#METABOLOMICS WORKBENCH SinaiMetabolomics_20230903_071703 DATATRACK_ID:4281 STUDY_ID:ST002871 ANALYSIS_ID:AN005183 PROJECT_ID:PR001661 VERSION 1 CREATED_ON 08-15-2024 #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 PR:FUNDING_SOURCE Human Health Exposure Analysis Untargeted Resource Icahn School of Medicine at PR:FUNDING_SOURCE Mount Sinai: M. Arora (U2CES030859) and Human Health Exposure Analysis Targeted PR:FUNDING_SOURCE Resource Icahn School of Medicine at Mount Sinai: R. Wright (U2CES026561) PR:DOI http://dx.doi.org/10.21228/M80Q6D #STUDY ST:STUDY_TITLE Role of environmental toxicants in obesity-related cardiovascular disease- ST:STUDY_TITLE plasma untargeted GC-HRMS analysis (part 2 of 3) ST:STUDY_SUMMARY 146 plasma samples were analyzed with untargeted GC-HRMS. 28 chemicals were ST:STUDY_SUMMARY annotated and 101 additional unknown features were measured. 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 6174141565 ST:SUBMIT_DATE 2023-09-03 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_01_1 Batch:1 Run_Order=10; RAW_FILE_NAME=AM_B1_010_matrix_23S002_1_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_01_2 Batch:1 Run_Order=11; RAW_FILE_NAME=AM_B1_011_matrix_23S002_2_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_01_3 Batch:1 Run_Order=12; RAW_FILE_NAME=AM_B1_012_matrix_23S002_3_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_01_4 Batch:1 Run_Order=52; RAW_FILE_NAME=AM_B1_055_matrix_23S002_4_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_01_5 Batch:1 Run_Order=53; RAW_FILE_NAME=AM_B1_056_matrix_23S002_5_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_01_6 Batch:1 Run_Order=54; RAW_FILE_NAME=AM_B1_057_matrix_23S002_6_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS HHEAR_H-2JWW7-PH-00 H-2JWW7-PH-00 Batch:1 Run_Order=15; RAW_FILE_NAME=AM_B1_015_23S002SU0001_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JWX4-PH-00 H-2JWX4-PH-00 Batch:1 Run_Order=16; RAW_FILE_NAME=AM_B1_016_23S002SU0002_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JX01-PH-00 H-2JX01-PH-00 Batch:1 Run_Order=19; RAW_FILE_NAME=AM_B1_019_23S002SU0005_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JX43-PH-00 H-2JX43-PH-00 Batch:1 Run_Order=20; RAW_FILE_NAME=AM_B1_020_23S002SU0006_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JXX3-PH-00 H-2JXX3-PH-00 Batch:1 Run_Order=21; RAW_FILE_NAME=AM_B1_021_23S002SU0007_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JYK1-PH-00 H-2JYK1-PH-00 Batch:1 Run_Order=22; RAW_FILE_NAME=AM_B1_022_23S002SU0008_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JYR6-PH-00 H-2JYR6-PH-00 Batch:1 Run_Order=27; RAW_FILE_NAME=AM_B1_027_23S002SU0011_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JYY0-PH-00 H-2JYY0-PH-00 Batch:1 Run_Order=28; RAW_FILE_NAME=AM_B1_028_23S002SU0012_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JZ25-PH-00 H-2JZ25-PH-00 Batch:1 Run_Order=31; RAW_FILE_NAME=AM_B1_031_23S002SU0015_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JZ66-PH-00 H-2JZ66-PH-00 Batch:1 Run_Order=32; RAW_FILE_NAME=AM_B1_032_23S002SU0016_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JZM6-PH-00 H-2JZM6-PH-00 Batch:1 Run_Order=33; RAW_FILE_NAME=AM_B1_033_23S002SU0017_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JZN3-PH-00 H-2JZN3-PH-00 Batch:1 Run_Order=35; RAW_FILE_NAME=AM_B1_035_23S002SU0019_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JZQ7-PH-00 H-2JZQ7-PH-00 Batch:1 Run_Order=36; RAW_FILE_NAME=AM_B1_036_23S002SU0020_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2JZR5-PH-00 H-2JZR5-PH-00 Batch:1 Run_Order=39; RAW_FILE_NAME=AM_B1_039_23S002SU0021_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K025-PH-00 H-2K025-PH-00 Batch:1 