.9 144274153.8 163061414.2 61853661.4 122558154.4 224108321.6 195625966.9 501540768.7 121783732.5 164383537 88529921.49 242907195.2 147501954.5 106230517.2 87800548.16 72234230.7 143059822.9 78098791.13 248162625.2 127551042.1 136129949.4 279013620.2 193185173.5 192472244.4 116054313 358853119.5 102805311.9 178687706.6 130852642 370265634.3 123227362 118014724.3 83702731.27 164326271 160197213.2 117858718.9 93581925.54 198399581.6 127779400.7 104826909.2 199597391.1 111911797.1 316506107.9 197043205.4 192406588.9 232535330.2 81924665.39 102969161.8 95063991.72 161568860.1 76833618.62 130150871.6 55485116.62 119614334.5 90324172.73 112721232.8 87039376.19 771333.6655 752376.2699 132930001.6 85428794.12 117757066.8 123666069.2 148824154.8 84226347.76 99863123.15 96967656.48 140745678.7 81398121.27 159898959.5 106197743.9 240419229 88218783.63 138753065.2 137162667.6 131752650 107127181.6 86484031.66 107491820.6 78108907.62 91855320.38 153896084 76878305.81 113195899.2 169132558.4 179012775.9 82942501.69 108393270.6 63999001.25 94653836.07 81161349.09 143090458.3 114789453.6 527834451.4 59403404.16 72274544.04 52218228.1 47344766.6 41192744.6 73830702.88 63428843.05 50177653.24 95251513.25 142978681.2 58830237.3 51309444.23 109151441.4 105308179.8 33657633.64 76638822.53 40658042.67 40130762.93 49549254 65687384.5 33341922.32 49975965.57 55810113.21 33508376.67 32496053.77 35742979.62 10645854.02 62868064.74 31146032.06 27019234.75 13861447.44 17489196.94 25129658.56 22916911.93 50032549.49 16002348.55 93186875.4 258226296.7 7094203.793 890438.5346 678094.3445 663644.7312 656807.3373 743327.3162 Pestalotiopamide E 96629.9692 2701394.329 1814964.661 1467635.097 2713095.417 3511392.644 1830049.949 3066000.024 1683960.235 2344679.446 3117362.114 2706676.844 3171137.548 4236298.616 2263076.137 3637157.779 6097474.732 3767543.228 2356394.295 4313973.864 2939185.036 1977590.68 2698632.682 4069265.78 2733149.018 1621442.083 1707056.688 2617758.696 2022389.007 4091971.574 6500797.535 3312502.227 3854074.337 3850656.443 5011767.943 3044743.417 3443440.603 3530816.266 2769675.414 3924141.98 3432861.783 1795574.162 3024084.879 4145240.206 2260142.251 5400601.799 2778781.256 2995612.357 1846844.794 1643291.765 2744322.782 3810996.935 5396802.765 3021898.231 3160577.855 5546101.205 8233310.15 6493789.28 2508433.997 4490186.392 3689931.719 3674022.75 3707258.797 2313547.242 2186659.993 3011949.079 3618971.373 5438199.37 3611137.06 5209247.793 3398962.93 2194397.273 2271394.467 2312171.683 2820411.602 2467326.799 4711012.456 3263494.898 3437718.533 3325513.749 2075799.775 2365192.145 3546312.184 3670363.356 4560807.748 2205619.543 2696776.222 3741703.66 2684226.306 3083425.072 4537678.156 4062256.988 2601036.86 2160458.952 2186488.079 109188.7283 108610.2165 1877058.684 1734166.209 4526052.614 2382756.918 5776424.715 4939184.217 3672487.423 3459335.062 2929485.137 2925575.468 2781729.64 3492984.882 3898219.559 3377044.487 4330152.803 2115904.711 3084554.194 5163858.85 2458310.508 1869173.261 7361907.317 2990539.513 3589433.147 4031294.849 4433668.523 3429974.625 2448178.739 8070673.774 2752662.749 3095705.224 3412478.791 4188033.078 3884186.797 3297669.794 4038163.924 2599678.724 2340622.529 4323471.574 5867383.022 5095201.831 5264647.065 3317554.278 4421590.234 3551485.74 4895262.605 6365112.216 5044907.865 5898442.838 2750469.552 6210688.587 7036770.096 4344656.135 2365084.593 2803613.458 7278021.481 5983489.613 4807831.925 4544644.821 3918606.854 2997820.106 7749446.544 5725407.608 3422985.118 3589809.021 4178914.875 3280036.119 4851333.641 3920013.075 2470455.619 2060241.55 5271506.345 2804585.585 2580017.511 6951967.321 105613.9633 91303.59209 105466.1364 98926.98349 111582.0658 PGF2alpha dimethyl amide 102878.5294 125935.8946 258173.7042 274200.7865 428911.6038 107561.7338 144078.6016 660242.137 158033.0837 144228.2284 125360.3702 329055.3927 487436.3987 748937.9712 606944.6016 184114.1095 117481.9761 538059.5694 304847.2564 892140.58 522059.9734 504595.1452 520155.0261 373668.8309 920580.2063 369445.3056 286636.331 665119.3133 300761.2511 710849.2352 173861.2063 213255.2718 515912.5923 251786.0749 193160.5777 303308.5627 806130.1829 366898.0447 193142.5646 222973.7743 437711.3815 765155.358 595422.6773 346802.074 338521.69 1226476.818 474837.0789 499601.6146 330535.3978 297171.6722 661591.7782 327233.3369 101873.3198 658625.4828 196874.593 1369020.487 1048393.137 407042.3983 1097693.251 565534.8461 661652.0482 480204.0231 879830.8991 157501.3256 641911.0284 753638.7591 158199.6714 366746.5145 688762.5189 131466.9416 1451729.797 635303.1248 718087.1272 1511236.644 659540.6118 387233.203 1073004.616 650989.1275 205624.9072 939160.138 320538.7431 677022.225 581664.9302 135067.8984 433278.4149 542606.0365 731217.9587 489630.4961 417024.5866 779555.8431 668752.6044 866261.7522 180760.8944 564116.0166 711335.7572 116778.991 96045.99997 610340.3563 661833.6399 1025919.597 470569.5881 1475110.418 1397436.354 679403.657 289697.9961 379639.4928 843900.7384 977283.4068 644185.1374 1269616.051 444634.6607 1810745.885 389133.0827 560729.8462 647736.0894 975514.3905 810898.3363 678204.3708 1068728.588 648447.8528 1530453.537 399497.8758 642097.0116 856023.2042 495250.2419 1204673.241 730545.6032 978680.7482 612535.0471 507830.3412 643260.3527 1056824.467 747332.1566 539879.9704 1924532.121 1257779.378 1580072.517 196675.6203 1827116.047 1001977.761 674293.3106 1984646.406 774175.4923 890088.2385 287426.6429 159364.5354 387154.1235 128715.9772 518803.6577 948733.2997 647208.387 533868.5016 346267.411 894716.5971 359474.3059 283899.1326 614566.0871 3400696.227 1690629.138 1304183.293 1026907.759 1873030.189 1683731.231 1251905.952 228651.3657 437374.9485 1124740.858 223675.3516 708610.2161 1312430.262 535173.8978 101036.4381 84620.16658 108944.1337 88651.00097 99055.75864 Phenacetin1 206386.8952 814716.1933 280978.8731 237052.3915 2047991.35 1704121.756 2636626.086 54862642.71 2372287.49 240526.1635 1767518.465 2691351.208 206254.3314 3600658.165 3237025.247 7418585.092 227365.3296 1661489.633 2538756.443 13234297.89 240671.4648 1772498.119 210681.6989 229635.6224 947272.0057 308002.66 323015.5649 523567.0622 15827692.31 2649697.773 304679.7438 230462.3742 609432.0818 322035.7642 9647607.359 227112.4901 5421198.638 3142734.608 3418416.317 2269402.72 445228.284 23274797.31 6059754.804 1098689.768 1876393.201 462456.5785 253742.7406 2781806.996 363260.8006 281336.4806 1325482.613 17502118.15 1334574.849 1822925.566 1738138.462 1771911.823 1646991.808 3554375.416 1938645.926 282837.0633 462172.1678 449521.3909 2393435.412 848028.8611 305903.7236 6618359.524 722081.3417 423231.5045 771632.1951 733776.6497 11241062.44 255084.4362 418222.9365 2236298.097 205786.7768 265932.4612 220068.1359 243639.6831 214873.9179 1918136.558 1147593.677 501035.9852 208455.4306 255139.1975 3299614.047 7777986.459 203787.408 250751.6366 3995490.609 2040365.078 22436518.26 2009193.98 1212534.574 257259.9012 373529.8364 257283.4712 261863.026 341824.9611 301874.4213 4671142.022 215043.6554 657310.1916 276421.8823 232495.5433 257731.0668 17748408.55 598034.5545 1948515.825 199989.3077 2937034.854 204508.1848 230961.7159 7197855.596 15024883.37 1246746.305 405787.8254 331215.2479 1008832.72 208857.2973 393502.2473 216229.412 1004979.404 808886.1068 1486739.838 1706319.878 289750.0372 225477.4927 364743.7396 1197025.852 225353.9371 696237.7658 243721.9408 397486.748 371538.8637 171540.5513 228956.7553 320137.4888 1606271.906 1966491.356 264583.6782 1310393.223 262341.0816 204515.7835 2907387.753 2084657.172 332161.7992 3815627.49 227927.6957 453511.0066 321309.831 386208.505 393655.5462 528602.4017 2944562.244 1665982.674 195445.0134 1603110.379 224427.4352 234574.9113 277264.946 8817518.505 886778.9578 932466.634 230103.7293 286179.7125 681888.7495 460994.9958 3697921.586 484007.6286 450795.5266 757101.6452 219535.5924 221532.039 251932.7704 253536.5395 226905.623 Phenacetin2 152570.5159 1746932.638 1470142.008 1562017.007 1609982.391 1612451.296 1978661.708 2747815.771 1565134.339 869053.2425 2975637.598 1246843.259 1995376.974 1439689.494 1430749.524 2135794.224 2001483.687 2786711.511 2000033.854 2416701.652 1614612.329 1505547.983 2569460.757 3245843.613 2038580.882 1543634.188 1760034.137 1648955.61 1705037.564 2526994.246 2601630.85 2054279.228 2676082.252 1516940.713 3160895.931 1676766.934 1717747.412 2864699.145 1588876.171 1746308.683 3066280.899 1957877.33 1955645.593 2295219.024 1574443.924 2545899.825 2009395.315 1428776.888 1763844.652 1720291.656 2899101.643 1753255.705 1571224.533 2104166.326 2646312.308 4078942.664 4323903.345 2026129.007 2333916.204 1943326.228 2180315.953 3002179.445 2068963.303 758372.1015 1461594.261 1588684.07 3409289.535 2349818.147 1820676.952 2415868.163 2870582.665 1463734.413 1886032.347 2309209.315 2145814.297 1656935.322 1819850.667 3106203.85 1996697.99 1735674.1 846225.9873 1332590.74 2796265.663 1895007.161 1767780.222 1775621.457 1700132.211 2038625.236 2829720.68 1137252.278 1965563.374 2221367.126 2542357.956 1675390.31 1584994.226 248690.339 112555.3116 1349933.873 1453786.988 1746361.318 2194084.04 920087.8839 1872666.562 1139341.352 1374170.108 1974579.393 1598593.207 1484655.59 1353766.33 2262941.981 1685490.02 1040588.503 1074798.179 1455179.334 1805040.237 2012529.543 1785378.333 2315429.423 1111844.102 2362751.527 2605976.011 1470661.443 3115924.397 1404051.732 4256090.564 2482032.162 1332374.245 2138327.453 1946130.445 1309157.143 1797016.188 1481708.929 1826911.558 1849170.945 1844867.784 2366317.725 2929486.291 2791876.138 3036091.015 1716350.58 1376380.857 2866338.956 1980774.963 3752719.652 4557662.763 2397056.153 3019081.09 2907684.242 2588563.957 2647957.748 2213660.607 2935945.733 2604144.111 2151928.56 4530253.452 1730210.585 2067426.979 1952903.688 3323727.216 2791753.717 2460184.8 1250378.332 3336825.909 2686424.478 2464284.09 2490534.826 1564194.281 2601891.082 2913726.749 3015531.028 3028822.234 188837.7483 133173.7504 176865.0936 121859.5569 144287.0595 Phenylalanine 1219218.236 705815886.3 770242355.2 762854980.8 864922109.3 852201789.5 544085155.4 956905534.6 620067494.3 633483623 914908005.4 780775125.5 796793194.5 1079763853 652971404 1036400193 804767799 1123176775 447892609.2 809700416.9 896825893.3 838318039.5 894717524.3 1110167401 825726446.3 822782008.6 868633376.8 685660608.5 688548935.1 891735366.9 1401572425 780361928.2 904847462.4 944206058.2 1041487707 934057440.8 791189864.6 918800475.3 893646598.9 911019372.9 800079537.9 690076059 742025856.1 1085848982 777394076.5 1116645714 877611755.2 980677535.5 913426855.5 861913192.7 1038359024 675772573.6 766634374.9 855623319.1 699555324.8 1176582704 1221366422 996052962.2 899470687.6 1082590115 1027075238 908523097.1 1316077987 764623080.5 1026526815 645650451.4 1000713153 1036783816 1057977467 973431174.5 818677528.3 940640775.9 1023117921 1171785933 826997714.4 783900394.6 1368328008 1133058164 1050187181 873284275.8 543974772.5 1012172884 1039243050 1547075601 1174825038 552699683.3 819205073.1 924638252.2 1014170728 979087518.7 699039814.9 1055581936 767221452.4 1011017088 969720592.2 21508635.71 447262.458 901947699.3 901272061 1167717496 924090279.2 937972629.4 1050118271 1014048013 1083775124 905407833 922934400.2 838091267.2 868382843.1 1169479330 1467359693 1226132908 864076983.9 666732101.2 1007059787 1236398195 1055881753 1040812477 1122827117 933129510.7 956836947.1 1119398479 1283365785 858813655.6 1271360630 977635323.3 924430196.9 1021042787 1085297095 1129810507 1051627691 1284329879 1171380448 1116071351 1158537500 1432130317 1305432312 983403711.9 1087889329 1308135166 988217967.8 1195617277 1215037033 913703537 1633231332 990493547.4 977300226.2 1186241425 1024792669 1202412779 1233953802 1433409874 1297697031 1210904558 1282033012 1032301618 1163004784 1456339125 1300011585 988856268 1025357827 1295966182 1180090493 1249770482 1056314079 1039289389 1096356576 1064630125 1270029888 1258271829 1285976572 102256.6144 111267.7834 204065.4753 240958.2498 321663.2961 PI(18:0/20:4(5Z,8Z,11Z,14Z)) 75856.12496 8249788.984 12055027.85 12366097.39 6811490.173 7972176.312 8353268.798 8012450.073 10913455.54 6833920.921 10225869.17 10080025.35 8781741.149 8046381.321 8619173.583 6755806.174 11195648.05 6694551.108 12257658.35 9994289.223 10996396.01 8290203.21 7991950.497 8900068.072 8113460.86 13243291.37 14116247.48 9421536.446 8600092.038 11798998.25 9569126.256 8269018.67 11629736.64 7474750.217 7608946.804 7069941.78 7734440.417 7312728.894 10591593.12 6498223.143 9349813.247 9109519.153 9354560.108 9887065.204 6789302.975 7296594.767 7505473.399 10683736.75 12848326.93 13820299.24 9397606.704 7478452.239 7458450.523 6886431.524 8080808.05 7156073.974 9842258.24 13984968.09 8081372.996 5875096.088 6357121.901 7442987.488 7217802.332 11976071.85 6781136.553 12446275.83 8379724.03 6133951.645 5727193.708 8382243.989 8113384.126 12042843.82 8146387.446 4819754.472 8179940.609 6237955.521 9287573.968 5919351.462 7490639.801 6082503.643 7639976.969 7353644.521 5720208.656 3769104.19 3328645.36 5241968.293 4047019.011 4907788.867 6959860.122 7058818.404 2565069.639 3633555.645 3517024.153 5498471.742 4268511.574 96745.92184 90663.5887 9660048.912 11619595.47 5987083.695 8192935.644 10619296.42 6772534.275 10269687.62 5304793.434 8891315.553 7002053.845 5287641.521 9210693.779 8798255.147 8011407.168 3019898.337 7630122.303 10661059.51 3252024.812 10618741.32 9444518.086 10078237.07 2954248.999 8075671.14 4633386.867 7422726.928 3836875.068 9349336.411 2847038.409 7371351.581 3164814.919 5777719.851 2975215.445 4278825.976 3817874.226 7638230.276 3339229.066 3944516.087 1223949.828 1676148.453 1421083.183 5499174.862 2254012.472 996460.5202 1973831.997 2807279.976 1112221.968 1649023.279 1574626.375 5493983.81 1634931.61 1260484.71 2009369.464 2412199.71 2799591.533 1172985.627 2192781.352 1247840.296 1252186.679 998322.9964 709712.7513 1087172.511 511649.8456 892899.4585 1028884.643 395986.181 375307.0255 518196.3931 760273.8865 976462.3127 1314758.389 983673.6781 16986442.38 17225616.82 271627.2225 98317.96185 90521.48802 97238.05351 92255.26947 110248.2675 Piptamine 3481525.266 47766382.38 3103510.586 3406780.608 3650087.335 3238437.319 8837152.231 1967994.096 3953585.108 5121609.136 10109482.3 1942872.157 11437587.73 16351592.45 4442839.57 6258749.061 3381732.266 2505021.997 2268468.54 3722382.482 2392147.312 7330241.078 3758810.814 3000499.032 2610204.25 84374477.62 3271879.996 14575470.71 1667277.358 2538660.471 4273380.779 2202151.02 5668014.74 12748295.63 6456378.632 2439441.047 5111682.016 2441022.948 1839962.748 3217138.49 65714707.19 3243366.048 1905531.328 2854764.115 2696237.931 11101082.94 2691794.728 2478276.509 8179502.722 3683707.772 7686085.031 2673916.402 2382364.203 3110758.333 2794172.718 2629657.589 2869018.463 2551701.973 26372685.53 2012855.845 28264316.41 5124677.49 3519833.439 6207272.101 3079918.597 2515806.642 9400009.723 63739210.21 30972927.25 2704141.423 3830480.403 4105788.21 7380274.809 7719235.171 2750130.056 3915564.779 2018874.38 2306984.647 4545461.2 5088208.1 4427337.558 3383815.736 3121040.968 2883759.936 2579287.943 2798902.828 3213669.633 5287577.445 15969991.77 2931178.432 2697546.201 2068183.375 4753912.85 18548827.31 5505004.942 7582658.329 3328827.786 25539783.42 5375603.653 2765695.844 2961606.283 3524184.403 4368396.262 2703855.348 7773264.011 2766845.852 3054908.016 3089342.431 3963827.799 52727377.51 4340931.669 5091644.166 2584431.474 2695620.304 5588841.301 3674051.409 3030555.782 4497812.33 2680356.805 2482078.045 6378935.069 3046095.374 3533690.359 8756414.322 51617273.37 12120858.12 3136002.043 5849433.769 3008797.352 3236823.138 2438863.056 13082457.17 4758387.942 17339785.51 8030177.973 3806767.415 3727055.884 3784694.792 3895778.26 3425624.037 3594646.816 3589425.272 2897184.05 3215516.352 12329349.93 11816435.89 6054438.19 2975964.235 3667546.292 5451594.206 6189530.009 3825090.918 3302600.579 3147114.113 5024297.52 5470289.197 3641913.568 5133086.215 3479724.077 15544724.28 3828388.82 3252253.027 4412916.413 3535290.213 3141684.481 2793637.724 12328285.4 4067044.425 395068.9782 6078117.995 3025668.104 4708768.56 2978929.399 3075415.939 3137983.206 6407029.007 Piracetam 756967.5243 4229599.847 4796192.273 5201086.283 2912553.216 1462775.696 4351768.055 4460395.969 1014524.743 1982979.867 6279908.504 6215576.127 1385894.352 21055291.58 2612335.848 31747858.48 13801981.01 1268813.332 12733838.16 1881952.687 5456805.519 10353350.32 14574306.7 11214484.85 5841896.462 5818650.493 6923054.656 17878606.94 3233137.157 32460319.24 9966188.641 2328608.353 9793443.992 19341203.07 11928637.62 2333691.972 7075325.128 2842412.309 8948926.626 7535997.571 1399255.266 7530644.882 2518259.701 8236538.1 3957403.189 3573361.347 835110.0968 2439038.435 5443612.268 3328253.061 4008547.065 4838564.482 1031787.496 1597837.938 2533924.837 13742751.77 27450423 3677040.163 2466563.572 