Run_Order=40; RAW_FILE_NAME=AM_B1_040_23S002SU0022_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K058-PH-00 H-2K058-PH-00 Batch:1 Run_Order=41; RAW_FILE_NAME=AM_B1_041_23S002SU0023_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K066-PH-00 H-2K066-PH-00 Batch:1 Run_Order=42; RAW_FILE_NAME=AM_B1_042_23S002SU0024_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K082-PH-00 H-2K082-PH-00 Batch:1 Run_Order=43; RAW_FILE_NAME=AM_B1_043_23S002SU0025_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K0G9-PH-00 H-2K0G9-PH-00 Batch:1 Run_Order=44; RAW_FILE_NAME=AM_B1_044_23S002SU0026_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K0L8-PH-00 H-2K0L8-PH-00 Batch:1 Run_Order=47; RAW_FILE_NAME=AM_B1_047_23S002SU0029_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K0M6-PH-00 H-2K0M6-PH-00 Batch:1 Run_Order=48; RAW_FILE_NAME=AM_B1_048_23S002SU0030_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K462-PH-00 H-2K462-PH-00 Batch:1 Run_Order=17; RAW_FILE_NAME=AM_B1_017_23S002SU0003_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K4D1-PH-00 H-2K4D1-PH-00 Batch:1 Run_Order=18; RAW_FILE_NAME=AM_B1_018_23S002SU0004_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K4H3-PH-00 H-2K4H3-PH-00 Batch:1 Run_Order=23; RAW_FILE_NAME=AM_B1_023_23S002SU0009_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K4P5-PH-00 H-2K4P5-PH-00 Batch:1 Run_Order=24; RAW_FILE_NAME=AM_B1_024_23S002SU0010_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K4T6-PH-00 H-2K4T6-PH-00 Batch:1 Run_Order=29; RAW_FILE_NAME=AM_B1_029_23S002SU0013_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K4U4-PH-00 H-2K4U4-PH-00 Batch:1 Run_Order=30; RAW_FILE_NAME=AM_B1_030_23S002SU0014_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K538-PH-00 H-2K538-PH-00 Batch:1 Run_Order=45; RAW_FILE_NAME=AM_B1_045_23S002SU0027_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K561-PH-00 H-2K561-PH-00 Batch:1 Run_Order=46; RAW_FILE_NAME=AM_B1_046_23S002SU0028_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EDR4-PH-00 H-6EDR4-PH-00 Batch:1 Run_Order=34; RAW_FILE_NAME=AM_B1_034_23S002SU0018_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_01_1 Batch:1 Run_Order=3; RAW_FILE_NAME=AM_B1_003_HHEAR_P1_20_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_01_2 Batch:1 Run_Order=5; RAW_FILE_NAME=AM_B1_005_HHEAR_P1_20_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_01_3 Batch:1 Run_Order=25; RAW_FILE_NAME=AM_B1_025_HHEAR_P1_20_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_01_4 Batch:1 Run_Order=49; RAW_FILE_NAME=AM_B1_049_HHEAR_P1_20_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_01_1 Batch:1 Run_Order=4; RAW_FILE_NAME=AM_B1_004_HHEAR_P2_50_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_01_2 Batch:1 Run_Order=6; RAW_FILE_NAME=AM_B1_006_HHEAR_P2_50_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_01_3 Batch:1 Run_Order=37; RAW_FILE_NAME=AM_B1_037_HHEAR_P2_50_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_01_4 Batch:1 Run_Order=50; RAW_FILE_NAME=AM_B1_037_HHEAR_P2_50_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_01_1 Batch:1 Run_Order=7; RAW_FILE_NAME=AM_B1_007_NIST1958_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_01_2 Batch:1 Run_Order=8; RAW_FILE_NAME=AM_B1_008_NIST1958_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_01_3 Batch:1 Run_Order=9; RAW_FILE_NAME=AM_B1_009_NIST1958_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_01_4 Batch:1 Run_Order=55; RAW_FILE_NAME=AM_B1_058_NIST1958_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_01_5 Batch:1 Run_Order=56; RAW_FILE_NAME=AM_B1_059_NIST1958_5_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_01_6 Batch:1 Run_Order=57; RAW_FILE_NAME=AM_B1_060_NIST1958_6_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_02_1 Batch:2 Run_Order=10; RAW_FILE_NAME=AM_B2_010_matrix_23S002_1_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_02_2 Batch:2 Run_Order=11; RAW_FILE_NAME=AM_B2_011_matrix_23S002_2_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_02_3 Batch:2 Run_Order=12; RAW_FILE_NAME=AM_B2_012_matrix_23S002_3_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_02_4 Batch:2 Run_Order=52; RAW_FILE_NAME=AM_B2_052_matrix_23S002_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_02_5 Batch:2 Run_Order=53; RAW_FILE_NAME=AM_B2_053_matrix_23S002_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_02_6 Batch:2 Run_Order=54; RAW_FILE_NAME=AM_B2_054_matrix_23S002_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS HHEAR_H-2K0V6-PH-00 H-2K0V6-PH-00 Batch:2 Run_Order=15; RAW_FILE_NAME=AM_B2_015_23S002SU0031_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K0W4-PH-00 H-2K0W4-PH-00 Batch:2 Run_Order=16; RAW_FILE_NAME=AM_B2_016_23S002SU0032_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K124-PH-00 H-2K124-PH-00 Batch:2 Run_Order=19; RAW_FILE_NAME=AM_B2_019_23S002SU0035_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K132-PH-00 H-2K132-PH-00 Batch:2 Run_Order=20; RAW_FILE_NAME=AM_B2_020_23S002SU0036_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K140-PH-00 H-2K140-PH-00 Batch:2 Run_Order=21; RAW_FILE_NAME=AM_B2_021_23S002SU0037_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K157-PH-00 H-2K157-PH-00 Batch:2 Run_Order=22; RAW_FILE_NAME=AM_B2_022_23S002SU0038_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K1B9-PH-00 H-2K1B9-PH-00 Batch:2 Run_Order=24; RAW_FILE_NAME=AM_B2_024_23S002SU0040_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K1L7-PH-00 H-2K1L7-PH-00 Batch:2 Run_Order=27; RAW_FILE_NAME=AM_B2_027_23S002SU0041_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K1V5-PH-00 H-2K1V5-PH-00 Batch:2 Run_Order=30; RAW_FILE_NAME=AM_B2_030_23S002SU0044_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K215-PH-00 H-2K215-PH-00 Batch:2 Run_Order=31; RAW_FILE_NAME=AM_B2_031_23S002SU0045_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K223-PH-00 H-2K223-PH-00 Batch:2 Run_Order=32; RAW_FILE_NAME=AM_B2_032_23S002SU0046_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K264-PH-00 H-2K264-PH-00 Batch:2 Run_Order=35; RAW_FILE_NAME=AM_B2_035_23S002SU0049_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K298-PH-00 H-2K298-PH-00 Batch:2 Run_Order=36; RAW_FILE_NAME=AM_B2_036_23S002SU0050_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K2A0-PH-00 H-2K2A0-PH-00 Batch:2 Run_Order=39; RAW_FILE_NAME=AM_B2_039_23S002SU0051_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K2B8-PH-00 H-2K2B8-PH-00 Batch:2 Run_Order=40; RAW_FILE_NAME=AM_B2_040_23S002SU0052_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K2C6-PH-00 H-2K2C6-PH-00 Batch:2 Run_Order=41; RAW_FILE_NAME=AM_B2_041_23S002SU0053_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K2G7-PH-00 H-2K2G7-PH-00 Batch:2 Run_Order=42; RAW_FILE_NAME=AM_B2_042_23S002SU0054_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K2U6-PH-00 H-2K2U6-PH-00 Batch:2 Run_Order=43; RAW_FILE_NAME=AM_B2_043_23S002SU0055_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K363-PH-00 H-2K363-PH-00 Batch:2 Run_Order=44; RAW_FILE_NAME=AM_B2_044_23S002SU0056_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K3G6-PH-00 H-2K3G6-PH-00 Batch:2 Run_Order=45; RAW_FILE_NAME=AM_B2_045_23S002SU0057_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K3H4-PH-00 H-2K3H4-PH-00 Batch:2 Run_Order=46; RAW_FILE_NAME=AM_B2_046_23S002SU0058_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K3L5-PH-00 H-2K3L5-PH-00 Batch:2 Run_Order=47; RAW_FILE_NAME=AM_B2_047_23S002SU0059_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K3Q4-PH-00 H-2K3Q4-PH-00 Batch:2 