11702108.72 1746391.26 32103606.47 7978271.403 1715178.189 11006347.8 5913736.948 1201303.778 4723909.544 1009390.757 29572211.37 2426428.307 5188479.998 5876959.985 32463057.57 4697566.311 6243574.455 11800817.71 1677906.257 2059046.323 6517076.578 458550.2578 2468550.827 6821742.805 4957686.117 5312207.664 5711040.183 3043468.815 1188197.511 834634.7895 4718521.846 2383646.166 1805860.703 1982301.402 5203762.64 6066025.436 1550506.43 863562.9389 4208978.214 5182891.778 2041901.231 469040.3689 1225453.496 15586465.48 17384792.85 21950322.84 2061778.058 3369413.934 2710032.109 1659055.549 2049179.897 4034428.603 1150628.605 11938904.43 17445224.97 4576040.061 4990163.45 5738527.317 658878.8371 1218753.856 10202056.08 15229262.22 3741275.413 5105844.065 3279580.39 9236837.744 12105755.19 2091202.207 3699003.481 2646041.251 5437973.104 1260896.144 463911.0374 6181917.8 5513539.326 3867558.587 4543574.52 1612877.072 2079371.093 12173365.12 879491.6073 896560.9454 2793304.5 3635110.193 1818160.521 3122914.36 782756.4627 5713617.098 24238378.17 14977237.1 5387325.444 6438684.003 3116198.981 2485518.337 1977754.318 6119219.707 3774087.932 19112631.51 76416684.29 4879842.118 3752826.073 7021622.186 3788334.925 5626855.064 14594694.03 4087188.844 2003275.52 5899565.545 3101978.301 6183441.918 6823297.637 4757112.71 727624.1796 811584.355 852803.6364 704875.1225 1194744.697 Pirbuterol 191229.1899 25546309.28 20584684.45 20054472.86 35533753.54 29551266.04 34583311.72 55458305.87 29187643.61 31193217.67 51642903.03 26741420.53 31600868.16 57676530.87 43001005.88 27845634.27 48464973.96 63677491.27 30781322.5 45735298.29 34314187.2 33172564.28 47049028.1 44864747.53 46683564.16 26891411.75 30327454.89 43992969.84 42395693.53 41569068.35 46219387.78 45376428.64 47450454.65 53719775.82 39711280.45 38338060 36552838.1 51768867.29 43678025.29 37303441.69 43638459.34 45704174.25 46998177.01 50593969.06 37282505.32 58000409.52 37533786.85 36438714.57 27328886.77 29560362.71 33077931.28 39175882.64 24041070.96 54573709.99 48115775.44 62849940.95 63305562.8 85123211.55 32365011.06 39438857.06 45489225.47 30941097.6 47242272.94 29829216.09 29721410.16 41891844.46 32815850.93 55905102.79 33454605.88 42595598.16 55630684.62 28302390.05 33299397.21 34327974.02 45832493.16 37410005.73 53426656.56 32784975.66 33201368.08 42152440.66 27255271.23 34355901.32 33725401.05 124763266.3 33352687.62 34759559.68 32140108.9 34110006.63 36610048.27 42935123.99 42890739.96 43120245.86 39527283.12 29204179.14 30989955.6 186393.0181 166975.565 24562482.01 29344109.02 44117779.95 27077856.99 46542368.01 50477280.05 30481713.58 40120277.47 36446879.1 41567901.93 35283372.48 37897059.6 42938831.94 33556091.41 47310246.32 36145746.23 40439992.46 51869884.13 31928331.64 31833697.46 27552370.83 40999011.28 36221304.97 41205205.31 36710387.53 49305319.19 35589830.59 39422645.3 43078068.36 39619970.7 41027431.01 46703891.84 44420228.41 35995165.34 46481644.65 30397191.54 33763678.18 43806698.5 54729148.66 52637771.52 46542982.74 40548570.83 41388008.73 41230257.06 54740336.62 55354502.86 38827434.34 46722656.71 32030236.37 57938781.19 42592789.78 34061479.99 29127446.33 34506865.14 50801265.29 26166057.45 42242329.73 47798894.21 47753869.97 36930790.81 56118151.48 44804376.5 36955032.76 42516725.53 47935730.88 38155782.39 38793044.24 40236817.24 36827080.88 31488044.21 34554566.29 32140382 35700370.44 38627939.19 207681.5146 173364.0473 176243.7162 183714.4322 210307.533 Pregabalin 432906.188 128745934.8 78531051.64 94543516.08 145393230.3 149540820.5 184709549.9 339948152 264225741.1 122327778.4 433190407.2 139220115.2 201459429.5 121676845.4 196318258.7 160429751.1 439714555.4 552026517.9 167233758.3 237632409.7 167620699.7 244705740 202327225.2 237575618.2 246237961.2 121317594.4 139785138.8 135754855.8 176285852.3 276326887.9 204300527.5 398670072 280451685.9 288612094.1 197470373.6 95623017.62 246123408.3 272535472 174231202.5 282771528.6 470093218.8 193199970.6 213608655.1 199941706.7 237210090.4 183633130.1 164511709.7 232377963.2 123716984.6 144705947.3 168468512.3 238779267.2 169867446 269902762.2 218427921.7 686442919.1 464689470.4 228555450.8 200746370.9 261205765.3 189729837.4 214289025.7 119829915.1 265559407.7 216450143.2 222383424.3 218620987.3 552185458.8 179474210.8 299169857.5 294069406.2 141672234.7 170670612.8 163938249.2 251703254.4 174628354.8 185540070.8 259282311 251450217.6 260802542.7 248490148.9 223029834 250095030.6 212058463.5 184266367 238858739.8 141879319.6 146197160 216997070 184357646.6 210744599.1 416631488.7 234941356.4 141623323.9 159776240 392743.2151 516598.6404 119622520.1 146387492.3 296310969.1 144634975.3 180269538.2 120156770.1 176154705.2 226093053 283528308.6 229990230.9 421851730.2 205573766.1 167111354 214042896.4 246195751.5 201069255.9 258241132 127400730.9 149145270.2 155486611.8 377777320.8 145672539.9 406583281.5 341268835.7 182694183.6 172284849.9 202599945.7 363453587.1 216075844.9 255583691.3 177149964.5 460402628.8 162336520.3 206578563.9 167577568.3 150652716.8 169435197.1 299148480.2 244673760.8 136359674.6 200316562.8 298461994.6 303680247.4 180386705.4 150784172.2 198666223.7 312201820.1 370804875.5 233807421.2 164740427.6 263392346.5 185373317.9 141840119.3 174397144.1 241169936.7 272331858 167732752.1 416848043.2 148491678.2 264453771.5 159454225.4 339440284.4 201053970.4 202288161 278370197.8 324777424.3 196336148.8 173605346.5 208972658.7 189212177.7 218332768.9 159067735.1 185163685.9 224254741 247217.385 285310.0648 87878.07663 290288.1937 100551.6153 Proline1 35624712.21 2781928068 2939729815 2907954027 2055048679 3555545784 2467993148 3378334226 2114348870 2692432630 3028693455 2058568761 3710577833 3013686648 2967586871 3486623418 4606058198 3637125863 2385112760 4124432579 9721613438 2232017904 2558992025 2925268834 2531887856 3021720620 3175058724 4871194358 3358920495 2666642062 7308320887 3091913235 3335892907 3589334758 4451613496 3064974680 3396028462 3806633056 2982761510 3102856686 2835875010 2515519579 2801944346 2470797989 2700272004 5950757667 2786944054 5923556162 3238882896 3267821969 2733595889 5541200314 3771607582 2852197385 2536499699 3396676578 3028115648 5569085466 3234817565 4282816399 2580257125 3741069236 4148800830 2205052998 2548718260 3374820151 2464265937 4289003438 2713044614 2742348604 3749935117 3458416522 3634291968 3930985250 2446372754 4413604930 3587970592 3027072763 2427145941 2492359223 2249169797 2697858733 3635668588 3764233013 5928793635 3223141888 2904623654 4853937425 3484355853 4024415617 5004918849 3035641201 2583680055 3299742540 3576947279 28969923.81 22384172.02 3220998461 3316249077 5113443946 3981945608 4387052247 3442492672 2649817025 2679154041 2592189793 3269148208 2276794931 2042270607 3489352411 3165802139 3851118225 2994939661 3237064629 3984328281 3339289774 3530369623 3610832524 2153202338 5146112058 4608362769 2660203074 2280645622 2156302622 5842673439 3037505631 3374085336 3719441353 3167878869 2796856594 2905057172 2373768663 3248877845 3261179857 4921679825 7437353872 5631592649 4478423868 4265153297 3977145858 3908836325 4592366614 7207665261 5058336948 5004081387 3645231485 5476129598 3540937788 3715561989 3343990562 3448739416 3382185122 3115534942 3190109688 3364867213 3228103731 3909788232 5394220521 6844475859 4694566288 5120491459 3298222497 756298240.1 6149689276 3707351263 2763578315 4601202675 3092780046 4625683176 3994883367 1266013355 126760484.9 106690921 23963172.49 152558793.6 151478467.3 Proline2 9180570.062 79233104.52 115282118.7 118390880.3 82484381.59 106992974.6 106640371.7 186141287 101030555.6 103280981.2 120070531.8 92766946.51 86442998.03 110318774.9 126545202.6 169568327.6 197090284.7 163544469.1 98012294.35 155569575.8 166893012 112818946.8 134860668.5 120523095.3 138691386 122565892.5 126315091.2 90496583.35 124174932.2 125888634.5 242836720.9 169100701 142745313.3 131990881.7 198293505.7 112104188.9 139723724.5 89424607.49 106412754.2 137016523.3 159870558.1 74258170.43 98710105.97 88376821.78 87460166.3 114676336.7 104064453.4 99214141.94 124967790.7 121933415 130038296.8 189637745.1 91349185.46 182543439.2 97882676.92 195095177.3 185061327.5 84580973.29 122351854.2 136774658.4 160529876.1 116223302.1 187227620.1 90177173.62 106813472 162872876.1 125761247.7 128324791.5 122336150.5 159968724.6 114426087.2 154101869.9 158382802.8 118307433.1 111381382.7 170495111.1 119951463.4 108035273.8 78937938.15 123969829.1 110272371 132056666.7 111151816.9 166478223.1 160135152.8 89291042.74 77601224.78 148192458.2 139579460.2 105985959.4 132665926.7 171801168.4 97300061.19 161416051.2 147271968 18270425.37 9439695.219 133754615.1 132822140.9 133693057.4 126631245.1 119138281.2 165250928.6 118204568.7 78574776.78 185800025.1 156842614.4 114392770.6 85477133.92 99268607.4 125575292.6 111932571.1 125117755.7 123979993.9 144928212.3 152828886 137413282 136294260.7 105619331.2 118457901.3 140152689.2 114755176.9 89479883.85 83366666.99 188268016.4 96989644.52 91588625.03 91623134.81 170726531 116249766.2 122394490.4 85656972.7 168187595.6 163245038.9 117522555.3 191950275.7 129895706.9 205815419.8 114653047.3 90882209.29 49818731.11 122235455.3 192300786.5 179607321.9 164716686.3 126662701.1 157468857.9 134312565.5 117962310.7 178646999.5 173156528.8 229652089.3 110441764.9 152600473.1 158295973.6 92301179.19 134752845 129774593.8 179431454.7 129595558.2 148346304.7 168530282.6 179887568.7 131913729.7 149470760.5 143250063.4 77775766.66 101222737.1 191845589.8 184087598.1 178310239.7 13955648.01 10078727.34 9581625.069 8842860.299 9090892.081 Propamocarb 136966.7183 8134450.658 9119510.835 10575918.55 9324559.984 6804079.976 6572705.104 14811595.01 5767970.772 12039680.01 20635410.05 5554437.645 6902390.574 11775188.66 6497857.363 19221878.08 15104232.36 9668359.452 4671021.982 8239126.513 12707368.83 7015191.389 6157310.438 10830407.43 6846329.663 6786163.06 8917280.127 5854209.988 6562120.827 13966158.52 9695076.291 8101612.214 5941246.782 8450351.929 10426795.2 5533052.625 7920049.356 5945762.217 5345436.749 8176414.222 7933441.794 4933738.811 5398437.243 9638432.47 6060919.708 8012693.324 5176247.516 5991237.891 6041040.679 8428872.584 5828477.031 7443544.052 2639676.197 7804007.937 5248628.033 10525521.87 14127581.18 6855009.854 4956326.367 9768052.38 9561858.243 7801005.318 9449109.52 4589615.645 6262410.123 5234150.42 5085909.618 9881174.226 9025612.679 6282975.853 5554372.392 8217626.305 11096498.36 6512811.269 4425486.491 4338752.182 5377577.455 5706701.442 5145330.812 5166582.758 4510235.233 5223295.972 4120039.432 5353314.464 6222379.732 3163870.89 2948741.432 5811275.732 3520049.304 3328047.252 3195915.547 4018037.504 3593594.437 8925062.222 10175399.79 110595.3401 96392.86673 8037424.893 8057990.726 5574357.475 3470736.408 6991423.577 8275609.83 4243163.721 5236956.97 11736439.88 4565239.928 5159689.609 3416983.22 6549895.606 5566424.684 5044305.903 5750519.003 3856692.186 13298248.34 7504535.959 8628674.204 4453726.385 4468718.574 5430230.859 5536233.359 4040966.274 7840292.57 2541248.205 4361474.572 3729735.79 6634844.824 3666324.651 4602358.336 4685025.986 3716764.136 4224838.003 9067762.13 9862030.026 6793445.448 5605204.598 7163904.942 4949817.638 7998386.862 7218303.111 6705817.6 6756644.131 5885666.069 4979009.87 6557687.166 3607783.893 4273393.168 8222680.941 4301693.934 9943101.448 12754859.37 8477869.814 4163324.267 4185162.81 5262560.56 6520472.325 7606536.644 16498484.57 7301019.03 5223621.972 5101621.704 25212143.62 13716627.08 13862795.35 4291057.811 3429975.39 3655770.151 5064714.865 11523552.57 13629120.26 7711340.862 91156.17624 83896.37228 83921.08644 86752.35668 89443.75564 Prumycin 188454.394 6858303.353 1849715.974 6227941.018 7686985.395 14039429.1 1298681.64 32716016.72 400547.0331 9390909.067 9091012.653 3617710.981 4831948.83 14798930.28 2009280.162 4624307.975 18817781.4 39124956.15 7010215.681 7609593.708 2095455.016 3358952.717 2215269.096 17798779.44 1045959.36 3693405.778 5490304.426 728131.3149 2751536.266 18793835.57 14737163.76 10280705.25 7412580.426 1871028.179 7713685.604 13125815.42 2314520.504 7017233.461 2790252.873 1984819.6 2893099.053 3840180.23 1987369.058 4190635.131 3994734.502 14984522.27 2643084.86 3440213.881 2111268.976 4180088.412 5724930.443 1312060.524 1929067.92 5337355.353 2122837.716 9028763.227 4044420.098 24428784.68 2182393.49 4874226.608 8489756.809 2474647.521 10859308.67 4779770.703 6470350.909 1404984.912 1941339.849 4214307.491 2873709.176 2464001.793 1314807.875 2141995.839 3497264.093 1796324.509 796096.2033 4105273.427 6381694.135 3008893.319 4650876.086 4636183.814 2162711.15 1553287.476 6115228.623 6432603.677 1950176.368 945255.286 412551.5463 4247897.657 907812.5763 8010413.726 483390.5867 2440859.634 1161745.03 1693648.687 2445182.562 204726.948 203642.2486 1709530.24 2294915.68 7293474.096 584355.4263 1573513.674 4909439.992 1213572.116 2612638.561 313801.8962 1201625.605 3077717.069 1324900.112 3314697.885 2334186.761 805428.7161 838890.2297 333665.0439 529227.6501 4119748.502 2072860.666 615940.5594 695525.4256 1940018.64 3373049.908 1621923.256 384596.711 384714.6761 3854675.61 486107.4431 1891714.38 377700.0832 1582613.664 1223716.022 2958491.789 2129393.006 1245624.012 1634018.227 744755.6343 434878.9097 2247341.873 751628.1175 368524.7994 1621548.361 358089.7608 403861.7781 559500.349 1047171.874 4749719.493 995983.5128 645136.4748 490944.5287 1837760.718 1124795.857 1803158.708 559697.9717 5608823.229 895324.4035 2367374.415 3912618.683 2837466.312 2675245.597 2012866.05 403197.2504 828595.9153 403925.2394 631288.7198 770403.4563 3588892.177 466664.1783 306814.2184 4988601.341 5595846.283 1416988.444 2117815.988 198024.3265 199835.6567 197747.1536 188708.0837 209214.414 Pseudouridine1 203785.4447 11840171.53 10110183.03 11924012.63 15341176.63 12647505.62 3190579.415 21337161.92 11577296.34 13719620.35 17421607.28 11367812.54 12624119.96 16837334.67 18213500.87 13242050.38 27111887.75 25503108.8 15181034.93 19032045.21 11222887.56 12190735.2 14460541.08 21276248.76 16246514.88 10611787.64 12337284.48 14649687.77 16712805.15 20069930.14 15857137.94 22924973.11 17726974.81 21921495.11 17469448.73 12433500.5 15190430.83 23572334.46 16984881.29 14934256.47 15118128.39 21438303.75 14849406.74 21887726.31 17247029.97 20185467.83 11928308.73 15416144.9 11131869.73 12460929.7 14168252.46 16436433.11 9231283.595 23168825.02 18755877.55 29131816.14 29821106.62 26222617.1 15144449.52 15930682.34 19844925.02 15191161.49 24790965.34 13290743.18 13299594.67 16356013.81 13596946.61 21645791.63 10607183.36 15886048.52 27264258.21 10421739.13 13157031.67 13207402.52 16065070.87 12449360.23 17186193.11 16068736.39 14675875.36 19137677.97 12734719.76 13425807.41 15508536.91 14616038.69 14034698.77 10452966.77 11069849.09 11765565.53 15595949.59 16051519.62 14492212.39 16353170.49 19593588.31 10602495.86 11251847.52 231319.9728 190251.3279 9617170.764 11205609.6 15128757.27 9315969.511 14615140.16 15518762.4 13696385.84 16670944.71 14898916.39 16714227.47 11608133.09 13919595.63 17316160.75 12319576.64 15680510.05 14595645.33 14707572.71 15583886.4 12300175.98 12536218.22 9330223.712 13756791.6 16316060.91 17984667.07 14336229.25 14411139.73 11577303.41 14230036.02 13138153.02 19344117.11 11353111.19 15793414.47 15865335.98 12895251.96 11151596.49 10811033.61 12200720.15 14642019.64 19211588.85 15499870.27 18951995.21 15307590.86 13256543.76 9921701.857 11436529.1 17540347.08 13431063.51 14614175.43 12301955.63 22480149.37 14346347.89 15251824.46 10668741.81 12905366.26 16419889.8 9815858.017 14552544.24 14842314.86 16426257.43 15093034.05 13974685.94 15281249.42 10217309.9 13717956.43 12804701.67 14763638.03 13315869.27 15501921.93 16157787.86 11528473.08 8911932.056 9340086.287 11411521.45 12684683.7 215865.6776 175833.9851 215800.4092 175603.0512 196213.1648 Pseudouridine2 184900.5416 4056864.29 4447163.041 4551739.46 6679270.443 6256328.659 4063430.771 1306935.101 5218318.55 5827529.042 4387241.441 6122670.465 9498480.702 6646971.789 6226353.826 7977951.33 5722294.256 5980317.589 5608543.901 3906912.311 7650795.753 5737104.733 8039374.369 7479363.575 5864346.62 5390655.499 4844880.821 5050524.883 4033979.681 7437039.756 7787049.696 4856523.769 6664001.822 7586003.206 7195253.584 7107465.6 5003399.429 5183143.59 5594727.918 8232865.563 6095627.896 4641574.324 6441434.647 8310394.731 5290000.139 6523241.922 7030880.262 5166483.986 5573986.571 4932331.238 6351962.393 6327632.94 7816528.476 8011419.526 4546590.762 10854477.09 11621612.34 7453847.616 4812102.535 4043955.041 10430912.21 7559516.174 6087850.49 7088652.428 9843859.378 7767313.217 7310444.681 5111387.754 7702998.388 7618614.158 4284285.497 6076194.63 6161910.867 7453921.948 6354155.369 7182952.498 10214145.75 8372916.671 8827105.554 7383408.212 5079962.331 10717440.13 7562436.039 9648394.481 6395814.667 4666209.252 6778631.914 6392176.161 6084584.927 5713107.745 6415703.266 