Run_Order=48; RAW_FILE_NAME=AM_B2_048_23S002SU0060_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K595-PH-00 H-2K595-PH-00 Batch:2 Run_Order=17; RAW_FILE_NAME=AM_B2_017_23S002SU0033_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K5B5-PH-00 H-2K5B5-PH-00 Batch:2 Run_Order=18; RAW_FILE_NAME=AM_B2_018_23S002SU0034_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K5G4-PH-00 H-2K5G4-PH-00 Batch:2 Run_Order=28; RAW_FILE_NAME=AM_B2_028_23S002SU0042_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K5V1-PH-00 H-2K5V1-PH-00 Batch:2 Run_Order=29; RAW_FILE_NAME=AM_B2_029_23S002SU0043_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K5W9-PH-00 H-2K5W9-PH-00 Batch:2 Run_Order=33; RAW_FILE_NAME=AM_B2_033_23S002SU0047_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K5X6-PH-00 H-2K5X6-PH-00 Batch:2 Run_Order=34; RAW_FILE_NAME=AM_B2_034_23S002SU0048_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EE15-PH-00 H-6EE15-PH-00 Batch:2 Run_Order=23; RAW_FILE_NAME=AM_B2_023_23S002SU0039_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_02_1 Batch:2 Run_Order=3; RAW_FILE_NAME=AM_B2_003_HHEAR_P1_20_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_02_2 Batch:2 Run_Order=5; RAW_FILE_NAME=AM_B2_005_HHEAR_P1_20_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_02_3 Batch:2 Run_Order=25; RAW_FILE_NAME=AM_B2_025_HHEAR_P1_20_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_02_4 Batch:2 Run_Order=49; RAW_FILE_NAME=AM_B2_049_HHEAR_P1_20_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_02_1 Batch:2 Run_Order=4; RAW_FILE_NAME=AM_B2_004_HHEAR_P2_50_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_02_2 Batch:2 Run_Order=6; RAW_FILE_NAME=AM_B2_006_HHEAR_P2_50_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_02_3 Batch:2 Run_Order=37; RAW_FILE_NAME=AM_B2_037_HHEAR_P2_50_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_02_4 Batch:2 Run_Order=50; RAW_FILE_NAME=AM_B2_050_HHEAR_P2_50_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_NIST_P_1958_02_1 NIST_P_1958_02_1 Batch:2 Run_Order=7; RAW_FILE_NAME=AM_B2_007_NIST1958_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_NIST_P_1958_02_2 NIST_P_1958_02_2 Batch:2 Run_Order=8; RAW_FILE_NAME=AM_B2_008_NIST1958_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_NIST_P_1958_02_3 NIST_P_1958_02_3 Batch:2 Run_Order=9; RAW_FILE_NAME=AM_B2_009_NIST1958_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_02_4 Batch:2 Run_Order=55; RAW_FILE_NAME=AM_B2_055_NIST1958_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_02_5 Batch:2 Run_Order=56; RAW_FILE_NAME=AM_B2_056_NIST1958_5_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_02_6 Batch:2 Run_Order=57; RAW_FILE_NAME=AM_B2_057_NIST1958_6_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_03_1 Batch:3 Run_Order=10; RAW_FILE_NAME=AM_B3_010_matrix_23S002_1_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_03_2 Batch:3 Run_Order=11; RAW_FILE_NAME=AM_B3_011_matrix_23S002_2_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_03_3 Batch:3 Run_Order=12; RAW_FILE_NAME=AM_B3_012_matrix_23S002_3_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_03_4 Batch:3 Run_Order=52; RAW_FILE_NAME=AM_B3_052_matrix_23S002_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_03_5 Batch:3 Run_Order=53; RAW_FILE_NAME=AM_B3_053_matrix_23S002_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_03_6 Batch:3 Run_Order=54; RAW_FILE_NAME=AM_B3_054_matrix_23S002_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS HHEAR_H-2K3U5-PH-00 H-2K3U5-PH-00 Batch:3 Run_Order=15; RAW_FILE_NAME=AM_B3_015_23S002SU0061_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K3W1-PH-00 H-2K3W1-PH-00 Batch:3 Run_Order=16; RAW_FILE_NAME=AM_B3_016_23S002SU0062_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K439-PH-00 H-2K439-PH-00 Batch:3 Run_Order=17; RAW_FILE_NAME=AM_B3_017_23S002SU0063_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K454-PH-00 H-2K454-PH-00 Batch:3 Run_Order=18; RAW_FILE_NAME=AM_B3_018_23S002SU0064_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K5Y4-PH-00 H-2K5Y4-PH-00 Batch:3 Run_Order=19; RAW_FILE_NAME=AM_B3_019_23S002SU0065_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K678-PH-00 H-2K678-PH-00 Batch:3 Run_Order=20; RAW_FILE_NAME=AM_B3_020_23S002SU0066_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K694-PH-00 H-2K694-PH-00 Batch:3 Run_Order=21; RAW_FILE_NAME=AM_B3_021_23S002SU0067_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K6A6-PH-00 H-2K6A6-PH-00 Batch:3 Run_Order=22; RAW_FILE_NAME=AM_B3_022_23S002SU0068_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K6C2-PH-00 H-2K6C2-PH-00 Batch:3 Run_Order=23; RAW_FILE_NAME=AM_B3_023_23S002SU0069_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K6L2-PH-00 H-2K6L2-PH-00 Batch:3 Run_Order=24; RAW_FILE_NAME=AM_B3_024_23S002SU0070_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K6Q1-PH-00 H-2K6Q1-PH-00 Batch:3 Run_Order=27; RAW_FILE_NAME=AM_B3_027_23S002SU0071_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K6R9-PH-00 H-2K6R9-PH-00 Batch:3 Run_Order=28; RAW_FILE_NAME=AM_B3_028_23S002SU0072_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K777-PH-00 H-2K777-PH-00 Batch:3 Run_Order=29; RAW_FILE_NAME=AM_B3_029_23S002SU0073_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K7B3-PH-00 H-2K7B3-PH-00 Batch:3 Run_Order=30; RAW_FILE_NAME=AM_B3_030_23S002SU0074_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K7J5-PH-00 H-2K7J5-PH-00 Batch:3 Run_Order=31; RAW_FILE_NAME=AM_B3_031_23S002SU0075_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K7M9-PH-00 H-2K7M9-PH-00 Batch:3 Run_Order=33; RAW_FILE_NAME=AM_B3_033_23S002SU0077_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K7P2-PH-00 H-2K7P2-PH-00 Batch:3 Run_Order=34; RAW_FILE_NAME=AM_B3_034_23S002SU0078_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K7Q0-PH-00 H-2K7Q0-PH-00 Batch:3 Run_Order=35; RAW_FILE_NAME=AM_B3_035_23S002SU0079_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K7T3-PH-00 H-2K7T3-PH-00 Batch:3 Run_Order=36; RAW_FILE_NAME=AM_B3_036_23S002SU0080_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K7V9-PH-00 H-2K7V9-PH-00 Batch:3 Run_Order=39; RAW_FILE_NAME=AM_B3_039_23S002SU0081_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K7W7-PH-00 H-2K7W7-PH-00 Batch:3 Run_Order=40; RAW_FILE_NAME=AM_B3_040_23S002SU0082_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K801-PH-00 H-2K801-PH-00 Batch:3 Run_Order=41; RAW_FILE_NAME=AM_B3_041_23S002SU0083_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K843-PH-00 H-2K843-PH-00 Batch:3 Run_Order=42; RAW_FILE_NAME=AM_B3_042_23S002SU0084_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K850-PH-00 H-2K850-PH-00 Batch:3 Run_Order=43; RAW_FILE_NAME=AM_B3_043_23S002SU0085_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-2K884-PH-00 H-2K884-PH-00 Batch:3 Run_Order=44; RAW_FILE_NAME=AM_B3_044_23S002SU0086_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DK03-PH-00 H-6DK03-PH-00 Batch:3 Run_Order=45; RAW_FILE_NAME=AM_B3_045_23S002SU0087_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DK52-PH-00 H-6DK52-PH-00 Batch:3 Run_Order=46; RAW_FILE_NAME=AM_B3_046_23S002SU0088_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DLS5-PH-00 H-6DLS5-PH-00 Batch:3 Run_Order=47; RAW_FILE_NAME=AM_B3_047_23S002SU0089_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EBL9-PH-00 H-6EBL9-PH-00 Batch:3 Run_Order=48; RAW_FILE_NAME=AM_B3_048_23S002SU0090_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EPB7-PH-00 H-6EPB7-PH-00 Batch:3 