5132736.357 6618987.358 6737423.299 5966891.636 198934.015 214043.2892 5673852.211 5507580.721 10431870.01 7895721.075 8672198.861 8450323.619 6636582.396 7781102.736 6838799.796 9334264.968 7262453.41 9195662.993 6965881.257 10034104.96 10603570.86 7245537.722 5990154.263 13673366.87 8397277.717 6387928.021 6440583.765 7848866.01 9078852.014 8528748.803 8057854.952 6355368.061 5858273.094 6452684.444 6061067.366 5635799.96 6388635.134 11751120.98 18135799.84 8130430.638 4933373.835 8479238.14 7559488.701 13477814.02 13893788.85 12006732.43 10043225.74 8534774.373 9396170.255 12587281.47 8195136.634 8965724.468 6959086.099 6710030.965 7604180.009 16923294.28 12521663.76 11710396.86 8762944.071 7753955.988 15694799.55 11920827.38 7999456.775 8154418.064 7199340.699 13562911.2 8791377.515 27449064.21 10686459.94 28503269.19 12867553.71 11624964.27 9946725.511 8525745.043 9325620.74 9034462.127 8133802.441 7379988.017 7604753.768 8695033.817 220530.5406 198902.862 207131.2564 206900.4363 201339.1309 Pulcherriminic acid 352396.7214 691318.2723 662276.9847 813075.4274 2470744.938 5759019.69 5561791.394 3642604.184 4071145.423 4628878.86 319718.0253 899344.0223 2156781.45 502619.7173 7865240.032 1879955.036 3836494.822 2616429.229 2754605.837 11049634.86 816761.5316 255429.0931 2322296.633 5577661.238 4106281.928 453950.0414 664780.1237 3525182.861 5937430.829 6055500.947 954291.093 3593655.092 1411194.781 513785.2801 2174803.529 121244.6268 1809762.394 10421612.54 11875455.93 1281827.774 2152265.086 6158950.126 2564322.891 1663682.688 419768.8287 798747.5211 3629641.9 1234822.326 536143.5494 477068.2006 1676301.532 6487890.083 1845622.544 1775039.093 8901645.027 2107833.718 2381675.231 9085323.967 536373.3051 142558.8863 2416286.23 3901241.287 5419872.494 6084348.892 840689.1595 1381428.017 778004.3576 9867284.914 637978.0532 2274962.331 9593033.132 652690.036 750532.1186 557247.4402 28206178.55 493243.7838 1678481.789 2319645.261 1250227.176 5206482.773 1945586.698 1462412.965 552045.6185 305833.7759 622064.6176 5621633.023 7310741.967 444252.5218 5170272.221 505793.7566 24689517.92 305057.8562 1229879.999 829901.5169 828762.06 115578.3915 387089.6216 408303.8387 566329.0326 598655.0843 480895.3095 6823809.269 798116.782 659370.7517 969631.9759 1951464.324 1707327.791 205791.8959 3672047.064 1668083.704 387781.3317 856202.0498 780763.4864 6195262.603 829686.8567 863876.8424 760842.0527 3406276.809 8979897.006 2152386.893 2247540.331 588224.3882 2109460.418 1033313.843 3925952.699 2404602.98 865910.4317 1189078.923 1052494.379 2493825.481 606849.1263 1221141.442 512166.097 576286.637 510019.1132 1719724.933 539304.0883 10741836.38 1431431.43 1423743.995 615645.8441 274451.2385 7413308.683 8765362.118 177151.4678 510297.9533 2516657.238 3435719.604 9036159.901 548429.0712 328733.1842 374414.4687 3818395.024 3287997.06 965065.5113 420993.1729 339895.8666 1236376.455 400300.9064 357613.2245 1497062.659 5724406.06 856546.9838 526032.2603 338492.003 4850580.239 2903297.249 628219.4572 593724.7007 659079.1614 603104.4715 426134.9964 368571.0085 345963.884 298626.2746 257223.0222 Pyridoxamine;2-Methyl-4-aminomethyl-5-hydroxymethyl-3-Pyridinol 158393.5543 4011864.127 1581799.476 1598775.341 13546661.63 9201341.288 3234424.689 11956309.06 1878735.474 1017622.108 4340242.137 2083651.55 993797.145 1897635.375 1062971.497 17584528.2 3837263.199 10785340.51 2304551.19 1581763.336 1621678.848 4765326.067 11741780.14 12036411.86 13716713.46 1382204.443 1857065.212 1128156.182 1302573.879 4925041.999 4429359.193 2937792.654 1401634.886 1677308.516 2167376.8 1667062.067 1515415.609 11283867.53 909289.9454 2160563.383 1358288.11 16056249.73 1251016.954 20238108.11 1264306.425 525551.3945 10211255.95 3015262.283 1637402.546 1421950.055 1933775.746 16717024.29 1898575.415 2260486.204 3592420.62 4159121.793 4930510.886 2033981.976 11029450.21 6476815.113 1864639.001 2352847.574 2615311.811 1530384.873 6535674.594 1730489.409 3796534.912 5737376.072 2841242.905 14129158.11 1746100.495 1432524.927 1742191.412 13157096.93 4615944.579 758029.3519 1663148.197 5657946.693 1468349.775 15780239.02 640743.4027 1257469.119 4045707.609 409053.4498 2672259.706 2302442.263 6802686.804 784731.6146 1991899.075 363780.6607 1330492.556 1367214.549 4198921.765 1660757.188 1619828.601 159390.3797 158173.6277 1149283.443 1321922.298 11991981.66 1138670.173 1372187.707 3035925.39 734036.9659 12557166.33 2472313.818 2154785.797 4701352.557 3255094.592 698943.7467 3881122.996 11100883.47 1346635.661 1322434.031 6406652.356 1830825.123 1780922.116 2844926.639 12454912.9 14500553.44 2325758.634 513186.2763 1660118.2 451488.2266 2433052.374 2221872.185 8462366.452 485819.8448 5507127.567 16482931.8 808001.1642 8211555.383 1693817.318 1633114.385 9276918.633 4183068.812 11473864.6 9842333.854 1733065.06 21774678.35 656128.9656 372270.8588 4528504.251 1728267.08 5027645.154 2501012.909 4854315.141 12978634.27 2203518.366 1659829.39 1791619.075 1636638.284 548805.0144 1099285.86 4895188.386 4029371.643 2235879.386 5129345.946 1985022.015 532960.7369 258516.3158 3395205.857 2636803.305 2794425.301 10684995.65 2520053.769 1127077.141 1168932.999 1302705.072 1156506.734 5138891.211 151412.4171 152190.7697 153798.7735 174889.2312 165997.8808 Pyrrolam B 116339.5789 1187395.567 696154.5102 928332.7274 735928.3021 189002.7373 696122.0574 1793792.743 950644.6643 1729293.21 1075827.213 556501.0943 7074419.164 1525532.089 128294.8847 1254701.204 1957494.123 1392637.107 390459.7848 1119841.753 3282792.082 7501983.034 1336560.16 1670399.242 1451330.877 1401484.134 1088737.19 1173436.523 1215251.493 1255879.31 736469.5072 2027167.454 1223677.27 1097412.487 1471803.174 381563.6509 2281711.938 907879.0613 1652879.263 1668591.507 3074415.508 782374.0769 540337.7756 1102353.62 838787.2111 846569.5363 405530.0264 773975.736 1321811.21 1102218.167 3219429.518 1741176.241 428471.3331 1254744.817 655419.1756 2271479.913 2115572.721 1219620.241 1313693.08 877940.4291 831927.1188 1348120.884 745906.0617 402127.6799 1205402.214 469057.0623 399767.1703 2070966.618 208510.6679 891776.3125 737135.8087 1305404.321 1242078.531 627016.0625 4238035.349 422600.0917 440487.2633 4622991.901 2363740.053 767129.9713 313438.5184 1013877.121 796521.4901 769674.5242 580366.4601 442454.4109 484910.618 467742.906 1199323.124 3069090.263 145631.3534 1408668.319 222510.3869 1380636.713 1142850.904 104326.5566 97080.90664 1000143.988 1051847.159 1186219.412 366511.9562 404666.3392 1207501.214 1348097.186 1011482.932 1782248.003 1183029.943 908295.1678 284167.3502 1071599.152 787650.1125 367789.3077 366758.6023 487434.0917 1500545.643 1394698.812 1324530.679 2992513.719 473623.2735 1880051.381 566198.597 1320374.77 6441699.182 963146.7346 1967788.26 731938.5303 707744.1724 904141.165 1622966.105 349936.2736 414810.5466 609701.5476 1459380.385 1191871.194 506244.9294 1142306.818 956996.6446 339450.6042 1714486.061 364120.754 447152.8946 761600.5622 148016.7811 621087.7828 1489504.456 1694402.404 1110867.084 1835921.877 1912022.228 1055079.754 1190826.17 2556257.89 167354.7827 2718210.518 359961.26 1234518.093 691400.3937 5399701.117 1941116.799 206186.2318 829637.7758 955174.5813 2247922.919 823506.8561 1034447.721 1656034.873 5467051.097 567460.5832 1347084.005 1557688.927 1891706.167 123311.8623 114857.1707 116018.9629 115453.638 123227.9902 Qinimycin B 85125.22827 6174523.659 6391114.69 7344074.175 1893305.918 1951949.9 10481718.67 9063124.564 2932227.594 18029972.54 3771652.451 6397411.508 7485687.841 17357731.14 739318.1534 22061993.55 9550694.676 51106098.67 7161640.105 358005.4 8557486.728 28398729.94 1573578.886 4563572.654 785124.9733 6498319.636 7561122.721 3862037.14 1469606.444 19695033.61 43924802.02 8570344.894 6571695.663 1292497.662 1996121.212 6667847.848 2078877.653 479187.2443 1464110.655 14882590.06 25196055.15 926779.1356 4413130.979 1370468.144 1128555.418 13345921.5 3977071.217 4100885.056 6151024.04 7134269.192 7576230.607 7909623.866 7484536.211 30784359.48 1203180.125 11277488.31 9032442.646 14154968.1 434559.307 15793940.21 7623182.628 27482400.49 25775117.88 798668.5392 22901108.21 3164601.795 3446291.195 18033203.43 2036135.699 1401394.856 1357547.506 5885758.419 8411396.299 758909.0834 8146942.526 12735054.24 2134869.505 2646629.871 14951001.31 798055.9129 165019.1048 4994175.171 10243963.46 474719.4863 6359419.706 824206.5915 1356462.562 17401234.52 2364014.484 3751886.937 1486227.327 7800635.444 416029.4152 6540951.449 7134880.276 115668.2704 117012.7672 6703136.019 6690934.321 742635.3713 4305588.312 8335553.768 14764666.25 358829.8291 5804795.828 9944813.435 1951919.474 4238019.46 1041381.842 7571942.686 7432978.485 38571830.04 1893280.413 164018.8988 6722573.238 8019790.498 7909379.261 4366121.226 1644952.143 1061414.99 2749427.862 4274614.911 4153079.295 1977664.795 15592351.81 15662150.04 13196981.32 11472889.99 4352579.397 4108294.551 7866072.351 8228815.7 7355521.119 8149409.397 3132538.894 11549159.97 11537494.01 1004985.166 1863640.085 17153723.15 6465122.93 5923209.095 6177587.341 10192682.65 15838186.07 421531.43 6815851.952 2603783.627 4395173.234 6994661.244 8855013.518 6492885.013 7622863.442 1457398.267 2814953.797 1998719.786 8697144.049 7674417.687 10490195.92 4346785.957 4502522.618 10720718.8 11615819.1 2187581.889 16948669.79 2481299.789 1490326.121 5538679.325 8677994.118 11756816.14 7869779.92 126940.5107 122283.0848 119727.0505 116562.6762 111337.6371 Ranitidine 160895.4712 994895.0977 179561.9266 179959.9714 182460.8964 153321.2295 190993.8624 186272.0657 175986.5885 4850376.557 162270.4179 152210.0453 141423.8523 161580.2232 157750.2185 185317.2964 236127.659 147778.0389 128464.9017 155358.9553 175714.6894 155361.4492 160006.8487 163535.9807 167257.8843 143693.7109 145719.4498 165728.6196 144521.5387 155226.3849 168909.5517 80784164.02 39862157.92 1716956.835 138001.9881 204921.3317 168152.8763 153481.897 155246.4502 177819.2396 135146.1603 150486.5232 156936.2472 200903.1385 159508.0856 173189.1887 142249.292 153378.9076 140568.4764 182637.4894 141231.4325 176191.0638 141035.351 141417.9649 147878.5023 17532786.13 163263.7577 180844.3899 188399.7592 147931.2914 150489.3131 154352.399 145052.5604 160987.4179 135680.1884 185598.9138 211136.0981 161069.022 161962.5536 146022.3552 154519.8554 150534.1383 168665.3852 141236.8724 3187165.971 163818.6704 168325.034 691872126.9 169461.2861 129178.056 145930.639 149591.2324 162103.6502 220458.8698 149161.6137 182574.8379 67562256.77 166975.6741 166251.6981 184130.3366 185623.2562 137903.7437 157829.7272 137957.2439 144174.1052 168419.2963 147557.6126 141124.4776 140561.5886 141225.6295 146242.5367 147629.5133 168579.2774 166228.8907 143221.0776 159871.2951 150112.0201 180510.1428 164537.9892 160371.2348 199698.4132 149713.27 173935.6347 163460.6916 159145.3564 140059.8846 162279.6454 538714990.4 153524.5728 131734.2738 152113.7029 196230.9193 166481.9601 135592.5832 158358.0458 227740.8066 161509.1516 193159.5288 152529.3371 143043.6814 127594.2958 157889.3968 132262.4314 134535.4311 157809.4531 154382.9159 172533.225 9604883.54 176743.175 197084.451 170266.2365 181849.2323 140817.6075 203658.8779 167211.0004 139870.8758 161040.743 147499.1821 165774.1724 180080.663 166198.6376 153123.3273 152349.2443 166715.918 144328.7145 145933.5276 141758.432 157614.262 158642.4718 172002.5195 141906.7407 163212.2779 159602.5435 168125.3928 1768616.219 72123823.56 146566.7302 237053.3543 145211.7861 178250.184 1827798.197 187654.9611 156646.6982 159248.6831 165999.0042 190027.7547 Sanguinolentaquinone 78166.94232 93082771.72 51446423.57 82412433.97 49552431.17 98495745.75 143851637.8 455601505 142542094.6 63416218.92 106292071.2 31598017.19 46224915.69 102649503.5 103415681.4 147776307.6 292178154.3 373542181.3 141308714.3 154208991.5 58014562.23 107639221.1 107147885.6 44909010.48 203269949.7 52968664.78 78950364.41 23657787.78 348289775.8 79561439.53 72704092.76 97001632.03 130652350.6 64809743.03 178107090.7 6414677.12 92201746.72 129342984.9 51198538.33 64207451.49 87154572.02 152500562.9 122166467.9 107193340.6 122463424.6 67430684.85 7199660.723 103863380.8 54005718.14 84950560.09 54202693.61 102754620.4 69348966.31 315877487.4 98292925.57 411216510.7 229585893.3 164732159.7 241752113.8 16527115.9 137340014.2 34408354.46 97699275.56 44196504.58 31798792.75 82768363.02 23128034.02 90353663.48 70939148.43 109967804.7 253996320.8 44506757.36 100325666 169508459.1 108609824.9 98305057.55 30415999.74 40195183.08 54564861.46 45446777.3 124980424.4 76722452.32 37453426.96 32579305.6 50228625.07 118109004.5 57390792 87212328.46 96421920.84 42553818.33 73561823.09 140618432.4 27702494.35 48894566.63 80461022.78 106206.0596 95154.35851 56959514.61 75410737.28 213959341.4 6376251.635 7557307.29 156714598.4 259742235.3 110762385.5 132680217.3 141477431.9 213729210 23370926.69 181459020.2 63073298.44 92165087.31 136700702.5 265100295.7 110591073.5 61379202.72 87059045.62 161764342.6 200000526.4 152177765.6 83524648.62 35093114.99 139306163 137969320 101619816.1 44271177.44 53616517.43 38727728.23 103256271.7 95844497.85 72496465.17 46248597.38 54253212.81 89630436.28 11697584.33 40209427.1 75202649.82 94373657.14 120328634 90173556.48 58675437.93 56614218.93 177549146.5 206059921.2 77038488.59 131480122.2 196897912.2 46702683.1 58536575.05 53538166.46 99463212.87 16698599.56 32693425.23 157659979.8 232049479 92501508.91 109530860 76683401.9 32897095.52 64723109.64 135796655.4 67253285.68 48015074.27 47007562.65 24710405.33 76131100.69 57115315.39 165491333.7 73456225.81 125579628.2 99953283.58 111522.5452 102872.1557 108704.6161 101154.5592 105907.1864 Serinolamides D 139522.0184 5689958.496 9063180.254 8427919.514 9751790.522 9641377.215 7457946.287 25481764.85 8597135.704 7611796.075 4614909.136 11315637.25 7692523.158 6378627.654 16880663.74 7678692.671 9748235.625 15105232.47 10993620.61 18581297.02 8179768.327 7517772.001 15188348.68 18731193.06 15982529.55 11821588.66 11690457.02 20357760.98 13205087.01 12604559.91 7856629.833 11035690.24 9676558.123 7693153.715 16522646.04 6717976.005 9188422.142 19157474.68 24820622.16 9561500.521 13104167.63 11806149.3 16393123.05 13763087.08 6321794.285 9868373.662 14095118.54 10146433.33 13165186.42 12099677.74 11921372.55 11530666.18 10593257.4 17174672.37 18597612.72 21476651.75 21303635.74 16769648.04 10871461.58 7916932.988 16369269.37 28959147.24 29938301.61 17474937.47 10467944.2 32796036.98 18654900.73 15316246.08 21213385.61 21552246.7 30041911.38 18595597.67 20188597.4 16403430.37 30564850.8 9831375.92 22390947.24 14737782.91 10216652.7 19639812.86 13960709.73 13636717.75 10105921.11 7745228.922 9444373.235 19587632.22 20917661.53 14478225.77 19778726.95 10706487 35756264.78 12063475.65 15949569.63 20022973.89 17272790.35 130227.2638 117119.648 17779250.73 16775936.29 12710713.45 15416531.8 34648738.32 11730859.31 9805454.907 6066190.447 26984038.69 18116319.7 16917572.97 25577820.83 23083337.52 11115141.27 16351112.8 12531463.39 22764172.48 11808847.5 24986201.47 19426043.23 15868393.03 24196794.73 28355176.6 19832094.19 13046252.04 25372467.75 25218648.34 10372420.62 27121137.39 26823901.63 37974582.96 17798666.37 19984986.19 17624114.06 22059330.76 23730654.38 20735415.19 16919627.6 12384777.07 14568944.48 22029554.17 22720519.79 15155531.21 16743499.29 20786569.11 28370396.66 17642002.06 12207761.59 9742526.33 11315280.67 38237497.27 29629661.86 24991121.48 24657560.5 22973414.75 18133940.51 27902164.52 19964086.18 9052930.972 11751275.48 17566161.75 8734522.471 42364355.85 29578924.43 24084682.86 34497867.24 21110368.2 12126680.63 25551928.04 29429042.41 14223101.88 34149160.12 32743081.43 19773668.69 114566.4564 115182.4903 147748.0823 107953.2265 134337.6452 Serratamic acid 104774.4813 1464571.162 1185902.104 1482822.862 2461691.599 4021441.306 5087908.184 5325863.346 3310811.322 4033232.468 1408897.353 2967960.933 3377778.639 2752159.618 6563746.629 2372135.546 2495563.13 4236839.094 4327155.269 5925671.758 2032028.888 2455901.442 3849880.752 4559788.491 3794353.663 1568043.435 1931488.546 4486925.715 6009095.156 10128012.07 2751733.917 2964710.208 4161296.839 4456399.281 2841685.838 1139939.108 3939774.605 7280632.049 19711648.25 3445068.779 5321541.624 7213776.554 4894594.646 4852799.051 1833126.708 4116109.021 5150978.747 1870228.635 1667875.534 2033794.638 2470433.825 4455417.605 5956200.868 2753094.61 5082637.935 5029514.27 7304435.249 20085603.92 1768507.968 826677.9994 5382275.153 5240390.849 5397286.902 7049542.072 1752451.383 5164388.558 2507785.888 9458065.177 2175626.258 4553169.422 9676774.48 1595472.635 2141243.077 1860407.987 7852418.655 1633533.672 4248861.023 4534005.488 2164473.133 3697322.106 1543642.926 2753839.39 1627935.758 2648534.976 1171599.195 5148599.265 5998893.136 1876990.337 4870614.106 1456221.177 6169416.78 1246322.693 2810116.704 1519476.194 1835297.603 92784.78848 97685.24339 1351798.983 1584319.176 2145619.332 2414640.474 