Run_Order=32; RAW_FILE_NAME=AM_B3_032_23S002SU0076_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_03_1 Batch:3 Run_Order=3; RAW_FILE_NAME=AM_B3_003_HHEAR_P1_20_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_03_2 Batch:3 Run_Order=5; RAW_FILE_NAME=AM_B3_005_HHEAR_P1_20_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_03_3 Batch:3 Run_Order=25; RAW_FILE_NAME=AM_B3_025_HHEAR_P1_20_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_03_4 Batch:3 Run_Order=49; RAW_FILE_NAME=AM_B3_049_HHEAR_P1_20_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_03_1 Batch:3 Run_Order=4; RAW_FILE_NAME=AM_B3_004_HHEAR_P2_50_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_03_2 Batch:3 Run_Order=6; RAW_FILE_NAME=AM_B3_006_HHEAR_P2_50_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_03_3 Batch:3 Run_Order=37; RAW_FILE_NAME=AM_B3_037_HHEAR_P2_50_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_03_4 Batch:3 Run_Order=50; RAW_FILE_NAME=AM_B3_050_HHEAR_P2_50_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_03_1 Batch:3 Run_Order=7; RAW_FILE_NAME=AM_B3_007_NIST1958_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_03_2 Batch:3 Run_Order=8; RAW_FILE_NAME=AM_B3_008_NIST1958_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_03_3 Batch:3 Run_Order=9; RAW_FILE_NAME=AM_B3_009_NIST1958_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_03_4 Batch:3 Run_Order=55; RAW_FILE_NAME=AM_B3_055_NIST1958_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_03_5 Batch:3 Run_Order=56; RAW_FILE_NAME=AM_B3_056_NIST1958_5_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_03_6 Batch:3 Run_Order=57; RAW_FILE_NAME=AM_B3_057_NIST1958_6_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_04_1 Batch:4 Run_Order=10; RAW_FILE_NAME=AM_B4_010_matrix_23S002_1_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_04_2 Batch:4 Run_Order=11; RAW_FILE_NAME=AM_B4_011_matrix_23S002_2_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_04_3 Batch:4 Run_Order=12; RAW_FILE_NAME=AM_B4_012_matrix_23S002_3_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_04_4 Batch:4 Run_Order=52; RAW_FILE_NAME=AM_B4_052_matrix_23S002_4_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_04_5 Batch:4 Run_Order=53; RAW_FILE_NAME=AM_B4_053_matrix_23S002_5_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_04_6 Batch:4 Run_Order=54; RAW_FILE_NAME=AM_B4_054_matrix_23S002_6_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS HHEAR_H-6DNJ3-PH-00 H-6DNJ3-PH-00 Batch:4 Run_Order=15; RAW_FILE_NAME=AM_B4_015_23S002SU0091_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DP16-PH-00 H-6DP16-PH-00 Batch:4 Run_Order=16; RAW_FILE_NAME=AM_B4_016_23S002SU0092_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DQH5-PH-00 H-6DQH5-PH-00 Batch:4 Run_Order=17; RAW_FILE_NAME=AM_B4_017_23S002SU0093_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DR89-PH-00 H-6DR89-PH-00 Batch:4 Run_Order=19; RAW_FILE_NAME=AM_B4_019_23S002SU0095_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DS21-PH-00 H-6DS21-PH-00 Batch:4 Run_Order=20; RAW_FILE_NAME=AM_B4_020_23S002SU0096_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DSF7-PH-00 H-6DSF7-PH-00 Batch:4 Run_Order=21; RAW_FILE_NAME=AM_B4_021_23S002SU0097_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DT79-PH-00 H-6DT79-PH-00 Batch:4 Run_Order=22; RAW_FILE_NAME=AM_B4_022_23S002SU0098_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DU11-PH-00 H-6DU11-PH-00 Batch:4 Run_Order=23; RAW_FILE_NAME=AM_B4_023_23S002SU0099_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DUV0-PH-00 H-6DUV0-PH-00 Batch:4 Run_Order=24; RAW_FILE_NAME=AM_B4_024_23S002SU0100_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DVA5-PH-00 H-6DVA5-PH-00 Batch:4 Run_Order=27; RAW_FILE_NAME=AM_B4_027_23S002SU0101_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DW19-PH-00 H-6DW19-PH-00 Batch:4 Run_Order=28; RAW_FILE_NAME=AM_B4_028_23S002SU0102_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DWU0-PH-00 H-6DWU0-PH-00 Batch:4 Run_Order=29; RAW_FILE_NAME=AM_B4_029_23S002SU0103_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DX67-PH-00 H-6DX67-PH-00 Batch:4 Run_Order=31; RAW_FILE_NAME=AM_B4_031_23S002SU0105_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DXR6-PH-00 H-6DXR6-PH-00 Batch:4 Run_Order=32; RAW_FILE_NAME=AM_B4_032_23S002SU0106_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6DZY8-PH-00 H-6DZY8-PH-00 Batch:4 Run_Order=33; RAW_FILE_NAME=AM_B4_033_23S002SU0107_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6E0X0-PH-00 H-6E0X0-PH-00 Batch:4 Run_Order=34; RAW_FILE_NAME=AM_B4_034_23S002SU0108_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6E2G6-PH-00 H-6E2G6-PH-00 Batch:4 Run_Order=39; RAW_FILE_NAME=AM_B4_039_23S002SU0111_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6E4G4-PH-00 H-6E4G4-PH-00 Batch:4 Run_Order=40; RAW_FILE_NAME=AM_B4_040_23S002SU0112_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6E4J7-PH-00 H-6E4J7-PH-00 Batch:4 Run_Order=41; RAW_FILE_NAME=AM_B4_041_23S002SU0113_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6E537-PH-00 H-6E537-PH-00 Batch:4 Run_Order=42; RAW_FILE_NAME=AM_B4_042_23S002SU0114_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6E958-PH-00 H-6E958-PH-00 Batch:4 Run_Order=35; RAW_FILE_NAME=AM_B4_035_23S002SU0109_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EAW6-PH-00 H-6EAW6-PH-00 Batch:4 Run_Order=36; RAW_FILE_NAME=AM_B4_036_23S002SU0110_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6ECY9-PH-00 H-6ECY9-PH-00 Batch:4 Run_Order=18; RAW_FILE_NAME=AM_B4_018_23S002SU0094_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6ED08-PH-00 H-6ED08-PH-00 Batch:4 Run_Order=30; RAW_FILE_NAME=AM_B4_030_23S002SU0104_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EF89-PH-00 H-6EF89-PH-00 Batch:4 Run_Order=43; RAW_FILE_NAME=AM_B4_043_23S002SU0115_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EG88-PH-00 H-6EG88-PH-00 Batch:4 Run_Order=46; RAW_FILE_NAME=AM_B4_046_23S002SU0118_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EHT5-PH-00 H-6EHT5-PH-00 Batch:4 Run_Order=48; RAW_FILE_NAME=AM_B4_048_23S002SU0120_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6ELB1-PH-00 H-6ELB1-PH-00 Batch:4 Run_Order=47; RAW_FILE_NAME=AM_B4_047_23S002SU0119_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6ELQ8-PH-00 H-6ELQ8-PH-00 Batch:4 Run_Order=45; RAW_FILE_NAME=AM_B4_045_23S002SU0117_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EMA2-PH-00 H-6EMA2-PH-00 Batch:4 Run_Order=44; RAW_FILE_NAME=AM_B4_044_23S002SU0116_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_04_1 Batch:4 Run_Order=3; RAW_FILE_NAME=AM_B4_003_HHEAR_P1_20_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_04_2 Batch:4 Run_Order=5; RAW_FILE_NAME=AM_B4_005_HHEAR_P1_20_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_04_3 Batch:4 Run_Order=25; RAW_FILE_NAME=AM_B4_025_HHEAR_P1_20_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_04_4 Batch:4 Run_Order=49; RAW_FILE_NAME=AM_B4_049_HHEAR_P1_20_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_04_1 Batch:4 Run_Order=4; RAW_FILE_NAME=AM_B4_004_HHEAR_P2_50_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_04_2 Batch:4 Run_Order=6; RAW_FILE_NAME=AM_B4_006_HHEAR_P2_50_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_04_3 Batch:4 Run_Order=37; RAW_FILE_NAME=AM_B4_037_HHEAR_P2_50_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_04_4 Batch:4 Run_Order=50; RAW_FILE_NAME=AM_B4_050_HHEAR_P2_50_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_04_1 Batch:4 