13147235.98 2829968.968 2328005.356 1738644.306 2968028.374 3651712.851 1397910.124 4598258.899 4679532.387 3095171.718 5006400.482 1845199.963 5886364.238 1689507.493 1955054.896 1911485.426 3247981.54 6250351.867 5249066.284 6223497.547 3355657.251 4203265.43 2372603.512 1762262.17 5564180.166 1702070.454 2389276.344 4581610.226 4148780.979 2175548.217 4287055.737 1857918.366 2039330.175 2335385.101 1383582.572 2053437.895 4717763.831 3044682.892 2918573.447 2371617.827 1963363.085 6202980.887 3796744.1 1693083.158 135982.6188 2391155.81 7196204.756 11062666.88 1916464.173 2281332.055 3365331.892 4469253.949 5449492.951 3001831.452 1337709.535 1425871.719 4223532.178 1013168.347 4486185.634 3961375.756 5708140.168 2267941.464 2188567.622 1666234.298 5883703.658 4568184.795 2136751.414 2228602.719 2405078.273 2696134.388 95643.75562 88434.62094 112654.2879 89138.8757 95923.04279 Sistodiolynne 98626.77903 3859898.073 4343472.552 4176239.813 4655200.698 4673238.759 3008189.256 5222020.597 3339626.307 34828.1722 5007768.207 4148109.821 4289712.779 5733389.187 3515474.304 5616402.119 3818356.996 5996058.673 2518731.095 4294161.701 4867598.265 4436402.181 4841127.512 6281612.508 4534988.867 4618895.535 4505079.232 3922783.767 3719529.685 5073458.504 7895381.078 4096572.934 4762648.129 5085501.586 5660547.016 5153755.513 4266078.669 4940997.199 5016457.054 4929407.181 4092244.825 3697590.362 4195177.552 5709629.973 4277646.021 5796253.893 4515963.102 5449071.959 5170897.425 4563175.137 5841343.701 3730549.755 4071140.562 4465228.239 3941675.02 6545998.136 6532761.945 5435411.535 4928909.082 5756771.198 5414920.531 4815162.695 7476932.758 4166285.144 5752231.481 3383560.868 5235683.757 5554899.772 5932565.541 5193679.149 4462166.985 5160728.176 5529830.57 6000235.662 4305192.911 4148744.479 7529826.909 6073794.226 5682472.874 4654551.771 3046830.084 5301050.227 5147035.816 8065763.845 6361271.009 2872097.673 4436923.331 4954318.939 5372433.613 5109432.167 3749299.048 5635550.775 4183113.222 5083999.172 5281402.393 111243.2383 96771.06549 4762664.49 4660098.493 6288455.546 4864387.814 4874524.379 5587748.684 5408129.919 5729292.304 4880954.481 4841526.175 4371475.873 4366338.628 6450883.715 8018224.929 6488558.743 4563151.826 3485043.128 5030180.118 6665146.209 5478356.377 4854593.542 6134076.585 5015245.963 5366609.585 5894944.365 6993652.271 4421966.847 6823106.621 4933155.396 4875514.6 5529648.757 5845281.601 6180925.49 5659480.768 6580599.391 6277803.434 6005868.49 6024650.939 7787997.511 7147387.047 5487415.987 5468812.45 7077476.094 5441335.792 6265026.63 6506012.75 4869866.077 8722503.886 5397074.931 5094282.328 6283755.568 5262047.245 6297727.032 6639634.381 7548661.355 6788379.803 6803795.782 6890226.412 5335837.622 5990403.395 8004587.155 6679033.545 5138477.913 5738463.88 6912719.537 6197337.677 6646784.52 5576499.633 5316500.216 5677787.846 5558475.173 6687709.072 6403191.182 6811638.776 92806.22532 103098.2296 98047.36707 102509.5867 101765.0357 Spylidone 178474.8155 4355094.22 7366206.154 8042898.933 177362.1421 181685.1979 2197670.591 22689030.82 245275.4486 379328.8436 197686.6904 375195.313 1093032.3 341080.7258 312932.4325 332805.5854 3888829.711 7709193.486 112906.0261 499765.9474 396481.8682 12426413.14 127451.9729 171473.1552 121320.5574 6513683.802 8201133.182 2073209.907 2175709.597 132637.3492 202776.7183 122227.8913 290005.5077 43318710.53 180141.8623 281069.4898 325108.5657 215855.8124 277641.2963 407826.644 234482.4089 13121940.52 2780502.205 182478.3942 120551.1077 1118310.783 359799.8288 134314.7425 6924059.703 7775629.101 144423.36 7199023.794 135609.2122 5112547.495 340676.6146 381243.5565 1662688.159 139706.4218 3312301.969 172686.5432 421556.3551 435430.4067 2267082.338 126854.7882 14684879.09 137071.5981 120916.9167 3129298.073 221805.4393 136325.9151 139758.1755 7074697.355 9148523.705 366945.5693 4083156.117 29616420.96 2099253.666 3822752.103 3877900.465 34300055.75 8093480.63 1994272.662 183549.0113 1591691.009 5396828.5 520566.7895 1688655.447 669443.3009 152852.9003 3565333.428 3585182.239 7506436.703 214693.0835 7567966.812 8411157.276 113712.7035 251794.3891 7089142.056 9663370.473 474115.7747 1072116.686 524203.5744 145326.1136 6358859.446 274547.274 8178804.511 236586.7616 173502.0933 1567149.692 208122.2632 139998.6335 4831379.969 6259689.923 8775527.631 532293.7728 9933313.267 10166802.76 994120.5269 1422087.498 235051.0647 1566004.86 317764.5884 3425713.193 5915844.08 324748.7242 537122.0055 4128777.568 185739.8162 242770.7003 2823844.387 245741.655 136894.9299 8633926.406 9260361.264 1025550.934 11562983.14 2509786.019 2105660.889 5686186.456 9608885.479 3877622.413 4831197.206 1908858.603 6539189.708 1886676.677 147866.8707 357399.7029 4638242.329 276109.8847 8392043.73 11206870.4 1951580.369 232030.054 273303.468 4977553.923 21337502.56 10263694.03 1389603.509 9253258.28 869450.7021 404197.4604 2788049.302 408785.7344 2696164.533 438351.1122 505092.3917 1278394.156 191206.6474 8119895.171 10860106.86 6256309.974 267266.2046 244633.662 222579.0336 206096.6917 166752.3208 Staphyloamide B 96191.66593 133349.566 191150.3915 228885.345 139169.3935 648468.6606 139640.5166 1049060.137 426866.0483 5141728.285 366824.9555 524711.8592 227372.5144 162299.823 3305515.85 3474186.141 7263602.506 409434.9934 134146.3986 2115381.512 3990575.225 2051460.209 2598380.695 2327258.632 1384503.376 571247.7744 191398.2314 242055.5232 660547.4295 1415885.518 14772301.58 737238.8498 2460016.249 1793607.207 3056563.838 4904875.679 146388.7212 982560.5605 2183206.071 157090.5003 336904.2369 133580.3068 3272383.349 150059.0318 663341.4454 466361.3475 282948.5527 7242157.277 663685.4566 359226.4856 1787321.935 1836359.768 186616.5271 134358.9459 270442.7665 291090.0923 886782.1642 5414214.3 902572.9453 461259.1713 5471128.274 737735.6128 1100283.292 4312278.565 1530420.134 996450.5342 3899795.481 2022932.635 596602.839 1474397.879 138377.1204 863467.2008 420344.9214 8756309.529 162734.5564 1336165.853 2680813.953 1460748.909 1397806.093 230793.8092 903407.2124 635857.5449 717403.3169 3647052.218 9157750.793 453209.6525 480905.6163 2078516.544 1144640.112 3030402.66 2283230.039 419844.9961 981158.1366 809799.3163 456905.2614 102372.6769 111414.0558 736391.7814 266092.7164 8269643.501 3968458.918 3296522.514 1006657.63 407252.4205 5327629.542 1821092.669 480665.3624 679509.2816 1176204.019 1185056.267 10854451.34 1790409.412 10774495.3 1692686.372 2455199.337 945877.316 465974.844 4152075.355 552785.1816 9341537.039 2883866.384 1534666.996 2050233.563 1193825.435 2294333.094 1954906.76 3165170.409 1150358.643 5620141.497 3590450.686 2967286.654 9268736.771 961042.9321 513444.5336 1613541.116 303991.1786 1184482.235 12687329.91 5704018.04 647143.9685 1015968.226 2615666.054 1525138.171 726303.4238 4067999.101 1224801.566 5578738.224 5806028.379 14213736.35 851323.1342 570975.7354 207050.0297 16754047.62 846592.8045 1968965.096 1534669.284 15214876.92 2917039.871 710222.0843 6497567.394 9161531.478 711337.4485 1103880.962 13512362.26 13744347.61 6204227 1973874.954 6403580.021 1124537.235 232008.9545 1295216.612 102560.0559 108764.6588 109999.2828 98128.91525 102734.2449 Styrene 89884.98541 467152.9015 663803.4207 863889.6175 398440.5274 833196.5562 705713.5895 846505.6136 659271.2012 560945.9678 898848.9027 737375.9327 787382.3259 986412.8721 621050.817 536152.0698 573876.4677 865010.0737 480224.4354 579292.5548 847261.4494 465115.3986 800345.7469 1175720.697 732812.0261 704120.9044 828138.3939 750972.6996 648640.8867 552347.1251 1282828.768 444973.3991 831262.7282 914147.6269 969737.7891 864787.9036 712919.3454 836822.4503 913569.5534 856104.0477 855746.3399 664886.8318 442950.5388 481291.1141 289196.8982 1168904.19 843814.2912 957521.2723 900512.3222 888425.3151 962435.1018 750702.5993 799254.3825 540239.7947 641508.8809 1006384.086 1062241.415 1001731.31 893924.4048 862465.8866 983154.862 697678.0864 1209024.89 830774.805 913574.797 688003.257 952638.9446 808135.6831 917043.8476 986961.5373 738071.8422 875069.0642 933861.1067 1098897.76 739828.3997 718616.2579 1110900.345 985104.3838 895638.7667 992858.1479 549075.2441 636701.1636 880914.8819 1228994.513 573945.7001 496564.2919 786743.0526 845294.9885 916913.7624 952362.2946 635127.5134 688273.4281 638911.6923 874376.5864 882252.5316 98155.63278 85726.05666 780757.9308 791926.2313 939705.1389 853340.4195 834459.0919 957162.9992 922347.5417 961269.4732 872569.4226 826631.9649 878492.8346 789639.3721 985194.5758 1440368.986 1117192.628 848845.8826 621563.731 585402.4698 378919.0453 992136.9909 734593.1538 1144443.787 872718.5255 879854.8069 1043244.218 1165885.362 849054.6936 1202131.189 932579.4714 896968.5515 905779.9049 841806.7439 988473.3143 921793.3539 1148054.218 1025533.709 990423.4282 1057703.249 1232539.544 1069615.897 890171.2601 1027290.118 1114015.712 847795.3356 1114580.946 1068085.484 845318.8804 1297679.171 738792.5933 921824.662 1012444.042 1124986.596 942631.8494 510560.4955 1299218.268 1064358.164 1020040.994 1196544.957 849092.7634 1145127.041 1077165.542 1143823.6 928125.1607 1021799.575 930215.7427 1076688.804 1059233.657 973402.2438 956278.2019 1026113.995 587912.673 1050441.123 1089481.452 1013417.649 78191.31143 92956.14939 83047.91205 92425.41297 92385.34965 Symmetricdimethylarginine 89519.23337 17468398.9 17615088.35 19340942.69 20083218.12 16296899.41 21209563.82 36944710.95 27191459.32 22655093.2 37040888.03 17667230.29 29103789.29 31837413.51 28667357.11 39423021.78 40152224.51 41556227.07 18587240.29 45938313.31 31556031.91 35472020.39 35034843.8 38096269.23 32000803.72 18353322.44 20483899.05 26560419.42 31543506.58 33782577.24 40837307.07 38281666.43 34863535.88 44802468.71 38431695.8 29528100.46 34470403.9 26695332.49 30043932.86 29296919.19 30755738.96 31674426.57 35280018.45 36474730.92 28990191.08 27762517.36 32074024.79 39747239.31 19279683.47 20841359.5 30441056.76 35757330.66 20233844.83 34821692.58 30142174.41 65800265.42 65603742.43 23284994.65 27854277.03 34827710.37 32581004.26 25995115.49 31801814.44 21108221.66 28812009.36 21911641.31 28260663.58 33648491.27 24544745.32 30921103.93 35654054.86 20668897.49 26360158.32 19684220.92 33554146.43 31146687.89 27936095.28 38883949.86 24066277.55 19891647.16 21460884.04 24745902.17 26991275.05 39376154.83 29956198.24 20406835.19 19300546.95 27609224.91 22552407.9 21022527.16 27278308.25 27707674.63 19706570.23 20587803.46 22657091.66 88834.45943 81000.62536 18672567.63 20608818.38 36142682.92 25382732.14 33008881.17 32339847.65 27467781.46 19955310.62 27905830.34 33138149.87 27465577.06 22279078.02 28770488.47 21739290.12 38007656.51 20652928.73 23061106.43 38013454.78 20973787.02 19977633.93 23086376.04 31703671.92 28935232.82 28614316.11 19878409.75 29230398.21 14446269.33 29382199.71 23193703.79 36837798.3 24846279.6 26174998.15 22425755.89 22476737.22 23055609.07 22381424.86 26637324.04 28074644.97 34297004.2 28646736.05 32694531.68 24697706.14 30251847.79 30206951.54 25477446.29 35836895.03 27758415.85 159022.0707 21728619.26 32697102.21 25935706.02 28195617.21 21900229.18 27945754.34 38097771.1 16614210.36 29664829.53 25402732.03 26369301.63 26806032 20339642.04 39590952.36 26952754.41 32453381.36 32674422.73 39135215.16 27249056.56 22942093.13 24592134.45 43508764.4 16248024.2 24568706.34 31105011.23 30883515.85 77596.54876 82720.55445 72604.25785 79157.71697 78618.68396 Taurochenodeoxycholic acid; ΔMass: -52.9571 Da 643784.2557 1641764.683 1291677.842 756103.1397 2641372.998 2000215.383 1528661.736 4335573.447 796459.4347 2892519.027 953995.5376 4092268 2202347.38 1706387.523 3082737.593 4572233.122 2048129.299 1202314.678 1624155.97 5685151.216 3221406.15 6224069.196 500511.3446 5683706.367 1049503.755 1174795.786 1427191.789 3106540.297 3766561.546 3895320.595 2261495.541 1721858.711 2206805.494 1878944.14 5351899.951 3765584.396 1634171.312 2347601.952 8792990.581 3582077.244 2010151.377 1291377.502 3371484.804 4875053.565 1844604.096 2826502.05 5419245.251 952557.1029 932735.3562 885541.8715 1536094.469 3293649.277 8840205.27 2528536.487 1936923.595 3163225.171 1893749.051 8157188.26 2015504.245 2776785.398 4866185.643 9984948.089 5182098.744 4680773.698 2855934.231 927298.3538 3186291.683 1391415.405 1664125.602 1286175.569 3695708.533 1103204.395 1077944.692 1819633.585 1550470.949 925539.5057 1103395.215 979172.7473 2726004.861 3063486.388 3905230.208 2116001.53 3529564.256 1289264.076 669545.6655 1907987.713 3105721.268 3510930.925 2577420.27 809099.0508 5810275.502 949366.432 740056.0806 885072.7101 1033373.487 1094843.073 240574.2119 1233078.279 1438398.595 1967031.165 3227350.181 5720604.369 3733401.731 2880622.927 2196759.863 2819208.792 923984.8523 1582457.494 6577341.567 8149480.995 1757160.946 3276054.48 3669276.669 3951888.585 2019952.585 1357682.041 963508.6365 815153.3881 4508893.594 1787538.496 1441012.215 3573117.403 7094391.926 956395.5824 3258972.516 1130086.841 6376121.251 1300173.094 1437463.245 1631475.203 2295966.743 1022514.942 1170912.849 997834.2648 1007525.097 5579141.27 1934862.653 965652.0613 5009860.6 3939294.925 3871930.723 775998.8185 1401830.371 2623300.049 841376.8335 1310160.192 4702925.846 1701446.951 2643470.872 1180214.196 842308.9078 3709340.417 5070981.748 2142435.862 945470.3703 4700160.432 4722474.176 937400.7634 900752.4993 1954995.489 2014394.847 2596464.066 4911544.43 4138230.543 2363313.303 3924909.686 1162037.071 3442558.278 1451032.426 1084293.231 2182153.578 259758.2809 159791.001 170236.4408 151547.3141 210198.4137 Taurochenodeoxycholicacid 65449.01552 1105247.031 2296451.308 3510616.733 319804.6128 642560.7263 57786.75907 302675.228 63555.78916 66974.87918 936909.3054 267616.5968 192726.8553 443976.01 176886.1191 779707.8662 1182521.117 440400.5967 2042145.264 531119.1888 613035.1409 3856520.686 2555158.514 560869.6471 432342.6821 2326907.999 3967433.956 511925.6715 62932.58948 417460.4717 269243.2811 62160.99043 1007633.376 8037771.697 416239.1472 201486.1941 915767.9809 573474.7224 253878.8546 236976.1537 1217864.43 4225682.101 110068.5867 2242992.318 462153.3016 503007.6816 231828.1642 99152.99324 2182418.499 3844120.539 1285582.277 1136503.828 457891.386 506824.2698 1010844.916 510722.1757 1076654.003 426542.9989 191527.2339 370917.2547 89542.9124 145945.0298 475131.913 61786.7661 5766026.242 142173.5035 96440.43918 595343.1311 1078198.389 821542.4855 1208732.905 2436746.19 4396809.834 412592.1909 455689.829 2999201.629 407604.5376 4517372.764 543954.6391 3747677.077 1622984.653 639285.4062 68198.22164 707775.14 375703.2373 775957.9342 126495.7993 365811.1761 90415.4393 301588.899 83896.77657 3193643.247 380380.9604 2837303.818 4288276.755 67435.1911 67396.85477 2445228.888 3619207.734 622761.6419 117122.3744 67883.04636 114539.3146 1852201.75 2558008.105 1472021.396 62519.42675 244229.6707 806927.0095 1168419.276 76413.69297 1105942.676 8920189.522 1884268.435 206071.5442 3318780.307 4873684.093 2195032.915 283720.6891 153748.1458 84151.48312 417697.9436 1866365.015 5474248.019 493766.2438 286827.6788 3648978.781 1246235.792 591294.4132 392967.6092 369386.5356 180425.1395 3290602.147 4838390.052 85188.37911 911219.1803 122920.6629 221849.9039 1799601.317 502231.1802 727415.7093 323847.0773 1226088.108 8678643.495 4407871.875 92768.75728 391939.3806 423018.5218 64993.79897 3113126.582 5275565.75 2326032.012 70367.55126 131686.9973 7153280.8 7608480.364 2804006.834 920528.0808 2334148.304 471990.3885 65249.26666 671578.9394 67774.68994 587261.1994 452069.0884 342446.5131 332554.9671 480253.7421 2971605.436 5088702.584 1441149.425 68405.69623 67023.16071 68963.31468 69677.62505 82694.71484 Thymidine-3-mercaptocarbamic acid 126681.6414 425233.2653 108951.4937 101579.5074 4760872.277 2096796.418 3478041.878 4259065.706 2019944.312 4922479.331 4375687.525 3337175.137 2900575.985 6474895.074 4208481.676 5224959.374 6395189.575 4229870.358 1514855.004 4547604.263 3729164.081 2979740.199 8797776.987 9600441.3 6288564.838 94063.34904 89298.70642 2486982.826 2485630.458 2453920.066 7720344.557 4247577.83 5714166.496 4017984.88 4121542.06 6057935.498 2969297.329 8008057.232 4288304.299 8522620.235 4974162.502 5593238.381 3313097.454 4562729.086 5188991.342 7030680.895 6770032.238 4034327.339 94094.23213 97201.82312 8201937.993 4393925.088 5107667.175 9199446.205 4034015.435 12839123.84 8610378.542 4985762.77 4102979.943 9590931.606 5997004.909 2238867.366 2147447.671 10762265.08 2532179.249 4245820.673 2789124.171 5679705.405 4320930.027 4033132.644 2561821.593 89631.09644 127752.0568 7257194.78 3313901.228 4097558.292 4619514.052 8394382.758 10034618.5 6288364.241 8407153.96 2569811.417 6014092.236 4722948.745 3522138.84 3157478.651 6017807.409 6618746.419 3866943.316 3395620.238 11545400.48 4657114.327 2384542.349 102329.5338 93598.10447 112539.1962 115425.5678 80101.26094 103025.5006 5206342.998 4086257.884 5323533.431 5693894.486 2822978.704 3320198.569 5484125.055 2956278.878 4840689.171 4296288.116 7468585.747 5543329.007 2710774.197 7253298.533 2694437.799 2218990.291 101438.1581 98390.48001 12691044.22 2430746.474 5255119.001 1806942.96 7773328.137 4938573.664 2300092.936 5711308.326 3043984.916 2861663.47 10621982.52 6177578.068 2851142.604 3606885.766 6985558.986 102033.5107 105296.4405 2706121.955 2054300.853 2799286.082 8456079.729 4349622.01 2551065.353 3590705.863 2791020.207 2776862.958 3582632.663 4323931.73 2838384.993 4656396.354 4025631.589 13795906.44 93285.23544 102384.0532 4314571.318 2488630.301 3779126.329 3022677.077 2076696.705 2822831.555 4106320.519 2492146.501 9285566.156 2521533.359 3327642.673 4897452.218 3507032.307 6313483.666 4081785.481 2557282.564 2925911.073 99242.93947 106223.5934 863038.9336 79314.19137 92954.41559 93236.91735 109975.6977 99366.49169 TM-64 144316.8116 2087283.388 113416.4419 260337.8245 1898413.817 2176958.56 2845815.495 2672177.839 3235981.219 2884069.616 2765596.478 2277623.365 2884830.203 2837800.616 3337988.311 2967296.164 3459780.607 2627004.13 2840772.463 4098035.596 3467117.247 3859329.412 3509300.559 2971107.143 2336320.744 236155.9914 196137.0465 3320148.064 3820978.883 3344712.079 3958715.163 3288978.664 3487830.523 3906024.53 3724493.138 3061897.097 3787785.012 3141992.123 3622634.535 3772270.301 884098.4051 3666771.083 3403146.179 3250793.758 3106662.131 2239638.058 2617190.742 3839630.409 370677.1783 439629.2898 2564496.529 4535518.354 2684266.881 3375393.255 4184079.276 3957472.566 3818690.026 2626350.156 3294484.126 3416592.195 3078193.226 3351455.227 3671608.656 3366511.606 4019639.12 3476088.419 3718524.075 3726999.373 3615797.124 3037716.528 4280215.36 399211.9231 409878.2063 2920879.871 3813123.122 4261564.62 1792954.556 4159195.551 3263282.273 3798495.292 3579652.846 3760697.987 3883461.091 2669954.381 3642070.884 4361135.593 3391601.126 4399495.619 4018142.122 4354293.521 4413470.083 3387775.518 3425606.274 496565.4751 495910.9345 128003.372 138517.6859 502130.6968 458375.4763 4033831.685 3901291.61 4319929.02 4740460.714 3896778.168 1424151.11 3494336.551 3979666.687 3970094.079 4053955.754 4281011.791 3193174.285 4407405.067 3578006.308 3741868.617 4893079.629 619924.3162 586256.5393 3803513.338 4282037.697 4174080.956 3969133.557 3541591.98 3962763.332 3328210.65 4152790.613 4038490.574 4474700.021 4535933.357 3769401.246 4270298.5 4274319.123 3838669.404 614294.2502 667371.9429 4475499.28 4434047.634 4522031.011 5293986.929 5264948.382 4735995.777 5109885.951 3945390.887 4787022.029 4584273.09 4474094.158 4290819.976 5479707.533 3456639.483 4085037.094 621982.1625 638153.9303 4093556.666 3532156.733 4397242.07 4347706.963 3879392.475 3826328.44 4027808.584 4237549.99 4894627.693 4638051.767 5109025.478 4729453.902 4112217.422 4399429.998 3650719.364 4030714.285 3892136.93 771581.6744 712509.5938 4033237.324 127317.3368 121777.8236 130405.8257 132907.4552 108478.4133 Tranexamic Acid 1051379.013 3966545.052 3075387.369 4484287.383 1117443.325 838403.7018 1520259.242 1873092.903 1070139.642 3026463.457 1079765.988 1319048.973 1194005.627 160106.3111 1540434.644 1914890.993 1520538.041 3884171.005 1223076.881 2303658.148 644730.1864 4190826.283 1726189.005 4602194.061 1285417.407 2281481.904 4418087.102 502664.098 887066.7562 815902.3903 347139.2106 1135743.751 1788272.611 554525.1999 1335344.107 724416.7504 635080.1637 864851.1422 1863915.191 7407675.119 722050.1698 500518.8597 1586693.79 186374.2158 316118.709 354195.8378 393099.7469 795823.3027 1982804.01 3688133.828 477161.1338 652902.3632 128274.997 8372703.748 420747.1109 292168.6307 161744.0671 2873351.569 5841399.404 182566.4994 501620.0857 397232.7303 3448298.647 1813765.453 1065740.223 894964.0841 457789.5706 602567.5162 161808.5087 933714.1319 9419541.952 2127335.544 3968658.825 21553941.42 375811.9413 877865.7995 180894.0309 1266071.588 206812.2323 750931.7352 959888.1543 136602.1849 229320.2508 510096.7627 501534.9117 1671771.019 363987.3238 617842.3847 1349848.309 1510070.036 200632.06 1848052.325 1973527.644 1967249.79 3844713.921 837555.6013 659077.6297 2273507.267 3694794.948 216293.5649 521657.7166 1775396.685 961736.8649 1386146.684 487923.715 681031.9444 1907690.824 2805893.635 718759.2507 8733708.484 448271.5219 504764.2862 1412276.927 682560.6959 1027396.479 2410392.565 3799612.987 580635.7753 2831523.858 1422762.319 2041196.158 1290599.869 2202808.374 226885.8415 638407.1429 7068373.293 543108.2347 202538.4232 398257.6509 7940937.208 1097283.339 822052.7451 1888819.777 3707601.849 372047.094 135596.9778 3187886.432 568124.1684 11316092.97 5330101.303 4969763.736 5101038.519 4830657.196 961288.3333 162276.2728 451161.997 2302569.34 251632.0856 250394.1278 1395969.438 4337947.015 335333.1729 848262.0853 1321314.958 939843.8622 1273395.693 1274759.752 708238.4637 1598370.617 243456.8032 4195914.551 461476.1265 193293.4579 6528350.977 176429.6226 332283.7345 536309.0693 651457.8601 1712129.417 4429239.417 3489144.118 410790.8272 132003.596 85516.80531 130516.2321 87370.91762 Trans-4-aminoproline1 222898.6509 6422699.562 9579488.27 8383689.464 6440348.615 8111645.491 5132374.768 8973052.52 6305935.254 8125694.498 8974864.454 8329348.061 9854173.466 6086667.836 7269799.897 7496225.629 11594735.55 9643682.961 6273729.832 10005230.95 6961900.945 7417625.787 7287644.205 7277797.551 6876025.716 9251564.464 9052245.759 7653207.51 5569518.828 7544129.345 13190042.79 7598906.905 9036146.255 8157684.891 6714365.117 10143564.62 8528576.736 6425323.525 6053573.987 8024112.824 6212473.091 6668504.247 7701019.004 6785306.416 7519074.188 10959442.38 6296690.254 16770686.59 9741903.5 9231796.547 7974500.079 6441529.832 7370071.716 6188966.682 7526340.309 9607327.956 8622689.084 13078398.16 6760952.202 10003703.41 8185803.466 8578722.737 8391708.311 9396359.526 7401879.478 8570291.654 6572021.226 12932701.45 6928489.945 6257521.131 7199661.167 10760603.18 10529447.9 8219466.817 7472919.533 9926744.834 9412933.861 12044482.69 7062131.582 8546326.315 7074273.664 7969712.943 11232437.19 13968550.13 14090140.53 6981895.2 7141209.779 11335697.28 9683814.464 13343282.04 8067210.269 7278612.197 7036862.776 11306210.25 10096106.12 173251.9194 242847.0314 9772854.827 9181345.106 11423209.74 7506404.726 10060935.62 10706234.85 8428084.625 4058250.459 5471126.508 10634277.58 7519547.911 7345430.896 8305906.606 9110227.471 10912325.78 8323390.084 7250904.802 10869453.54 12047900.62 10547093.63 4667955.011 8330398.388 10479637.57 7622240.668 9598739.11 4799415.654 6358005.452 12785960.46 8013203.766 8464094.246 12227212.43 7837997.464 7892650.918 7443499.453 6331008.065 12276123.79 11174562.32 10009795.57 4855258.709 14582212.93 8103735.026 7758000.117 11205250.81 11359957.87 5573158.855 9981476.855 9423973.974 14749692.2 10044671.25 9902458.994 8278177.463 8022622.623 13331553.68 12047485.44 14346518.79 12225240.41 11854542.43 12626665.36 9007744.256 9124743.045 9120709.006 10305381.98 13502180.52 12730312.35 6072972.362 223604.067 9155870.937 8884969.664 4559319.268 8305596.371 9304841.728 13857315.01 13263896.34 205003.1048 213181.5439 212066.463 190120.0307 253784.2308 228359.9481 Trans-4-aminoproline2 145682.9737 563645.486 598934.976 669234.9955 582878.6758 667043.2454 608427.4109 985075.9889 594571.1145 751088.4392 868388.8902 686042.1011 565406.4856 465769.6392 627108.2471 873918.928 1178224.963 777350.0334 1105523.538 1262064.209 887913.8995 626826.3765 851969.083 1190218.837 978657.9293 637752.2899 749088.8097 642390.7439 1712275.799 1097130.241 1276153.596 1136797.068 1307163.72 1061299.969 1350719.811 636321.6356 1153134.462 1110876.378 1113903.254 917413.4591 1079473.788 873879.5453 777524.9001 996989.2777 1121035.662 566877.6278 739229.8683 1390432.1 703662.7237 705373.2088 1056455.67 1392384.134 603450.8271 1434646.004 1722346.782 1255269.186 1686446.495 751529.3693 812639.1092 2449378.823 1299793.171 1067689.009 1687857.823 614906.0641 697025.9594 1288745.319 1260717.807 1190276.723 710916.1016 1274243.523 1400464.086 809442.3968 1094345.954 637038.8764 1333155.783 2470745.771 1025323.253 1982795.197 1138840.517 948019.1476 733600.8313 893265.4406 833085.1186 1263052.756 1793341.651 819472.7976 759765.5627 1190340.759 1235179.656 701693.3404 1788476.152 847533.0264 1200563.357 1005689.97 971964.7629 121031.8104 137310.1768 805820.2259 827109.2239 1021643.945 620405.5386 682275.9631 923301.325 977520.6577 708582.334 1261165.555 1561062.47 1254828.39 753696.1087 1007580.032 1147540.087 685430.6173 1334845.604 4029591.538 1125450.572 918736.3258 995246.9224 1822671.588 856029.0709 1848782.485 1152889.952 821500.6431 724328.227 641858.0334 1212063.32 778406.4701 1162225.241 696376.4815 820456.0828 744996.53 716993.0363 1282501.157 1056238.574 1057258.414 923156.8926 1227962.976 1007777.347 1998706.478 1193080.681 1163675.098 811912.0064 602851.3259 1151105.453 1217994.677 1347121.881 1201554.392 909322.0063 2277378.819 948195.3863 1085283.304 1302452.093 1044787.354 804348.098 1455124.378 1528804.554 1049816.485 1300781.573 1141503.866 901320.6743 1117553.123 1345368.95 835923.788 1576028.74 1118009.446 1151043.597 935038.7683 484108.1839 727220.8615 1194380.14 1269351.401 1794753.286 103242.0099 106457.4599 109395.1665 124902.4055 125917.727 Trehalamine 213971.4948 2715717.212 1183471.537 937946.5694 1657250.068 1417233.277 4175283.952 2001102.574 1919944.285 3732629.604 4238363.407 1665140.974 1548709.605 1513211.884 7101852.38 1640325.596 3382116.908 2159781.382 1640821.17 3960743.397 2927557.931 4135211.873 3041298.116 1455761.345 4310594.85 1097557.38 984731.1358 4757313.764 4422496.327 1455865.741 3136868.111 5082459.514 3947622.631 2845251.25 944289.7453 1548161.504 2291185.926 680580.251 1841196.327 1447303.111 2210518.53 6066506.352 5193633.786 1914512.879 1514197.625 1563367.792 2540711.407 4739623.337 902808.3208 990165.6379 2527424.019 3733137.51 1595094.624 3916197.421 4039909.223 3123464.244 2452836.303 834184.1029 2763682.125 1597707.811 6100010.991 1237207.208 3360450.188 3085063.986 2997966.8 8541445.676 2282535.024 3992136.916 2310206.772 1690517.961 7429210.805 1131174.046 1456365.565 1782495.794 3389114.432 7334333.942 2231294.989 2984847.506 916378.9609 5598502.816 2355750.151 3421405.976 6860742.634 2672581.197 2660945.242 3479168.759 2756350.813 3726893.041 4184865.539 2131850.119 4485878.931 7069597.229 2066115.646 1147512.914 937898.7434 173617.9557 204558.4287 1002816.612 892858.6023 5605506.547 2151313.309 3589218.119 6470106.889 2906640.347 3411411.154 2632616.78 10438182.27 4495939.553 2348158.474 2754853.232 1705465.008 2558983.058 2564136.122 6799303.518 4643550.374 1074383.733 779951.1251 1982574.056 3085129.147 5372186.392 5688906.223 1791630.327 2072773.713 2339965.13 3538278.766 2032911.207 1258139.885 2607729.584 5336791.065 2463832.911 3275813.959 1861521.493 962089.6571 729131.5255 2620807.293 8519191.222 4689356.876 5374741.495 4598269.296 5498653.955 5847907.31 4154849.149 6973296.947 5689533.56 2263775.982 3670314.322 94121.54698 3530025.944 2755188.415 1009678.84 901095.1182 5404243.225 2389217.905 11860250.65 2815371.661 3649117.576 1827073.604 4022648.923 2608441.483 2831805.595 4823475.33 5946144.032 4637212.61 3226818.081 2392153.6 2987378.21 3297135.807 2586991.455 964448.9189 891467.1937 10208970.28 212295.6011 214944.5995 196620.199 184538.0904 214223.3832 Tricholide B 138227.3527 1375800.306 4871448.64 3852316.293 1837465.29 2355117.606 1797922.032 3570887.305 2004570.229 1408712.27 1952553.371 2747602.459 2311129.202 1854388.713 2540167.896 2934520.289 3185287.928 2299519.775 1868332.205 2898948.626 2836705.36 1928279.99 3024905.536 3174599.679 2678922.307 6373305.439 5422321.414 3216524.722 2657275.628 2514001.855 4180107.906 2787488.346 2735212.705 2479639.185 3248208.994 2775931.378 1774676.882 2346235.217 5342595.364 3232417.015 2975356.568 2899379.847 2699262.095 3941971.498 1677717.604 2469117.663 4235647.145 1778293.898 7054014.275 5555449.058 2910724.207 3351261.878 2002860.624 2343747.675 2070103.843 4202216.71 3846486.253 3590392.621 3141296.707 3359941.731 4069205.315 6221934.799 6439523.157 5476945.791 3722578.761 7342014.638 4990602.939 4142862.758 4625698.753 5036137.855 4875515.185 10092732.25 9282151.721 5417319.97 4029494.722 2340379.651 4966475.289 2799206.078 3104927.986 4974589.776 5450241.667 4047802.334 3494033.942 3347301.356 2678856.807 3891249.655 4490041.706 3476616.492 4030433.623 3394572.455 4760839.481 4046772.132 4085942.777 10682422.53 7987500.064 114096.5766 116032.8605 9730232.621 7259887.439 3305431.429 4585058.908 10462137.99 5834719.797 4185096.783 1958273.56 8257253.479 4580157.52 3635290.752 5908264.601 4603192.982 4009468.698 5214909.31 3673225.154 3913565.593 4301308.575 13714136.54 8772121.227 2308227.312 6096430.378 4054030.948 6028250.833 4413103.052 4232080.269 3746510.343 3528042.026 3854352.446 4852549.716 9112324.465 5466868.273 4645629.507 6813316.235 5304433.064 12809747.08 9356362.896 4886029.359 3107617.251 4147180.772 166765.4196 4467950.791 6505927.201 3634064.786 5590262.075 5849004.217 4179766.538 3205369.371 2805496.481 4795488.032 6726992.439 5917519.902 13581724.47 11184160.01 10807442.28 5379473.186 7452535.313 3335087.822 3143685.714 5195128.469 6887834.28 5876246.768 5649406.248 6512761.383 11175855.65 8714855.249 5260648.163 3720284.817 6948224.719 5491835.936 3399715.961 18688620.04 15400757.99 4687891.333 113503.3607 114113.6782 145113.6645 105990.1033 133091.0869 Triphenylphosphine oxide 150058.6959 575217.225 557546.743 637674.1908 192762.3395 226974.3761 207496.3525 166291.3288 393540.2177 174880.4951 152471.254 1664539.624 8997298.654 255530.6013 179542.0653 245662.1904 1197787.539 618170.8247 159209.1044 2063094.859 1945751.275 675195.2022 153181.3391 2606494.775 167850.7474 623838.132 480930.2818 155005.524 1311423.463 190055.1031 317877.6503 167563.3682 4197521.379 213931.7641 1985445.56 165127.7522 265509.6395 170119.6832 1779804.088 169753.1695 2568297.003 4000086.539 4299512.54 3547438.751 149412.1756 218228.6247 749617.3202 168090.4285 296387.6787 204552.6453 174995.9907 188619.4779 172392.7051 16006548.91 320505.0219 217299.1928 455329.2259 427929.6227 3087607.131 219064.3349 412301.5962 186860.8462 169113.5611 183417.9914 875568.5917 1264328.344 186947.0456 532687.3178 197987.6463 553083.5137 492325.9186 844579.4721 304079.3282 1921473.947 5344432.093 193352.7722 318311.6873 726057.8452 1067642.971 280630.8608 597153.4728 276866.2476 161462.3064 422210.2856 250855.0599 153594.7499 148168.6744 182315.1782 191334.0897 169414.0604 203771.2025 160093.5245 182520.1701 633083.5527 584408.2613 187064.3101 190393.9886 641589.7055 400520.145 689647.9012 156352.8074 187715.3469 1141313.042 30731280.89 162157.7098 153995.5157 215175.4198 2728179.495 4722857.21 159973.8858 148692.733 167926.427 156138.0342 118641036.2 151270.0839 1064859.659 528476.7627 567107.0956 151854.8628 178718.8261 181863.4004 1426795.068 2307485.42 187908.5648 809579.5606 210669.9297 163938.9869 241263.0375 153661.8416 163849.1527 253392.4819 264386.8808 975536.7629 303264.6812 123601.5169 166468.6708 967233.1106 184785.2218 1307989.985 192372.1061 2141956.766 190741.5708 231139.64 2292962.397 640825.2204 241506.4501 152149.8311 1869659.034 173507.5557 662526.0619 390542.3866 173091.6159 169650.8882 357084.2641 21306957.4 142103.1301 205675.1213 211397.2302 170553.49 2096601.86 1423594.614 1441623.508 277885.7395 163994.0978 274479.9695 169142.198 185777.8109 156235.7421 351909.7153 327762.0353 1050903.587 159618.7813 161070.3472 183173.9508 184340.0107 164977.3443 Tris(2-butoxyethyl) phosphate 3421333.435 2559682.54 2352358.802 688541.3368 4945046.931 880159.1671 3533171.261 1135004.209 4536894.368 1817194.978 7479547.017 670257.5781 7242052.827 13196471.15 4716135.753 1711839.365 686969.7372 2401577.582 2134908.514 2033468.33 2326664.697 2459523.257 2216076.471 2231733.192 2666247.291 78911824.23 748714.8227 8058853.285 2411509.804 1260485.166 2478752.104 1923253.175 2513423.569 6024418.927 2583293.627 2127131.524 1363729.195 1634097.921 2299852.22 2502377.297 8404154.083 2802629.386 1717916.843 2045460.902 2353409.705 1504002.553 2217271.254 1957870.222 3134906.903 1218213.795 2249899.38 2099666.051 2401649.441 2404718.747 2812987.065 4061194.432 2222728.809 749296.499 3551777.636 1435410.952 4899081.763 15776493.37 4635192.095 2354346.961 1760983.635 1457196.125 2782391.674 16427828.04 2164783.771 890536.7667 1980815.648 982838.5626 1194885.078 5830476.79 1265177.034 3915293.411 967176.6249 2392082.593 2538873.306 2628873.612 1665673.932 2427944.574 1558548.177 1421106.833 1167648.994 2093408.557 1980235.428 1219485.489 3067983.877 1866534.581 807423.3029 1990341.434 59536952.98 1568057.205 993952.3568 1639076.399 4931315.301 2360419.536 1482835.984 4684364.858 5637012.255 4766144.423 4736451.389 4174589.023 4956953.941 4644221.846 4151031.227 4247008.155 5601313.656 4332836.466 3923265.459 6405545.069 4469412.609 4822935.093 11115241.21 1167450.583 2601264.204 3342428.862 5368930.25 4803137.11 4148458.771 4067520.651 5144712.059 4005133.79 12951029.46 9994955.901 5315943.653 14346198.22 4384476.758 7379192.079 4501661.126 5929804.383 1072774.728 2541431.683 22973017.85 5266555.362 5389526.639 1815983.156 4836321.932 5044223.774 5663417.707 18566750.84 5376312.256 5442681.203 8797197.814 4638320.041 4565597.634 5934742.031 12213972.35 1277982.135 1866779.501 4367860.733 4827487.208 4654380.403 1811260.012 6582683.084 5697018.896 4026643.14 5984037.29 5360876.263 19200435.49 5002628.398 6930812.559 4725752.246 4646562.467 4975734.874 5328214.517 7150403.561 2785909.125 2947724.244 5646302.541 5180659.109 4777417.741 5386063.992 5239802.015 4980944.532 Tryptophan 132911.1951 364341603.2 400701389.4 380891377.3 495142417 455134309.3 293856568.4 379516999.9 407774624.6 337861217.8 456433200.7 439626381.7 533947132.3 812969867.7 439702135.3 570695601 250519215.6 472527646.2 230661548.9 514144767.4 605901999.9 530359296.2 597390180.1 532126783.5 593049608.3 442187389 438926511.5 435079620.5 292733693.9 454724503.1 761254526.7 496906484.6 563103328.9 596536829 647927668.9 696963450.2 467879898.2 514596030 420024701.9 564511141.3 538995001 462780309.7 530938099.5 670177147.3 531671693 826885582.2 546024244.2 724878901 474870961.6 432054468.3 626743476.5 481542925.4 631770429 468294327 411666571.7 667421144.8 639151697.1 461734614.4 648808700.8 939982895.2 628853426.6 565265493.4 473033790.6 551193113.8 604644531.2 442158346.1 553532755.8 470495022 641201939.5 677255522.7 424118774.8 484569796.2 495118102.2 630350499 440148972.4 676573610.5 831920824.6 513021507.5 740698867.6 556854429.9 408489240.4 653688580.4 547972758.3 712506388.5 636240642.9 417335149.1 472599320.3 541513010.4 645502926.5 654048766.6 385812537.3 798875881.1 510272988.7 511269610.2 479289890.9 1387628.98 106064.1652 465889786.4 450082808.9 570317697.8 612720548.3 650543435.9 537703065.6 612883549.4 670834767.2 409796756.9 705469444.5 588409477.2 528502561.5 452142804.6 666901458.6 716699279.1 514592839.5 290361450.7 597580296.7 628014346.3 458759329.3 722513392.5 601991617.3 588107471.3 553134031.9 584638925.2 616927480.7 551902672.8 823487136.5 591761751.3 656163777.3 628914237 628826859.3 800908720 609568606 560762029.8 514751922.1 479277184.1 725710114.5 919338109.1 700681783.4 574878364.3 602566680.9 708610020.4 655524711.1 774050755.5 692451766.6 633298946.2 703708641.7 574906849.2 664996586.6 759683163.4 570800711.2 587544419.8 524752866.3 838274456.8 689579266.7 615422174.5 654837048.7 810545838.1 522813379.2 800254443.6 667682529.7 723291907.6 591329562.1 617431213.2 555185414.2 635342742.6 627309623.7 468568443.2 667807551.2 712607353 555039935.3 546222216.8 555060982.4 93156.98956 97192.20964 104396.6368 94162.17656 103170.8202 Uric acid1 130868.2606 693645490.7 602494547.2 621520700.3 797236829.9 826102288 878042460.7 888816040.4 741760404.3 898582871.2 1147601649 1087832662 830340844.8 1301612840 984338172.4 1375014908 1521049346 1666318532 1248648232 1175683781 721778246 1060765834 775556477.8 1589921505 781733154.5 657864109.6 684984509.1 773103745 960770880.7 1657634530 1556273759 1244558607 1293498597 1359966574 1290883053 1434703451 1022899594 1720873290 1225881245 1191915387 1283735893 1369394914 1348066753 1571769884 1233844233 1660267123 1081577988 1193227093 687017666.2 718265130.8 1035082248 1531643669 995036025 1150404280 1077710690 1788976786 1994099692 1024732411 664317385 1298797139 1290296150 1332986991 1269313969 1164095572 1200988225 1178408440 1209842874 1495655506 1120599634 1358234450 1311006008 793428304.6 851477014.8 927051422.3 1057177259 1507902636 1688210778 1262050090 1419815860 1070516859 919223663.8 861443625 1481896449 1334337188 581280187.8 1011423607 1182758462 1497425486 969893732 1405722953 2484656941 1342415894 1071816292 848317728.5 813690992.1 112598.8985 103280.1059 733222319.6 774819584.7 1272807229 801368570.9 1406659193 1495740011 965116054.1 1260693626 1619565525 1085826114 975472639.1 1306624981 1677221836 1092114529 1231441182 1171495142 1110216755 1160017904 877237664.9 846581047.6 899946663.4 1082494970 1171231690 1242635860 1420360328 1502406178 1255767737 1349348220 1022757000 1162062279 1229161678 1333693739 1472826064 1318241126 1368247112 910751641.4 893239307.1 1469006141 1205578184 1438977836 1682611441 1302463659 1167857592 845786769.4 1433596966 1491800333 1384115451 1801986651 1030522734 2125995505 1740159627 2258086497 902081213.3 963052104.7 2018903890 1325632913 1047078766 1546765653 1346644127 1621546385 1888125885 1885766797 1161388751 1414254109 1704015470 1758458831 1570234398 1550061245 1604789807 878199671.9 1258954887 938174480.3 984353025.9 1419923442 115941.8205 128074.3286 118723.0057 117939.9487 128051.5776 Uric acid2 204345.8213 37552739.92 7249214.919 8023287.039 38236768.2 43504578.15 50177087.63 48128714.5 57457424.12 53571473.77 52125390.42 45541657.6 55046942.53 51386239.73 58196610.1 55282781.93 64944912.91 54418029.51 54813703.21 72409719.35 61250151.23 65857646.06 60894146.9 51797077.86 62609453.51 11684417.85 11238080.69 61240204.98 65663112.21 58753144.15 65274783.36 59618438.35 63662979.13 64249958.25 63126716.2 58165752.77 65463664.76 56859109.25 63816694.32 64223994.05 58608049.21 68116419.45 67047590.47 58911131.65 59629156.83 45476230.92 65904019.56 68089289.72 14331300.07 13683764.06 65026778.05 71181265.6 48868096.52 62203895.78 69884809.19 63356276.19 63088501.1 50686690.21 58728964.06 60351019.75 56356416.84 58841378.88 62569219.19 58681794.78 65348097.87 63181924.68 64168076.99 65538243.88 64585713.45 55370880.74 68188645.25 15224968.56 14001684.89 50729977.38 69820583.53 72051127.25 66423573.53 66091001.71 56524753.91 62956991.33 61837959.32 66176774.34 62613585.2 68084046.63 63846106.4 70167652.53 61678838.61 70028569.63 71263874.61 68909156.83 73988512.08 61857412.96 61295738.87 17277712.65 16264753.47 181246.7577 196134.5319 16342161.74 15558995.51 65943714.9 67534250.03 70043926.45 72794453.88 66793505.9 57926667.6 61630854.57 67161104.49 66282608.82 64253096.14 71643717.8 56607007.76 69887652.98 66083401.12 64378338.87 73489450 19665736.06 16958174.07 60289467.64 70292591.03 69734088.12 69792313.54 62296358.26 65322659.96 62100480.81 72380728.86 65771722.97 68991092.7 75270186.67 66775849.3 69640602.87 68205097.31 61770954.27 19181867.5 18641438.74 69844630.47 69215892.22 73979374.43 77895416.41 76937557.93 75367288.62 79433411.65 66937857.22 75497465.56 75753566.55 71451278.69 67743691.24 78807750.24 62421378.56 66494560.54 18503565.55 19732304.93 69124549.92 62515421.56 73091326.31 70474157.18 67462986.6 65822960.31 72706688.95 66272675.05 74344472.8 79420390.2 77207956.08 76949154.96 74534829.01 73095203.92 60944625.05 70086148.21 65578745.76 21471054.62 21255240.32 68207372.4 180275.3642 190353.0681 196209.7931 188190.7089 194651.3222 Xanthine 212084.4403 10800593.23 10053909.39 10541498.51 50006168.56 161365981.4 13459561.25 142114872.6 19491978.54 19099922.23 21380848.9 39003849.72 20438824.13 35233054.34 30780207.67 22194335.1 20389670.3 33417819.91 16854486.64 38003734.24 20643025.52 19580998.15 26010753.22 19729675.45 21283028.39 11029890.92 12188261.16 30943092.75 18296097.32 13522965.46 25095089.95 20930853.3 30830980.28 38211879.68 48554800.22 42426450.14 40136020.61 31877037.35 19865632.74 27724215.54 45659406.56 23563933.8 36690609.06 35582166.42 15619625.91 46002561.46 17660168.82 16044677.47 11586567.89 11984303.38 30445303.86 23892971.26 36467649.22 28655708.43 26299980.17 47076590.66 42588669.01 31537617.43 22655498.81 22136221.51 27376092.34 23200518.4 41799883.86 59103368.38 25068564.99 62372472.13 24752502.56 16259387.72 24949645.42 57913396.72 92929742.44 12310467.79 14579400.12 24050723.14 26496656.72 37537725.99 45799631 27027916.57 21312362.77 49041712.03 51811251.02 23427619.95 19673742.19 111684377.6 29941575.57 18039260.44 18725731.2 34643229.88 27054387.77 26551389.55 51898442.94 120687849.2 19410913.62 14353929.39 15227299.95 483444.972 210491.9498 12379798.21 13581868.56 45976921 36104746.92 35109913.5 20447261.45 17169657.69 29578608.23 43683378.08 30046584.52 20288789.28 28831877.58 28930187.63 53420945.76 30742805.8 36072236.24 35768275.06 43039902.93 16202612.54 15147351.17 19601283.76 20458657.78 48781546.92 12172190.24 28738694.33 99667686.2 43562491.54 21677324.69 25669460.67 13537876.21 38866401.1 29289121.4 22803665.38 20106721.77 24735300.23 18178673.53 18318380.65 21865889.27 53575912.84 22486176.78 38867172.18 41362524.54 23781967.6 30221321.17 50558715.07 26137896.06 17258946.03 35704125.78 40321161.24 44066582.66 70709198.68 42689047.61 18420640.41 19428607.43 54975589.87 57175990.6 40894602.27 43406958.22 22693408.06 50760299.36 27244931.72 32083652.01 23412240.17 205599669.3 39286196 33679681.97 52269095.97 44032166.07 42001091.18 22102124.3 75493453.84 15233643.78 17040962.96 23557722.54 200312.1734 195602.7278 204423.126 194367.6762 222645.4511 Xestostreptin 150144.0597 1372126.116 948695.9918 1376134.909 1177622.261 222383.7147 230918.7143 3448584.469 330592.2522 352827.7037 282652.3986 257130.4515 265855.8359 282185.7069 261690.8289 281299.0126 2473969.885 9725219.02 234229.046 766783.124 288058.3277 532720.3397 397434.8428 319791.8117 610026.8885 979616.1652 1683941.112 257909.1285 252247.5582 261324.8907 395937.9899 2419258.973 7668644.288 280259.8644 631206.68 298841.778 265296.3079 2416534.717 575282.75 471151.9853 290840.8339 393406.2353 509449.3141 914724.5262 351939.0008 367661.0718 305198.8595 420055.9089 1069147.055 1410262.256 308611.3495 316184.3844 272674.2566 2557637.249 306847.64 2269748.107 346232.1871 360936.0877 292262.5918 370431.3852 382798.2014 277792.3067 357699.9015 354340.6299 1253970.414 327178.8294 307477.6158 588669.2875 295907.9018 310289.4066 874761.1026 391974.6071 1746443.172 305168.5335 221134.7401 2197539.419 301144.0271 1117987.073 306522.6444 1194494.749 1055817.147 326229.8963 1073449.926 295223.223 295252.5167 263565.037 308936.2304 2235010.103 292123.2187 350646.9092 326044.4324 1180636.463 269105.9699 839012.1725 1446234.952 181936.2158 177173.7109 396454.0158 1300288.016 338267.4905 218613.058 214188.5684 686529.7677 2044574.899 288089.2158 263515.692 325859.1015 3671218.572 254011.3303 757011.6526 296176.6521 941277.0909 300947.7268 240881.2742 210334.6033 1193290.512 1958933.851 6644694.164 2599458.598 409161.0496 312713.3468 310651.8533 677185.6588 303493.2144 1362767.289 229381.1497 279021.9721 390623.7085 717417.344 234000.1565 1861934.691 321716.5603 1169733.184 1720363.414 185539.8675 317074.2475 173254.6374 338674.4996 736035.9084 203112.541 187357.596 205936.1568 3114165.657 6635851.597 292097.612 1893674.122 670412.7297 366980.0912 718595.5686 1193979.787 1901050.779 337296.1835 289947.8904 244625.2384 1216188.17 172064.6383 543538.3387 222964.1543 722733.7234 293572.206 957633.7683 1019252.137 252130.1639 670167.3212 919098.6574 328718.4177 236805.2628 239783.2784 400444.9493 1743072.344 2104771.121 189072.0653 158918.032 169087.7083 151134.5754 166124.3641 YM-47515 151924.2916 6335151.061 5964888.037 7706449.822 4682605.71 7071920.682 5166822.051 11269866.18 3568396.129 5127381.103 9163134.436 8420540.075 7446501.548 9574028.362 10493836.27 5739480.382 6882688.617 40939406.65 4037461.981 8353614.481 12033732.45 6967338.091 6691627.799 9540668.746 8800806.22 6790675.392 8414382.827 9340611.045 6057122.718 7700322.223 8073274.868 8701019.889 11566794.81 7190620.156 6793818.465 6632496.091 6560294.632 5995565.649 8087142.494 12176592.69 8530053.285 9862081.236 5452860.841 10650256.81 4840275.155 13988639.11 15912962.85 4984351.162 7981970.668 8660220.967 6466679.633 4797910.912 3125900.42 7988057.323 7803040.423 14296788.22 12330772.22 9488632.45 8356073.039 10426407.05 12845259.43 10159541.47 12303256.17 8421116.499 5635676.015 9145558.111 7057912.395 12158769.53 10625544.93 6176755.117 10320309.5 7233454.899 10304986.07 9859739.958 5056418.413 7094161.269 9770810.402 7563406.875 6899229.599 10320005.85 8639550.167 8882731.204 7797162.344 5488420.1 5304484.829 9001183.719 6758784.15 9067956.349 7936161.46 6582481.352 6884038.595 9985227.052 6243813.771 8826439.821 9795032.041 198664.7885 131207.8704 7426434.65 8274277.335 7813673.954 8699952.914 4141778.335 16818919.93 7863596.335 5376746.785 10778532.53 6928394.486 7962002.162 8540626.05 10326643.25 10129130.97 16473866.28 6077223.965 7028446.304 6297655.621 10918328.49 10563856.67 6807584.481 11384624.12 10171117.77 17190525.63 8633770.987 12442761.62 8265074.396 8206320.878 9690627.914 6287050.605 17534675.57 8872611.324 7601474.703 11269030.28 9692160.138 10617581.27 11878020.84 12347913.29 7425218.332 9253788.546 7165634.467 11399531.93 16799165.04 10619659.55 14620501.64 12749165.42 11605760.44 8742895.21 6325284.723 6194363.831 8611533.896 9926954.153 11789817.51 13257373.39 19864870.11 10115044.29 9958949.368 11158824.87 9299910.847 6741919.408 21043826.02 12976536.79 10786640.23 10939861.81 18978539.13 8026508.268 9921322.836 8771763.366 9767517.131 13194061.8 7885417.405 13701142.58 14801269.25 9033787.173 203377.7865 159136.352 154861.0834 187605.5546 155051.4586 γ-L-glutamyl-L-leucine 93842.20756 2701394.329 1814964.661 1467635.097 2713095.417 3511392.644 1830049.949 3066000.024 1683960.235 2344679.446 3117362.114 2706676.844 3171137.548 4236298.616 2263076.137 3637157.779 6097474.732 3767543.228 2356394.295 4313973.864 2939185.036 1977590.68 2698632.682 4069265.78 2733149.018 1621442.083 1707056.688 2617758.696 2022389.007 4091971.574 6500797.535 3312502.227 3854074.337 3850656.443 5011767.943 3044743.417 3443440.603 3530816.266 2769675.414 3924141.98 3432861.783 1795574.162 3024084.879 4145240.206 2260142.251 5400601.799 2778781.256 2995612.357 1846844.794 1643291.765 2744322.782 3810996.935 5396802.765 3021898.231 3160577.855 5546101.205 8233310.15 6493789.28 2508433.997 4490186.392 3689931.719 3674022.75 3707258.797 2313547.242 2186659.993 3011949.079 3618971.373 5438199.37 3611137.06 5209247.793 3398962.93 2194397.273 2271394.467 2312171.683 2820411.602 2467326.799 4711012.456 3263494.898 3437718.533 3325513.749 2075799.775 2365192.145 3546312.184 3670363.356 4560807.748 2205619.543 2595435.495 3741703.66 2684226.306 3083425.072 4537678.156 4062256.988 2601036.86 2160458.952 2186488.079 106038.6481 105476.8263 1877058.684 1734166.209 4526052.614 2382756.918 5776424.715 4939184.217 3672487.423 3459335.062 2929485.137 2925575.468 2781729.64 3492984.882 3898219.559 3377044.487 4330152.803 2115904.711 3084554.194 5163858.85 2458310.508 1869173.261 7361907.317 2990539.513 3589433.147 4031294.849 4433668.523 3429974.625 2448178.739 8070673.774 2752662.749 3095705.224 3412478.791 4188033.078 3884186.797 3297669.794 4038163.924 2599678.724 2340622.529 4323471.574 5867383.022 5095201.831 5264647.065 3317554.278 4421590.234 3551485.74 4895262.605 6365112.216 5044907.865 5898442.838 2750469.552 6210688.587 7036770.096 4344656.135 1464685.642 2803613.458 7278021.481 5983489.613 4807831.925 4544644.821 3918606.854 2997820.106 7749446.544 5725407.608 3422985.118 3589809.021 4178914.875 3280036.119 4851333.641 3920013.075 2470455.619 2060241.55 5271506.345 2804585.585 2580017.511 6951967.321 102567.0146 88669.49571 98452.98362 96072.95329 108362.9382 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet InChiKey_14 Formula Mass Neutral mass m/z RT_sec Adduct MSI_level MS1_AM_std MS1_AM_db MS1_RT_std MS2_std MS2_db_exp MS2_db_theo "Triisopropanolamine" - SLINHMUFWFWBMU C9 H21 N O3 191.15209 192.15936 233.88 [M+H]+1 4 0 1 0 0 0 0 (2E,4E)-7-methylocta-2,4-dienoic acid amide - CMXDNZFOOPLNCF C9 H15 N O 153.11535 154.12263 223.14 [M+H]+1 4 0 1 0 0 0 0 (2R_4S)-2_4-Diaminopentanoate - - C5 H12 N2 O2 132.08987 133.09714 384.66 [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 147.0895 148.09678 229.2 [M+H]+1 2b 0 1 0 0 0 1 (3S)-3_6-Diaminohexanoate - - C6 H14 N2 O2 146.10549 147.11274 385.74 [M+H]+1 2b 0 1 0 0 0 1 (R)-3-Hydroxybutanoate 3R-Hydroxybutyric acid WHBMMWSBFZVSSR C4 H8 O3 104.04735 105.0544 80.58 [M+H]+1 2b 0 1 0 0 0 1 (R)-Norcoclaurine - WZRCQWQRFZITDX C16 H17 N O3 271.1209 272.12818 68.64 [M+H]+1 4 0 1 0 0 0 0 (R)(-)-Allantoin (R)-Allantoin POJWUDADGALRAB C4 H6 N4 O3 158.04398 159.05126 216.84 [M+H]+1 2b 0 1 0 0 0 1 (S)-2-Acetolactate (S)-2-Acetolactate NMDWGEGFJUBKLB C5 H8 O4 132.0422 150.07605 289.32 [M+NH4]+1 2b 0 1 0 0 0 1 (S)-4-Amino-5-oxopentanoate - MPUUQNGXJSEWTF C5 H9 N O3 131.05828 132.06555 270.6 [M+H]+1 2b 0 1 0 0 0 1 (S)-Carnitine1 Carnitine PHIQHXFUZVPYII C7 H15 N O3 161.10502 162.11229 262.38 [M+H]+1 2b 0 1 0 0 0 1 (S)-Carnitine2 Carnitine PHIQHXFUZVPYII C7 H15 N O3 161.10511 162.11239 288.18 [M+H]+1 2b 0 1 0 0 0 1 (Z)-N-16-hydroxyhexadec-9-enoyl-L-alanine methyl ester - XWFACHYZFVZDPE C20 H37 N O4 355.27222 356.2795 68.1 [M+H]+1 4 0 1 0 0 0 0 [FA(16:2)]N-hexadecyl-ethanolamine Palmitoyl-EA HXYVTAGFYLMHSO C18 H37 N O2 299.28243 300.28967 203.4 [M+H]+1 4 0 1 0 0 0 0 [FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid - - C6 H11 N O3 145.07387 146.08115 243.06 [M+H]+1 4 0 1 0 0 0 0 [Similar to: Glycyl-L-leucine; ΔMass: -57.1202 Da] Dimethyl terephthalate WOZVHXUHUFLZGK C4 H6 N P S 130.99593 132.0032 317.7 [M+H]+1 2a 0 1 0 0 1 0 1_8-Diazacyclotetradecane-2_9-dione 1,8-Diazacyclotetradecane-2,9-dione HERSSAVMHCMYSQ C12 H22 N2 O2 226.16811 227.17538 236.76 [M+H]+1 4 0 1 0 0 0 0 1-Aminocyclohexanecarboxylic Acid1 1-Azaniumylcyclohexane-1-carboxylate WOXWUZCRWJWTRT C7 H13 N O2 143.09455 144.10183 242.16 [M+H]+1 2b 0 1 0 0 0 1 1-Cyclohexyl-2-azetidinecarboxylic acid - BFUBLGGCORUBBM C10 H17 N O2 183.1259 184.13318 229.56 [M+H]+1 2b 0 1 0 0 0 1 1-Deoxy-D-glucitol 1-Deoxy-D-glucitol SKCKOFZKJLZSFA C6 H14 O5 166.08407 167.09135 222.66 [M+H]+1 2b 0 1 0 0 0 1 1-Methylxanthine 1-Methylxanthine MVOYJPOZRLFTCP C6 H6 N4 O2 166.04908 167.05635 93.84 [M+H]+1 2b 0 1 0 0 0 1 1-Nitrosopiperidine - UWSDONTXWQOZFN C5 H10 N2 O 114.07933 115.08661 384.66 [M+H]+1 2b 0 1 0 0 0 1 1-Palmitoylglycerophosphocholine LPC 16:0/0:0 ASWBNKHCZGQVJV C24 H50 N O7 P 495.33222 496.33949 208.38 [M+H]+1 4 0 1 0 0 0 0 1-Pyrroline-4-hydroxy-2-carboxylate1 1-Pyrroline-4-hydroxy-2-carboxylate AOMLMYXPXUTBQH C5 H7 N O3 129.04255 130.04989 280.38 [M+H]+1 2b 0 1 0 0 0 1 1-Pyrroline-4-hydroxy-2-carboxylate2 1-Pyrroline-4-hydroxy-2-carboxylate AOMLMYXPXUTBQH C5 H7 N O3 129.04265 130.04994 80.22 [M+H]+1 2b 0 1 0 0 0 1 1(2H)-Isoquinolinone - VDBNYAPERZTOOF C9 H7 N O 145.05276 146.06004 231.42 [M+H]+1 4 0 1 0 0 0 0 13-keto-9Z-octadecenoic acid - LDYZTLZOFONHNA C18 H32 O3 296.23522 297.24251 64.5 [M+H]+1 2b 0 1 0 0 0 1 13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetate - LWTBVVYDHCHHOE C27 H42 O2 398.31852 399.32583 81.78 [M+H]+1 4 0 1 0 0 0 0 1MVR - NCCHARWOCKOHIH C8 H9 N O 135.06843 136.07571 227.34 [M+H]+1 2b 0 1 0 0 0 1 2_5-Dihydroxypyridine - CHGPEDOMXOLANF C5 H5 N O2 111.03204 112.03923 287.22 [M+H]+1 2b 0 1 0 0 0 1 2_6-Diaminoheptanedioic acid - GMKMEZVLHJARHF C7 H14 N2 O4 190.09519 191.10246 280.98 [M+H]+1 2b 0 1 0 0 0 1 2-((2-hydroxyethyl)amino)benzoic acid1 - KULNOANNPOGHQK C9 H11 N O3 181.07383 182.0811 245.1 [M+H]+1 2b 0 1 0 0 0 1 2-Acetamidophenol 4-Nitroacetophenone ADVGKWPZRIDURE C8 H9 N O2 151.06334 152.0706 52.02 [M+H]+1 2b 0 1 0 0 0 1 2-Amino-4-oxopentanoicacid - MPUUQNGXJSEWTF C5 H9 N O3 131.05828 132.06556 81.42 [M+H]+1 2b 0 1 0 0 0 1 2-Aminoacetophenone;O-Acetylaniline - HEQOJEGTZCTHCF C8 H9 N O 135.06845 136.07573 245.64 [M+H]+1 2b 0 1 0 0 0 1 2-Diethylaminoethyl methacrylate - SJIXRGNQPBQWMK C10 H19 N O2 185.14157 186.14885 227.94 [M+H]+1 2b 0 1 0 0 0 1 2-Ethylmalate - YVYGHRNLPUMVBU C6 H10 O5 162.05277 163.06002 240.66 [M+H]+1 2b 0 1 0 0 0 1 2-Hydroxyphenethylamine 2-Hydroxyphenethylamine ULSIYEODSMZIPX C8 H11 N O 137.08411 138.09139 216.9 [M+H]+1 2b 0 1 0 0 0 1 2-hydroxyphenylaceticacid 2-Hydroxyphenylacetic acid CCVYRRGZDBSHFU C8 H8 O3 152.04727 170.08111 218.16 [M+NH4]+1 4 0 1 0 0 0 0 2-Isopropylmaleate Isopropylmaleate NJMGRJLQRLFQQX C7 H10 O4 158.05787 159.06514 222.12 [M+H]+1 2b 0 1 0 0 0 1 2-Methyl-1,4-benzoquinone - VTWDKFNVVLAELH C7 H6 O2 122.03656 105.03327 74.1 [M+H-H2O]+1 2b 0 1 0 0 0 1 2-methyl-4-hydroxypyridine - KZDSIZCJICMHJW C6 H7 N O 109.05271 110.05999 140.04 [M+H]+1 2b 0 1 0 0 0 1 2-Methyl-6-phytylquinol - GTWCNYRFOZKWTL C27 H46 O2 402.34982 403.35713 64.44 [M+H]+1 4 0 1 0 0 0 0 2-methylhistamine - XDKYTXBAVJELDQ C6 H11 N3 125.0953 126.10258 373.92 [M+H]+1 2b 0 1 0 0 0 1 2-Methylnicotinamide - JRYYVMDEUJQWRO C7 H8 N2 O 136.06372 137.071 280.02 [M+H]+1 2b 0 1 0 0 0 1 2-Methylserine 2-Methylserine CDUUKBXTEOFITR C4 H9 N O3 119.05818 120.06546 280.44 [M+H]+1 2b 0 1 0 0 0 1 2-Nonene-4,6,8-Triyne-1-Ol - YHYFPSUUJPWSGM C9 H6 O 130.04185 131.04913 222.54 [M+H]+1 2b 0 1 0 0 0 1 2-oxo-4-methylthio-butanoic acid 2-Oxo-4-methylthiobutanoic acid MVOYJPOZRLFTCP C5 H8 O3 S 148.01937 166.0532 282.96 [M+NH4]+1 2b 0 1 0 0 0 1 2-Oxooctadecanoicacid 2-Oxo-octadecanoic acid JUCAMRNDACLKGY C18 H34 O3 298.25089 299.25808 64.62 [M+H]+1 4 0 1 0 0 0 0 2,3-dihydroxy-N-methoxy-6-propylbenzamide - CWWXVYYTUQBMKJ C11 H15 N O4 225.10021 243.13403 78.48 [M+NH4]+1 4 0 1 0 0 0 0 2,4,6-Octatriyn-1-ol - CDDRQTICNABTAT C8 H6 O 118.04187 119.04903 246.24 [M+H]+1 2b 0 1 0 0 0 1 2,5-Dimethyl-3-hexyne-2,5-diol - IHJUECRFYCQBMW C8 H14 O2 142.09924 143.1067 237.3 [M+H]+1 4 0 1 0 0 0 0 20-beta-Dihydroprednisolone - LCOVYWIXMAJCDS C21 H30 O5 362.20928 363.21655 70.92 [M+H]+1 4 0 1 0 0 0 0 21-Deoxycortisol 21-Deoxycortisol LCZBQMKVFQNSJR C21 H30 O4 346.21426 347.22153 72.3 [M+H]+1 2b 0 1 0 0 0 1 26:6(8Z,11Z,14Z,17Z,20Z,23Z) - GLEIIPZRQAMQLG C26 H40 O2 384.30284 385.31011 82.14 [M+H]+1 4 0 1 0 0 0 0 2S-amino-3-oxo-butanoic acid L-2-Amino-3-oxobutanoic acid SAUCHDKDCUROAO C4 H7 N O3 117.04256 118.04984 90.78 [M+H]+1 2b 0 1 0 0 0 1 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid WMCQWXZMVIETAO C12 H16 O5 240.0998 241.10709 67.8 [M+H]+1 2b 0 1 0 0 0 1 3-Dehydrocarnitine1 3-Dehydrocarnitine YNOWULSFLVIUDH C7 H13 N O3 159.08948 160.09676 243 [M+H]+1 2b 0 1 0 0 0 1 3-Dehydrocarnitine2 3-Dehydrocarnitine YNOWULSFLVIUDH C7 H13 N O3 159.08953 160.09681 115.38 [M+H]+1 2b 0 1 0 0 0 1 3-Dehydroxycarnitine1 3-Dehydroxycarnitine JHPNVNIEXXLNTR C7 H15 N O2 145.11019 146.11747 242.16 [M+H]+1 4 0 1 0 0 0 0 3-Dehydroxycarnitine2 3-Dehydroxycarnitine JHPNVNIEXXLNTR C7 H15 N O2 145.11031 146.11758 236.04 [M+H]+1 4 0 1 0 0 0 0 3-Dehydroxycarnitine3 3-Dehydroxycarnitine JHPNVNIEXXLNTR C7 H15 N O2 145.11029 146.11756 215.94 [M+H]+1 4 0 1 0 0 0 0 3-Deoxyvitamin D3 3-Deoxyvitamin D3 FXKMDILIEQILCA C27 H44 368.34437 369.35164 65.58 [M+H]+1 2b 0 1 0 0 0 1 3-Hydroxy-2-methyl-4-pyrone Maltol XPCTZQVDEJYUGT C6 H6 O3 126.03169 127.03896 240.66 [M+H]+1 2b 0 1 0 0 0 1 3-Hydroxy-2-methylpyridine-5-carboxylate - NYEFWJFPBFRRKU C7 H7 N O3 153.04252 154.04979 104.58 [M+H]+1 2b 0 1 0 0 0 1 3-hydroxy-2-N-iso-butyryl-anthranilamide - QLFWPFJWFDNGQP C11 H14 N2 O3 222.10039 223.10766 233.64 [M+H]+1 4 0 1 0 0 0 0 3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamide - FCGLCOKPOTZYII C12 H23 N O4 245.16272 246.16999 211.26 [M+H]+1 2b 0 1 0 0 0 1 3-Hydroxycyclohexanone - TWEVQGUWCLBRMJ C6 H10 O2 114.06807 156.1019 237.3 [M+ACN+H]+1 4 0 1 0 0 0 0 3-Indoleacetic Acid Indoleacetic acid SEOVTRFCIGRIMH C10 H9 N O2 175.06334 176.07061 71.46 [M+H]+1 2b 0 1 0 0 0 1 3-Methoxy-1-methyl-4(1H)-quinolone - LJFGKFSVGOVCKM C11 H11 N O2 189.07892 190.0862 69.48 [M+H]+1 2a 0 1 0 0 1 0 3-Methyl-quinolin-2-ol - POYSUXIHCXBJPN C10 H9 N O 159.06837 160.07564 231.48 [M+H]+1 2b 0 1 0 0 0 1 3-Oxo-5beta-cholanate Dehydrolithocholic acid KIQFUORWRVZTHT C24 H38 O3 374.28209 375.28933 68.34 [M+H]+1 2b 0 1 0 0 0 1 3-Phenylpropionitrile - ACRWYXSKEHUQDB C9 H9 N 131.07359 132.08087 231.66 [M+H]+1 2b 0 1 0 0 0 1 3-Ureidoisobutyrate Ureidoisobutyric acid PHENTZNALBMCQD C5 H10 N2 O3 146.06902 147.07627 287.1 [M+H]+1 4 0 1 0 0 0 0 3-Vinylaniline1 - - C8 H9 N 119.07346 120.08073 222.54 [M+H]+1 2a 0 1 0 0 1 0 3-Vinylaniline2 - IFSSSYDVRQSDSG C8 H9 N 119.0735 120.08077 233.64 [M+H]+1 2a 0 1 0 0 1 0 3,5-cholestadien-7-one 3,5-cholestadien-7-one TTXJJFWWNDJDNR C27 H42 O 382.3235 383.33077 79.26 [M+H]+1 4 0 1 0 0 0 0 3,6,9,12,15,18-Hexaoxaicosane-1,20-diol Heptaethylene glycol XPJRQAIZZQMSCM C14 H30 O8 326.19403 327.20132 83.28 [M+H]+1 2a 0 1 0 0 1 0 4-Acetamidobutanoate1 4-Acetamidobutanoic acid UZTFMUBKZQVKLK C6 H11 N O3 145.07391 146.08118 124.38 [M+H]+1 4 0 1 0 0 0 0 4-Acetamidobutanoate2 4-Acetamidobutanoic acid UZTFMUBKZQVKLK C6 H11 N O3 145.07391 146.08117 81.6 [M+H]+1 4 0 1 0 0 0 0 4-amino-4-cyano-butanoic acid 4-Amino-4-cyano-butanoic acid DXWQLTOXWVWMOH C5 H8 N2 O2 128.05857 129.06584 283.98 [M+H]+1 2b 0 1 0 0 0 1 4-Aminophenol1 4-Aminophenol PLIKAWJENQZMHA C6 H7 N O 109.05278 110.06005 236.34 [M+H]+1 2b 0 1 0 0 0 1 4-Aminophenol2 4-Aminophenol PLIKAWJENQZMHA C6 H7 N O 109.05277 110.06004 78.3 [M+H]+1 2b 0 1 0 0 0 1 4-hydroxy-3-(3-methylbut-2-enyl)benzamide - QNVCSEHOSAXKCK C12 H15 N O2 205.11019 206.11747 223.2 [M+H]+1 4 0 1 0 0 0 0 4-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde RGHHSNMVTDWUBI C7 H6 O2 122.03672 123.04399 245.76 [M+H]+1 2b 0 1 0 0 0 1 4-methoxy-3H-isobenzofuran-1-one - HTONKCSNONAUAZ C9 H8 O3 164.04729 165.05459 246.3 [M+H]+1 2b 0 1 0 0 0 1 4-Methylene-L-glutamine 4-Methylene-glutamine CEVQXWMPODOBRM C6 H10 N2 O3 158.0691 159.07643 296.52 [M+H]+1 2a 0 1 0 0 1 0 4-Nitroacetophenone - YQYGPGKTNQNXMH C8 H7 N O3 165.04262 166.0499 73.98 [M+H]+1 4 0 1 0 0 0 0 4-Nitrosomorpholine - ZKXDGKXYMTYWTB C4 H8 N2 O2 116.05859 117.06587 293.58 [M+H]+1 4 0 1 0 0 0 0 4,8,12,15,19,21-tetracosahexaenoic acid 4,8,12,15,19,21-Tetracosahexaenoic acid VIEVDWQLJOPJTP C24 H36 O2 356.27157 357.27884 68.4 [M+H]+1 4 0 1 0 0 0 0 5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinoline -  IYHQVDIUZANYNW C10 H9 N O3 191.05813 209.09195 227.28 [M+NH4]+1 4 0 1 0 0 0 0 5-Acetamidovalerate 5-Acetamidovaleric acid TZZSWAXSIGWXOS C7 H13 N O3 159.08953 160.09681 80.28 [M+H]+1 2b 0 1 0 0 0 1 5-Hydroxy-DL-tryptophan 5-Hydroxy-DL-tryptophan LDCYZAJDBXYCGN C11 H12 N2 O3 220.08472 221.09204 234.66 [M+H]+1 4 0 1 0 0 0 0 5-Methoxyindoleacetate 5-Methoxyindoleacetic acid COCNDHOPIHDTHK C11 H11 N O3 205.0739 206.08117 77.04 [M+H]+1 2b 0 1 0 0 0 1 5-methyl-1H-quinazoline-2,4-dione - OVLVVBLYTQYCCS C9 H8 N2 O2 176.05855 177.06582 104.7 [M+H]+1 2b 0 1 0 0 0 1 5-Methylthio-D-ribose 5-Methylthioribose OLVVOVIFTBSBBH C6 H12 O4 S 180.04554 181.05281 144.12 [M+H]+1 2b 0 1 0 0 0 1 5-Nitro-o-toluidine1 - DSBIJCMXAIKKKI C7 H8 N2 O2 152.05855 153.06582 95.4 [M+H]+1 2b 0 1 0 0 0 1 5-Nitro-o-toluidine2 - DSBIJCMXAIKKKI C7 H8 N2 O2 152.05856 153.06584 104.64 [M+H]+1 2a 0 1 0 0 1 0 5alpha-androst-16-en-3-one - HFVMLYAGWXSTQI C19 H28 O 272.21393 255.21064 48 [M+H-H2O]+1 4 0 1 0 0 0 0 5alpha-cholesta-8_24-dien-3beta-ol - CGSJXLIKVBJVRY C27 H44 O 384.3392 385.34646 65.64 [M+H]+1 2b 0 1 0 0 0 1 5beta-Cyprinolsulfate 5beta-Cyprinol sulfate KAOLEMQCYWHOJQ C27 H48 O8 S 532.3063 533.31361 81.54 [M+H]+1 4 0 1 0 0 0 0 6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid - WOJKKJKETHYEAC C10 H13 N O4 211.08437 212.09165 238.02 [M+H]+1 2b 0 1 0 0 0 1 6-Hydroxypseudooxynicotine1 6-Hydroxypseudooxynicotine UMLOUOBDBGOHHR C10 H14 N2 O2 194.10556 195.11284 81.78 [M+H]+1 4 0 1 0 0 0 0 6-Hydroxypseudooxynicotine2 6-Hydroxypseudooxynicotine UMLOUOBDBGOHHR C10 H14 N2 O2 194.10541 195.11261 227.94 [M+H]+1 4 0 1 0 0 0 0 6-Methylbenzoxazole1 - SZWNDAUMBWLYOQ C8 H7 N O 133.05278 134.06005 80.04 [M+H]+1 2a 0 1 0 0 1 0 6-Methylbenzoxazole2 - SZWNDAUMBWLYOQ C8 H7 N O 133.05282 134.06009 74.34 [M+H]+1 2a 0 1 0 0 1 0 7alpha-Hydroxycholest-4-en-3-one 7alpha-Hydroxycholest-4-en-3-one IOIZWEJGGCZDOL C27 H44 O2 400.33411 401.34141 65.46 [M+H]+1 4 0 1 0 0 0 0 8-Amino-7-oxononanoate 8-Amino-7-oxononanoate GUAHPAJOXVYFON C9 H17 N O3 187.12074 188.12802 240.54 [M+H]+1 4 0 1 0 0 0 0 9-amino-nonanoic acid 9-Aminononanoic acid VWPQCOZMXULHDM C9 H19 N O2 173.14156 174.14879 72.72 [M+H]+1 4 0 1 0 0 0 0 9,10,12,13-tetrachloro-octadecanoic acid - FRSRMUYUIAXUAX C18 H32 Cl4 O2 420.11543 421.1227 338.7 [M+H]+1 4 0 1 0 0 0 0 Acetyl-L-carnitine CAR 2:0 RDHQFKQIGNGIED C9 H17 N O4 203.11558 204.12286 229.14 [M+H]+1 4 0 1 0 0 0 0 Actinozine A - NNPWPZGBFIMYHW C11 H18 N2 O4 242.12674 243.13402 78.24 [M+H]+1 2b 0 1 0 0 0 1 Akodionine - LGBLJRRKJGMNEN C10 H16 N2 O2 196.12118 197.12845 77.1 [M+H]+1 4 0 1 0 0 0 0 Allopurinol Allopurinol OFCNXPDARWKPPY C5 H4 N4 O 136.03851 137.04579 140.76 [M+H]+1 4 0 1 0 0 0 0 allylcysteine S-Allylcysteine ZFAHNWWNDFHPOH C6 H11 N O2 S 161.05105 162.05832 217.62 [M+H]+1 2b 0 1 0 0 0 1 Asperophiobolin A - IEOHVPIKTTWVQR C26 H37 N O3 411.2773 412.28457 77.88 [M+H]+1 4 0 1 0 0 0 0 Asperophiobolin D - VQIAIGUFXCMWQU C26 H39 N O3 413.29299 414.30026 71.4 [M+H]+1 2b 0 1 0 0 0 1 Aspewentin A - XEPZBLVFVODCNB C19 H26 O 270.1983 271.2056 47.34 [M+H]+1 4 0 1 0 0 0 0 Atenolol Atenolol METKIMKYRPQLGS C14 H22 N2 O3 266.16304 267.17032 230.64 [M+H]+1 4 0 1 0 0 0 0 Bendiocarb Bendiocarb XEGGRYVFLWGFHI C11 H13 N O4 223.08469 265.11852 80.88 [M+ACN+H]+1 2b 0 1 0 0 0 1 Benzaldehyde Benzaldehyde HUMNYLRZRPPJDN C7 H6 O 106.04165 107.04884 222.54 [M+H]+1 2a 0 1 0 0 1 0 Benzocaine Benzocaine BLFLLBZGZJTVJG C9 H11 N O2 165.07895 166.08623 231.72 [M+H]+1 4 0 1 0 0 0 0 Betaine1 Betaine KWIUHFFTVRNATP C5 H11 N O2 117.07883 118.0861 246.18 [M+H]+1 2a 0 1 0 0 1 0 Betaine2 Betaine KWIUHFFTVRNATP C5 H11 N O2 117.07883 118.08611 239.04 [M+H]+1 2a 0 1 0 0 1 0 Betanechol - - C7 H16 N2 O2 160.12116 161.12844 381.78 [M+H]+1 2b 0 1 0 0 0 1 Bilirubin Bilirubin BPYKTIZUTYGOLE C33 H36 N4 O6 584.26351 585.27078 65.04 [M+H]+1 2a 0 1 0 0 1 0 Bis(2-Ethylhexyl) Phthalate Bis(2-ethylhexyl)phthalate BJQHLKABXJIVAM C24 H38 O4 390.27702 432.31084 51 [M+ACN+H]+1 4 0 1 0 0 0 0 Bohemamine F - ROJUVFLOAXACGZ C14 H18 N2 O2 246.13686 247.14413 208.98 [M+H]+1 2a 0 1 0 0 1 0 Brasilamide I - IPIMCZYGNRWKDI C15 H21 N O5 295.14191 296.14919 220.02 [M+H]+1 4 0 1 0 0 0 0 Brevioxime - CAWNVSRVNRWMNU C15 H22 N2 O3 278.16306 279.17034 211.74 [M+H]+1 2a 0 1 0 0 1 0 Bufexamac Bufexamac MXJWRABVEGLYDG C12 H17 N O3 223.12078 224.12805 223.68 [M+H]+1 2b 0 1 0 0 0 1 Butyryl-L-carnitine CAR 4:0 QWYFHHGCZUCMBN C11 H21 N O4 231.14706 232.15433 216.12 [M+H]+1 2b 0 1 0 0 0 1 Caffeine Caffeine RYYVLZVUVIJVGH C8 H10 N4 O2 194.08036 195.08764 77.1 [M+H]+1 4 0 1 0 0 0 0 Capryloylglycine Capryloylglycine SAVLIIGUQOSOEP C10 H19 N O3 201.13643 202.14371 235.5 [M+H]+1 2b 0 1 0 0 0 1 Caryophyllose - COAMNWKAJPDNHU C12 H24 O8 296.1471 297.15443 80.1 [M+H]+1 2b 0 1 0 0 0 1 Cellocidin - JBTGHKUTYAMZEZ C4 H4 N2 O2 112.02722 113.0345 130.02 [M+H]+1 2b 0 1 0 0 0 1 Cer(t18:1(6OH)/25:0(2OH)) - - C43 H85 N O5 695.64282 696.65009 65.52 [M+H]+1 4 0 1 0 0 0 0 Chenodeoxyglycocholate Glycochenodeoxycholic acid GHCZAUBVMUEKKP C26 H43 N O5 449.31411 450.32137 71.34 [M+H]+1 2b 0 1 0 0 0 1 Cholacalcioic acid - JJEWWCWHZFDCDG C24 H36 O3 372.26639 373.27372 71.4 [M+H]+1 2b 0 1 0 0 0 1 Cholinephosphate Choline phosphate YHHSONZFOIEMCP C5 H14 N O4 P 183.06579 184.07307 205.92 [M+H]+1 2b 0 1 0 0 0 1 Cladosin L - OTEIGXWPIHHYHP C13 H22 N2 O4 270.15802 271.1653 75.12 [M+H]+1 4 0 1 0 0 0 0 Commendamide - MZUHHHSFDVDBCZ C18 H35 N O4 329.25651 330.26379 198.36 [M+H]+1 4 0 1 0 0 0 0 Coniferonic acid - DNOBNGNBPVOMLW C18 H28 O2 276.20903 277.21631 65.52 [M+H]+1 4 0 1 0 0 0 0 Coniferylalcohol Coniferyl alcohol JMFRWRFFLBVWSI C10 H12 O3 180.07862 181.0859 67.8 [M+H]+1 2b 0 1 0 0 0 1 Creatine1 Creatine CVSVTCORWBXHQV C4 H9 N3 O2 131.06945 132.07673 263.34 [M+H]+1 2b 0 1 0 0 0 1 Creatine2 Creatine CVSVTCORWBXHQV C4 H9 N3 O2 131.06947 132.07674 284.16 [M+H]+1 2b 0 1 0 0 0 1 Creatinine Creatinine DDRJAANPRJIHGJ C4 H7 N3 O 113.05885 114.06613 269.58 [M+H]+1 2b 0 1 0 0 0 1 Curvularide B - KQYIQWJQJFWGMP C18 H33 N O4 327.24084 328.24811 199.56 [M+H]+1 4 0 1 0 0 0 0 Cyclo-(2-hydroxy-Pro-Gly) - DUAAASIVBNCCOM C7 H10 N2 O3 170.06905 171.07632 287.04 [M+H]+1 2b 0 1 0 0 0 1 Cyclo-(N-MeVal-N-MeAla) - PTAASJZWKAJSGL C10 H18 N2 O2 198.13679 199.14406 71.46 [M+H]+1 2b 0 1 0 0 0 1 Cyclo(D)-Pro-(D)-Leu - SZJNCZMRZAUNQT C11 H18 N2 O2 210.13682 211.14408 75.12 [M+H]+1 4 0 1 0 0 0 0 Cymoxanil - XERJKGMBORTKEO C7 H10 N4 O3 198.0752 199.08247 156.6 [M+H]+1 2b 0 1 0 0 0 1 D-Arginine D-Arginine ODKSFYDXXFIFQN C6 H14 N4 O2 174.11162 175.11889 385.26 [M+H]+1 2b 0 1 0 0 0 1 D-Asparagine D-Asparagine DCXYFEDJOCDNAF C4 H8 N2 O3 132.05346 133.06074 290.46 [M+H]+1 2b 0 1 0 0 0 1 D-Aspartate D-Aspartic acid CKLJMWTZIZZHCS C4 H7 N O4 133.03748 134.04476 282.78 [M+H]+1 2b 0 1 0 0 0 1 D-Glutamate D-Glutamic acid WHUUTDBJXJRKMK C5 H9 N O4 147.05311 148.06038 281.04 [M+H]+1 2b 0 1 0 0 0 1 D-Ornithine D-Ornithine AHLPHDHHMVZTML C5 H12 N2 O2 132.08988 133.09714 296.28 [M+H]+1 2b 0 1 0 0 0 1 D-Pipecolicacid1 D-Pipecolic acid HXEACLLIILLPRG C6 H11 N O2 129.07895 130.08632 385.74 [M+H]+1 2b 0 1 0 0 0 1 D-Pipecolicacid2 D-Pipecolic acid - C6 H11 N O2 129.079 130.08628 241.56 [M+H]+1 2b 0 1 0 0 0 1 D-Pipecolicacid3 D-Pipecolic acid HXEACLLIILLPRG C6 H11 N O2 129.07901 130.08629 231.6 [M+H]+1 2b 0 1 0 0 0 1 Decanoylcarnitine CAR 10:0 LZOSYCMHQXPBFU C17 H33 N O4 315.24089 316.24817 199.74 [M+H]+1 4 0 1 0 0 0 0 Dehydrofusaric acid - CHNSJWFYRAXVMQ C10 H11 N O2 177.07891 178.08619 235.92 [M+H]+1 2b 0 1 0 0 0 1 Deoxyguanidinoproclavaminic acid Deoxyamidinoproclavaminic acid UYADDEKIZFRINK C9 H16 N4 O3 228.12226 229.12954 366.18 [M+H]+1 4 0 1 0 0 0 0 Dethiobiotin Dethiobiotin AUTOLBMXDDTRRT C10 H18 N2 O3 214.13168 215.13896 238.2 [M+H]+1 4 0 1 0 0 0 0 Diacetone acrylamide - OMNKZBIFPJNNIO C9 H15 N O2 169.11019 170.11747 237.48 [M+H]+1 4 0 1 0 0 0 0 Dibutyl sebacate - PYGXAGIECVVIOZ C18 H34 O4 314.24574 315.25299 64.44 [M+H]+1 4 0 1 0 0 0 0 Diethofencarb Diethofencarb LNJNFVJKDJYTEU C14 H21 N O4 267.14709 268.15436 218.46 [M+H]+1 4 0 1 0 0 0 0 Dihydrothymine1 Dihydrothymine NBAKTGXDIBVZOO C5 H8 N2 O2 128.05855 129.06582 262.98 [M+H]+1 2b 0 1 0 0 0 1 Dihydrothymine2 Dihydrothymine NBAKTGXDIBVZOO C5 H8 N2 O2 128.05858 129.06585 81.18 [M+H]+1 4 0 1 0 0 0 0 Dinotefuran-metabolite-UF - - C7 H14 N2 O2 158.10545 159.11273 239.04 [M+H]+1 2b 0 1 0 0 0 1 Divinyl sulfone - AFOSIXZFDONLBT C4 H6 O2 S 118.00885 119.0161 240.9 [M+H]+1 2b 0 1 0 0 0 1 Dodecenoylcarnitine CAR 12:1 VFYGOZNDDVMNNT C19 H35 N O4 341.25655 342.26383 197.94 [M+H]+1 4 0 1 0 0 0 0 Ecgonine1 Ecgonine PHMBVCPLDPDESM C9 H15 N O3 185.1051 186.11238 234.12 [M+H]+1 2b 0 1 0 0 0 1 Ecgonine2 Ecgonine PHMBVCPLDPDESM C9 H15 N O3 185.10511 186.11235 217.32 [M+H]+1 2b 0 1 0 0 0 1 Echinenone/(Myxoxanthin) Echinenone/(Myxoxanthin) BUHPPQFOKKRDPX C40 H54 O 550.41768 551.42496 64.62 [M+H]+1 4 0 1 0 0 0 0 Elaiomycin L - - C12 H24 N2 O4 260.17362 261.1809 244.26 [M+H]+1 4 0 1 0 0 0 0 ELV-N34 - RELOZBYGQUUUEG C34 H56 O4 528.41788 529.42518 64.62 [M+H]+1 4 0 1 0 0 0 0 Ent-cycloechinulin - - C20 H21 N3 O3 351.15819 352.16547 217.02 [M+H]+1 4 0 1 0 0 0 0 Ethionine L-Ethionine GGLZPLKKBSSKCX C6 H13 N O2 S 163.06664 164.07389 235.02 [M+H]+1 2b 0 1 0 0 0 1 Ethyl terephthalate - TXYMWKFYHOTGMH C12 H14 O4 222.08923 223.09651 67.8 [M+H]+1 2b 0 1 0 0 0 1 Ethyl Tumonoate A - ATSNGULFDLCUIL C21 H37 N O4 367.2722 368.27948 196.62 [M+H]+1 4 0 1 0 0 0 0 FAHFA (18:2/15-O-18:2) - - C36 H62 O4 558.46485 559.47214 64.5 [M+H]+1 4 0 1 0 0 0 0 Fenuron 1,1-dimethyl-3-phenyl-urea XXOYNJXVWVNOOJ C9 H12 N2 O 164.09488 197.12837 77.34 [M+H+MeOH]+1 4 0 1 0 0 0 0 Gabapentin Gabapentin UGJMXCAKCUNAIE C9 H17 N O2 171.12582 172.13308 223.38 [M+H]+1 4 0 1 0 0 0 0 Gaburedin B - GOCSGRXGNYPQKL C11 H20 N2 O5 260.13727 261.14455 236.76 [M+H]+1 4 0 1 0 0 0 0 Gly-Pro(Glycylproline) Pro-Gly RNKSNIBMTUYWSH C7 H12 N2 O3 172.08481 173.0921 309.84 [M+H]+1 2b 0 1 0 0 0 1 hexahydrophthalic anhydride - MUTGBJKUEZFXGO C8 H10 O3 154.06298 196.0968 218.4 [M+ACN+H]+1 2b 0 1 0 0 0 1 Hexanoylcarnitine CAR 6:0 VVPRQWTYSNDTEA C13 H25 N O4 259.17844 260.18571 207.6 [M+H]+1 4 0 1 0 0 0 0 Hippuric Acid Hippuric acid QIAFMBKCNZACKA C9 H9 N O3 179.05819 180.06547 74.16 [M+H]+1 2b 0 1 0 0 0 1 Histamine Histamine NTYJJOPFIAHURM C5 H9 N3 111.07958 112.08685 371.46 [M+H]+1 2b 0 1 0 0 0 1 Homoarginine Homoarginine QUOGESRFPZDMMT C7 H16 N4 O2 188.12719 189.13447 383.76 [M+H]+1 2b 0 1 0 0 0 1 Homocysteine Homocysteine FFFHZYDWPBMWHY C4 H9 N O2 S 135.03543 136.04276 240.78 [M+H]+1 2b 0 1 0 0 0 1 Hypoglycin A - OOJZCXFXPZGUBJ C7 H11 N O2 141.079 142.08628 226.68 [M+H]+1 2b 0 1 0 0 0 1 Hypoxanthine Hypoxanthine FDGQSTZJBFJUBT C5 H4 N4 O 136.03858 137.04586 171.18 [M+H]+1 2a 0 1 0 0 1 0 ImDKP - DBJPZCJQDRPOME C9 H16 N2 O2 184.12112 185.1284 99.12 [M+H]+1 2b 0 1 0 0 0 1 Imidazol-5-yl-pyruvate - JEJNWEREQWMOHB C6 H6 N2 O3 154.03775 155.04503 194.76 [M+H]+1 2b 0 1 0 0 0 1 Imiprothrin - VPRAQYXPZIFIOH C17 H22 N2 O4 318.15788 319.16516 212.22 [M+H]+1 4 0 1 0 0 0 0 Indole1 Indole SIKJAQJRHWYJAI C8 H7 N 117.05783 118.06511 231.48 [M+H]+1 2b 0 1 0 0 0 1 Indole2 Indole MXJWRABVEGLYDG C8 H7 N 117.05786 118.06514 222.54 [M+H]+1 2b 0 1 0 0 0 1 Indole3 Indole SIKJAQJRHWYJAI C8 H7 N 117.05785 118.06513 74.1 [M+H]+1 2b 0 1 0 0 0 1 Indoleacrylicacid1 Indoleacrylic acid PLVPPLCLBIEYEA C11 H9 N O2 187.06324 188.07048 231.42 [M+H]+1 4 0 1 0 0 0 0 Indoleacrylicacid2 Indoleacrylic acid PLVPPLCLBIEYEA C11 H9 N O2 187.06325 188.07052 209.04 [M+H]+1 4 0 1 0 0 0 0 Inosine Inosine UGQMRVRMYYASKQ C10 H12 N4 O5 268.08079 269.08807 171.18 [M+H]+1 4 0 1 0 0 0 0 Ipronidazole - NTAFJUSDNOSFFY C7 H11 N3 O2 169.08506 170.09234 373.2 [M+H]+1 2b 0 1 0 0 0 1 Isopropalin - NEKOXWSIMFDGMA C15 H23 N3 O4 309.16886 310.17614 80.7 [M+H]+1 2b 0 1 0 0 0 1 Isoquinoline Isoquinoline AWJUIBRHMBBTKR C9 H7 N 129.05786 130.06514 231.48 [M+H]+1 2b 0 1 0 0 0 1 L-2-amino-4-pentynoic acid - DGYHPLMPMRKMPD C5 H7 N O2 113.04759 146.08108 242.4 [M+H+MeOH]+1 2b 0 1 0 0 0 1 L-Cystine Cystine LEVWYRKDKASIDU C6 H12 N2 O4 S2 240.02388 241.03116 335.34 [M+H]+1 2a 0 1 0 0 1 0 L-Histidine Histidine HNDVDQJCIGZPNO C6 H9 N3 O2 155.06937 156.07664 371.22 [M+H]+1 2b 0 1 0 0 0 1 L-Homocitrulline Homocitrulline XIGSAGMEBXLVJJ C7 H15 N3 O3 189.11123 190.11851 289.98 [M+H]+1 2b 0 1 0 0 0 1 L-Isoleucine1 Isoleucine AGPKZVBTJJNPAG C6 H13 N O2 131.09453 132.1018 226.32 [M+H]+1 2b 0 1 0 0 0 1 L-Isoleucine2 Isoleucine AGPKZVBTJJNPAG C6 H13 N O2 131.09456 132.10183 229.68 [M+H]+1 2b 0 1 0 0 0 1 L-Isoleucine3 Isoleucine AGPKZVBTJJNPAG C6 H13 N O2 131.09462 132.1019 243.3 [M+H]+1 2b 0 1 0 0 0 1 L-Kynurenine Kynurenine YGPSJZOEDVAXAB C10 H12 N2 O3 208.08466 209.09193 227.28 [M+H]+1 4 0 1 0 0 0 0 L-Methionine Methionine FFEARJCKVFRZRR C5 H11 N O2 S 149.05105 150.05832 122.76 [M+H]+1 2b 0 1 0 0 0 1 L-Methionine Sulfoxide - QEFRNWWLZKMPFJ C5 H11 N O3 S 165.04594 166.05322 282.72 [M+H]+1 2b 0 1 0 0 0 1 L-Octanoylcarnitine CAR 8:0 CXTATJFJDMJMIY C15 H29 N O4 287.20961 288.21689 203.28 [M+H]+1 4 0 1 0 0 0 0 L-Prolyl-L-Leucine Pro-Leu ZKQOUHVVXABNDG C11 H20 N2 O3 228.14737 261.18086 244.5 [M+H+MeOH]+1 4 0 1 0 0 0 0 L-Tyrosinemethylester Methyl tyrosinate MWZPENIJLUWBSY C10 H13 N O3 195.08948 178.0862 235.86 [M+H-H2O]+1 4 0 1 0 0 0 0 L(+)-Citrulline Citrulline RHGKLRLOHDJJDR C6 H13 N3 O3 175.09563 176.10288 296.46 [M+H]+1 2b 0 1 0 0 0 1 Leu-Pro Leucyl-Proline VTJUNIYRYIAIHF C11 H20 N2 O3 228.14738 229.15465 235.86 [M+H]+1 4 0 1 0 0 0 0 Linamarin Linamarin QLTCHMYAEJEXBT C10 H17 N O6 247.10556 248.11284 235.44 [M+H]+1 4 0 1 0 0 0 0 LMFA08020332 - - C16 H31 N O4 301.22525 302.23252 201.72 [M+H]+1 2b 0 1 0 0 0 1 LMST01110017 QPZGFCIOPOCRRK C29 H48 O2 428.36549 429.37277 64.68 [M+H]+1 2b 0 1 0 0 0 1 Lotaustralin Lotaustralin WEWBWVMTOYUPHH C11 H19 N O6 261.12117 262.12844 227.46 [M+H]+1 4 0 1 0 0 0 0 Maleamate Maleamate FSQQTNAZHBEJLS C4 H5 N O3 115.02693 133.06076 290.4 [M+NH4]+1 2b 0 1 0 0 0 1 Malyngamide H - MNBBBIJBVPWYSD C26 H41 N O4 431.30348 432.31078 51 [M+H]+1 4 0 1 0 0 0 0 Maniwamycin A - WFHYSKXBQMLHKH C10 H18 N2 O2 198.13669 199.14397 87.36 [M+H]+1 4 0 1 0 0 0 0 Maniwamycin B - YSGFBXZSDXVSLM C10 H20 N2 O2 200.15241 201.15968 81.06 [M+H]+1 2b 0 1 0 0 0 1 Mebutamate - LEROTMJVBFSIMP C10 H20 N2 O4 232.14228 233.14956 239.64 [M+H]+1 4 0 1 0 0 0 0 Methohexital Methohexital NZXKDOXHBHYTKP C14 H18 N2 O3 262.13163 263.13891 221.7 [M+H]+1 4 0 1 0 0 0 0 Methylimidazoleacetaldehyde Methylimidazole acetaldehyde GCQHUBANENYTLB C6 H8 N2 O 124.06368 125.07097 79.38 [M+H]+1 2b 0 1 0 0 0 1 Methylimidazoleaceticacid Methylimidazoleacetic acid ZHCKPJGJQOPTLB C6 H8 N2 O2 140.05852 141.06584 239.52 [M+H]+1 2b 0 1 0 0 0 1 MM 22382 - - C13 H16 N2 O5 S 312.07803 313.0853 81.54 [M+H]+1 2b 0 1 0 0 0 1 Monostearin - VBICKXHEKHSIBG C21 H42 O4 358.30827 359.31554 65.52 [M+H]+1 4 0 1 0 0 0 0 Morphine Morphine BQJCRHHNABKAKU C17 H19 N O3 285.13653 286.14381 67.08 [M+H]+1 4 0 1 0 0 0 0 N-(2-methylpropyl)-2-methylbutenamide - RPFDZLFZNNCJEC C9 H17 N O 155.13094 156.13823 72.54 [M+H]+1 4 0 1 0 0 0 0 N-(3-hydroxy-dodecanoyl)-homoserine lactone - RGTXFFYJJNWEPV C16 H29 N O4 299.20961 300.21689 202.68 [M+H]+1 4 0 1 0 0 0 0 N-(3-hydroxy-octanoyl)-homoserine lactone - XCZVBYOXRSFQBH C12 H21 N O4 243.14699 276.18048 220.86 [M+H+MeOH]+1 4 0 1 0 0 0 0 N-(3-oxo-hexanoyl)-homoserine thiolactone - - C10 H15 N O3 S 229.07721 230.08449 221.1 [M+H]+1 4 0 1 0 0 0 0 N-Acetyl-D-glucosaminate N-acetyl-glucosaminic acid LZKNVSNNPRQZJB C8 H15 N O7 237.08481 238.09208 293.58 [M+H]+1 4 0 1 0 0 0 0 N-alpha-Acetylarginine Pelargonidin XVFMGWDSJLBXDZ C8 H16 N4 O3 216.12219 217.12947 266.58 [M+H]+1 4 0 1 0 0 0 0 N-arachidonoyl D-serine N-Arachidonoyl D-serine FQUVPTVNRMUOPO C23 H37 N O4 391.2721 392.27937 195.9 [M+H]+1 4 0 1 0 0 0 0 N-docosahexaenoyl GABA N-Docosahexaenoyl GABA HZMSBMNSIHSLPJ C26 H39 N O3 413.29293 414.3002 81.36 [M+H]+1 2b 0 1 0 0 0 1 N-formylloline - YHLKXYXFUCTURZ C9 H14 N2 O2 182.10549 183.11277 101.28 [M+H]+1 2b 0 1 0 0 0 1 N-hexanoyl-homoserine lactone - - C10 H17 N O3 199.12072 200.128 224.52 [M+H]+1 2b 0 1 0 0 0 1 N-Hydroxy-2-acetamidofluorene - SOKUIEGXJHVFDV C15 H13 N O2 239.0946 240.10187 213.78 [M+H]+1 4 0 1 0 0 0 0 N-linoleoyl dopamine - SZYHQIGUKQSEJ C26 H41 N O3 415.30854 416.31582 47.58 [M+H]+1 2b 0 1 0 0 0 1 N-Methylnicotinicacid1 Trigonelline WWNNZCOKKKDOPX C7 H7 N O2 137.0477 138.05497 219.48 [M+H]+1 2b 0 1 0 0 0 1 N-Methylnicotinicacid2 Trigonelline WWNNZCOKKKDOPX C7 H7 N O2 137.04768 138.05496 243.36 [M+H]+1 2b 0 1 0 0 0 1 N-oleoyl L-serine N-Oleoylserine MBDKGXAMSZIDKF C21 H39 N O4 369.28782 370.2951 195.84 [M+H]+1 4 0 1 0 0 0 0 N-oleoyl threonine N-Oleoyl threonine NEMXEZCVUJCXDQ C22 H41 N O4 383.30341 384.31068 195.12 [M+H]+1 2b 0 1 0 0 0 1 N-palmitoyl glutamic acid N-Palmitoyl glutamic acid KMAOMYOPEIRFLB C21 H39 N O5 385.28272 386.28998 201.72 [M+H]+1 4 0 1 0 0 0 0 N-palmitoyl serine N-Palmitoyl serine BFVRFWIQTACAPT C19 H37 N O4 343.27216 344.27944 197.4 [M+H]+1 4 0 1 0 0 0 0 N-palmitoyl threonine N-Palmitoyl threonine JOIXCEREMHWULC C20 H39 N O4 357.2878 358.29507 196.2 [M+H]+1 2b 0 1 0 0 0 1 N-stearoyl serine N-Stearoyl serine CLHUCXCVFSEJRR C21 H41 N O4 371.30345 372.31072 195.48 [M+H]+1 2b 0 1 0 0 0 1 N-tetradecanoyl-homoserine lactone - - C18 H33 N O3 311.24605 344.27954 196.86 [M+H+MeOH]+1 4 0 1 0 0 0 0 N,N-Bis(2-hydroxyethyl)dodecanamide Lauroyl diethanolamide AOMUHOFOVNGZAN C16 H33 N O3 287.24614 270.24281 64.92 [M+H-H2O]+1 4 0 1 0 0 0 0 N,N-diethyl-3-hydroxybut-2-enamide - HFULVRQKWHMTMH C8 H15 N O2 157.11025 158.11752 237.96 [M+H]+1 2b 0 1 0 0 0 1 N,N-Dimethyl-1-pentadecanamine - SNHHYQWNNZIBLN C17 H37 N 255.29254 256.29981 194.46 [M+H]+1 4 0 1 0 0 0 0 N1-[1-(2-furylcarbonyl)-4-piperidyl]benzamide - - C17 H18 N2 O3 298.13177 299.13904 65.04 [M+H]+1 2a 0 1 0 0 1 0 N1-Methyl-2-pyridone-5-carboxamide N1-Methyl-2-pyridone-5-carboxamide JLQSXXWTCJPCBC C7 H8 N2 O2 152.05851 153.06585 373.74 [M+H]+1 2b 0 1 0 0 0 1 Nadolol Nadolol VWPOSFSPZNDTMJ C17 H27 N O4 309.19392 310.2012 203.7 [M+H]+1 4 0 1 0 0 0 0 Naphthalen-2-amine1 2-Aminonaphthalene JBIJLHTVPXGSAM C10 H9 N 143.07352 144.0808 231.42 [M+H]+1 4 0 1 0 0 0 0 Naphthalen-2-amine2 2-Aminonaphthalene JBIJLHTVPXGSAM C10 H9 N 143.07352 144.08079 222.54 [M+H]+1 4 0 1 0 0 0 0 Negamycin - IKHFJPZQZVMLRH C9 H20 N4 O4 248.14828 231.14499 267.78 [M+H-H2O]+1 4 0 1 0 0 0 0 Nicotinamide Niacinamide DFPAKSUCGFBDDF C6 H6 N2 O 122.04798 123.05526 125.64 [M+H]+1 4 0 1 0 0 0 0 Nitrosporeunol D - LCSOUBBWDOVFFI C12 H16 O3 208.10996 209.11725 66.9 [M+H]+1 2b 0 1 0 0 0 1 Noroxymorphone - HLMSIZPQBSYUNL C16 H17 N O4 287.11559 288.12287 220.92 [M+H]+1 4 0 1 0 0 0 0 O-Palmitoyl-R-carnitine CAR 16:0 XOMRRQXKHMYMOC C23 H45 N O4 399.3348 400.34208 193.86 [M+H]+1 4 0 1 0 0 0 0 O-Propanoylcarnitine CAR 3:0 UFAHZIUFPNSHSL C10 H19 N O4 217.13134 218.13862 222 [M+H]+1 2b 0 1 0 0 0 1 Omeprazole sulphone Omeprazole sulfone IXEQEYRTSRFZEO C17 H19 N3 O4 S 361.10954 362.11681 88.14 [M+H]+1 2a 0 1 0 0 1 0 Oxazolidine E - ZRCMGIXRGFOXNT C7 H13 N O2 143.09463 144.1019 221.58 [M+H]+1 2b 0 1 0 0 0 1 P-Hydroxyphenyl-acetamide - YBPAYPRLUDCSEY C8 H9 N O2 151.06333 152.07061 138.48 [M+H]+1 2b 0 1 0 0 0 1 Palmitoleicacid Palmitoleic acid SECPZKHBENQXJG C16 H30 O2 254.2248 255.23191 65.1 [M+H]+1 4 0 1 0 0 0 0 Pantetheine Pantetheine ZNXZGRMVNNHPCA C11 H22 N2 O4 S 278.13006 279.13734 51.72 [M+H]+1 4 0 1 0 0 0 0 Pantothenicacid(VitaminB5) Pantothenic acid GHOKWGTUZJEAQD C9 H17 N O5 219.11075 220.11803 81.48 [M+H]+1 4 0 1 0 0 0 0 Paraxanthine Paraxanthine QUNWUDVFRNGTCO C7 H8 N4 O2 180.06469 181.07196 81.12 [M+H]+1 2b 0 1 0 0 0 1 PE-Cer(d14:2(4E,6E)/23:0) - GHOYZKFJGQWFEZ C39 H77 N2 O6 P 700.55189 701.55918 198.9 [M+H]+1 2a 0 1 0 0 1 0 PE-NMe(18:1(9E)/18:1(9E))1 PE-NMe 18:1(9E)/18:1(9E)* LPXFOQGBESUDAX C42 H80 N O8 P 757.56173 758.56901 161.1 [M+H]+1 2b 0 1 0 0 0 1 PE-NMe(18:1(9E)/18:1(9E))2 PE-NMe 18:1(9E)/18:1(9E)* LPXFOQGBESUDAX C42 H80 N O8 P 757.56192 758.56919 131.52 [M+H]+1 2b 0 1 0 0 0 1 PE(17:0/22:4(7Z,10Z,13Z,16Z)) PE 17:0/22:4(7Z,10Z,13Z,16Z)* CECLOFYFVPZDIU C44 H80 N O8 P 781.56177 782.56904 152.4 [M+H]+1 2b 0 1 0 0 0 1 PE(17:1(9Z)/22:2(13Z,16Z)) PE 17:1(9Z)/22:2(13Z,16Z)* LEGIAVMPBNIGMW C44 H82 N O8 P 783.57685 784.58404 156.6 [M+H]+1 2b 0 1 0 0 0 1 PE(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)* PITVJCPCBXGCHJ C46 H80 N O8 P 805.56194 806.56922 150.48 [M+H]+1 2b 0 1 0 0 0 1 PE(20:2(5Z,8Z)/18:0) PE 20:2(5Z,8Z)/18:0* LHKJMNDRVSIZJY C43 H82 N O8 P 771.57782 772.5851 159.78 [M+H]+1 4 0 1 0 0 0 0 PE(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)* YYWYJAHZRFSIIU C48 H84 N O8 P 833.59338 834.60065 148.44 [M+H]+1 2b 0 1 0 0 0 1 Pestalotiopamide E - BTSIVTZQXXCWQD C11 H17 N O5 243.11055 261.14438 225.12 [M+NH4]+1 4 0 1 0 0 0 0 PGF2alpha dimethyl amide - QGAWKBHDDFBNMX C22 H39 N O4 381.28775 382.29503 196.08 [M+H]+1 4 0 1 0 0 0 0 Phenacetin1 Phenacetin CPJSUEIXXCENMM C10 H13 N O2 179.09469 180.10197 68.94 [M+H]+1 2b 0 1 0 0 0 1 Phenacetin2 Phenacetin CPJSUEIXXCENMM C10 H13 N O2 179.0946 180.10189 217.92 [M+H]+1 4 0 1 0 0 0 0 Phenylalanine Phenylalanine COLNVLDHVKWLRT C9 H11 N O2 165.07886 166.08613 222.54 [M+H]+1 4 0 1 0 0 0 0 PI(18:0/20:4(5Z,8Z,11Z,14Z)) PI 18:0/20:4(5Z,8Z,11Z,14Z)* KRTOMQDUKGRFDJ C47 H83 O13 P 886.55736 887.56468 57.42 [M+H]+1 4 0 1 0 0 0 0 Piptamine - YMMNFUJNCOWQRX C23 H41 N 331.32379 332.33107 185.94 [M+H]+1 4 0 1 0 0 0 0 Piracetam Piracetam GMZVRMREEHBGGF C6 H10 N2 O2 142.07428 143.08156 241.56 [M+H]+1 2b 0 1 0 0 0 1 Pirbuterol Pirbuterol VQDBNKDJNJQRDG C12 H20 N2 O3 240.14732 241.15459 235.74 [M+H]+1 4 0 1 0 0 0 0 Pregabalin Pregabalin AYXYPKUFHZROOJ C8 H17 N O2 159.12581 160.13309 237.36 [M+H]+1 2b 0 1 0 0 0 1 Proline1 Proline ONIBWKKTOPOVIA C5 H9 N O2 115.06329 116.07057 248.1 [M+H]+1 2b 0 1 0 0 0 1 Proline2 Proline ONIBWKKTOPOVIA C5 H9 N O2 115.06334 116.07061 384.66 [M+H]+1 2b 0 1 0 0 0 1 Propamocarb - WZZLDXDUQPOXNW C9 H20 N2 O2 188.15241 189.15969 392.4 [M+H]+1 2b 0 1 0 0 0 1 Prumycin - KBSVAZCLQHOLKP C8 H17 N3 O4 219.12187 202.11858 226.02 [M+H-H2O]+1 4 0 1 0 0 0 0 Pseudouridine1 Pseudouridine PTJWIQPHWPFNBW C9 H12 N2 O6 244.06959 245.07686 195.54 [M+H]+1 4 0 1 0 0 0 0 Pseudouridine2 Pseudouridine PTJWIQPHWPFNBW C9 H12 N2 O6 244.06958 245.07685 130.02 [M+H]+1 4 0 1 0 0 0 0 Pulcherriminic acid Pulcherriminic acid SIKJAQJRHWYJAI C12 H20 N2 O4 256.1423 257.14958 76.5 [M+H]+1 4 0 1 0 0 0 0 Pyridoxamine;2-Methyl-4-aminomethyl-5-hydroxymethyl-3-Pyridinol - NHZMQXZHNVQTQA C8 H12 N2 O2 168.08986 169.09714 109.26 [M+H]+1 4 0 1 0 0 0 0 Pyrrolam B - GDAIAQLKZOBITI C8 H13 N O2 155.09465 156.10193 237.24 [M+H]+1 2b 0 1 0 0 0 1 Qinimycin B - - C23 H29 N O9 463.18428 464.19156 79.2 [M+H]+1 2b 0 1 0 0 0 1 Ranitidine Ranitidine VMXUWOKSQNHOCA C13 H22 N4 O3 S 314.14104 315.14832 236.1 [M+H]+1 4 0 1 0 0 0 0 Sanguinolentaquinone - MSNNSPHLDYMPRI C13 H16 N2 O4 264.1111 265.11838 80.28 [M+H]+1 2b 0 1 0 0 0 1 Serinolamides D - FPCGSXVPELFJGR C23 H43 N O4 397.31918 398.32646 194.28 [M+H]+1 4 0 1 0 0 0 0 Serratamic acid - NDDJIMSGSZNACM C13 H25 N O5 275.17324 276.18051 220.86 [M+H]+1 4 0 1 0 0 0 0 Sistodiolynne (1R-cis)-Sistodiolynne CJQQKSVOADEXIS C9 H8 O2 148.05237 149.0597 222.6 [M+H]+1 2a 0 1 0 0 1 0 Spylidone - - C26 H39 N O4 429.28777 430.295 77.7 [M+H]+1 2b 0 1 0 0 0 1 Staphyloamide B - WIAREGARJIKKRJ C10 H16 N2 O3 212.11596 213.12322 239.04 [M+H]+1 4 0 1 0 0 0 0 Styrene Styrene PPBRXRYQALVLMV C8 H8 104.06256 105.0696 223.38 [M+H]+1 2a 0 1 0 0 1 0 Symmetricdimethylarginine Symmetric dimethylarginine GMZVRMREEHBGGF C8 H18 N4 O2 202.14294 203.15023 370.2 [M+H]+1 2b 0 1 0 0 0 1 Taurochenodeoxycholic acid; ΔMass: -52.9571 Da Taurochenodeoxycholic Acid BHTRKEVKTKCXOH C26 H45 N O6 S 499.29674 500.30398 55.38 [M+H]+1 2a 0 1 0 0 1 0 Taurochenodeoxycholicacid Taurochenodeoxycholic acid BHTRKEVKTKCXOH C26 H45 N O6 S 499.29674 500.30398 55.38 [M+H]+1 4 0 1 0 0 0 0 Thymidine-3-mercaptocarbamic acid - OARRVVYARWENNW C11 H15 N3 O7 S 333.06291 334.07018 338.46 [M+H]+1 4 0 1 0 0 0 0 TM-64 - XWYCGSFRLLWGTP C16 H18 N4 O S 314.11998 315.12722 287.34 [M+H]+1 2b 0 1 0 0 0 1 Tranexamic Acid Tranexamic acid GYDJEQRTZSCIOI C8 H15 N O2 157.11029 158.11756 81.24 [M+H]+1 2b 0 1 0 0 0 1 Trans-4-aminoproline1 - SHINASQYHDCLEU C5 H10 N2 O2 130.07422 131.0815 268.92 [M+H]+1 2b 0 1 0 0 0 1 Trans-4-aminoproline2 - SHINASQYHDCLEU C5 H10 N2 O2 130.07414 163.10763 389.22 [M+H+MeOH]+1 2b 0 1 0 0 0 1 Trehalamine - BZVATLSLUPKXJY C7 H12 N2 O5 204.07458 205.08185 282.36 [M+H]+1 2b 0 1 0 0 0 1 Tricholide B - XWYPACJKLTZIII C25 H43 N O4 421.31912 422.3264 194.04 [M+H]+1 4 0 1 0 0 0 0 Triphenylphosphine oxide - FIQMHBFVRAXMOP C18 H15 O P 278.0862 279.09348 68.58 [M+H]+1 2b 0 1 0 0 0 1 Tris(2-butoxyethyl) phosphate - WTLBZVNBAKMVDP C18 H39 O7 P 398.24343 399.25071 65.58 [M+H]+1 4 0 1 0 0 0 0 Tryptophan Tryptophan QIVBCDIJIAJPQS C11 H12 N2 O2 204.08975 205.09705 231.48 [M+H]+1 4 0 1 0 0 0 0 Uric acid1 Uric acid LEHOTFFKMJEONL C5 H4 N4 O3 168.02821 169.03547 211.14 [M+H]+1 4 0 1 0 0 0 0 Uric acid2 Uric acid LEHOTFFKMJEONL C5 H4 N4 O3 168.02821 169.03547 211.14 [M+H]+1 2a 0 1 0 0 1 0 Xanthine Xanthine LRFVTYWOQMYALW C5 H4 N4 O2 152.03339 153.04067 126.96 [M+H]+1 2b 0 1 0 0 0 1 Xestostreptin - GXNDDRVCUBWYBN C9 H14 N2 O3 198.10045 199.10772 105.36 [M+H]+1 2b 0 1 0 0 0 1 YM-47515 - CPFRNLPNIWVHAU C17 H29 N O4 311.20958 312.21686 202.44 [M+H]+1 4 0 1 0 0 0 0 γ-L-glutamyl-L-leucine - - C11 H20 N2 O5 260.13722 261.1445 224.88 [M+H]+1 4 0 1 0 0 0 0 METABOLITES_END #END