Run_Order=7; RAW_FILE_NAME=AM_B4_007_NIST1958_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_04_2 Batch:4 Run_Order=8; RAW_FILE_NAME=AM_B4_008_NIST1958_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_04_3 Batch:4 Run_Order=9; RAW_FILE_NAME=AM_B4_009_NIST1958_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_04_4 Batch:4 Run_Order=55; RAW_FILE_NAME=AM_B4_055_NIST1958_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_04_5 Batch:4 Run_Order=56; RAW_FILE_NAME=AM_B4_056_NIST1958_5_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_04_6 Batch:4 Run_Order=57; RAW_FILE_NAME=AM_B4_057_NIST1958_6_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_05_1 Batch:5 Run_Order=10; RAW_FILE_NAME=AM_B5_010_matrix_23S002_1_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_05_2 Batch:5 Run_Order=11; RAW_FILE_NAME=AM_B5_011_matrix_23S002_2_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_05_3 Batch:5 Run_Order=12; RAW_FILE_NAME=AM_B5_012_matrix_23S002_3_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_05_4 Batch:5 Run_Order=48; RAW_FILE_NAME=AM_B5_048_matrix_23S002_4_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_05_5 Batch:5 Run_Order=49; RAW_FILE_NAME=AM_B5_049_matrix_23S002_5_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS Water Blank Extraction Blank_05_6 Batch:5 Run_Order=50; RAW_FILE_NAME=AM_B5_050_matrix_23S002_6_EI; Biospecimen=Matrix SUBJECT_SAMPLE_FACTORS HHEAR_H-4M3Q8-PH-00 H-4M3Q8-PH-00 Batch:5 Run_Order=41; RAW_FILE_NAME=AM_B5_041_23S002SU0143_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EJ85-PH-00 H-6EJ85-PH-00 Batch:5 Run_Order=15; RAW_FILE_NAME=AM_B5_015_23S002SU0121_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EJL1-PH-00 H-6EJL1-PH-00 Batch:5 Run_Order=16; RAW_FILE_NAME=AM_B5_016_23S002SU0122_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EK01-PH-00 H-6EK01-PH-00 Batch:5 Run_Order=18; RAW_FILE_NAME=AM_B5_018_23S002SU0124_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-6EK76-PH-00 H-6EK76-PH-00 Batch:5 Run_Order=17; RAW_FILE_NAME=AM_B5_017_23S002SU0123_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-8CZF1-PH-00 H-8CZF1-PH-00 Batch:5 Run_Order=19; RAW_FILE_NAME=AM_B5_019_23S002SU0125_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-9K5J0-PH-00 H-9K5J0-PH-00 Batch:5 Run_Order=42; RAW_FILE_NAME=AM_B5_042_23S002SU0144_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-BGRT9-PH-00 H-BGRT9-PH-00 Batch:5 Run_Order=40; RAW_FILE_NAME=AM_B5_040_23S002SU0142_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-BU6E9-PH-00 H-BU6E9-PH-00 Batch:5 Run_Order=21; RAW_FILE_NAME=AM_B5_021_23S002SU0127_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-CG704-PH-00 H-CG704-PH-00 Batch:5 Run_Order=35; RAW_FILE_NAME=AM_B5_035_23S002SU0139_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-CJMW0-PH-00 H-CJMW0-PH-00 Batch:5 Run_Order=24; RAW_FILE_NAME=AM_B5_024_23S002SU0130_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-D2R10-PH-00 H-D2R10-PH-00 Batch:5 Run_Order=44; RAW_FILE_NAME=AM_B5_044_23S002SU0146_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-FLQM1-PH-00 H-FLQM1-PH-00 Batch:5 Run_Order=30; RAW_FILE_NAME=AM_B5_030_23S002SU0134_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_05_1 Batch:5 Run_Order=3; RAW_FILE_NAME=AM_B5_003_HHEAR_P1_20_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_05_2 Batch:5 Run_Order=5; RAW_FILE_NAME=AM_B5_005_HHEAR_P1_20_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_05_3 Batch:5 Run_Order=25; RAW_FILE_NAME=AM_B5_025_HHEAR_P1_20_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P1_20_05_4 Batch:5 Run_Order=45; RAW_FILE_NAME=AM_B5_045_HHEAR_P1_20_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_05_1 Batch:5 Run_Order=4; RAW_FILE_NAME=AM_B5_004_HHEAR_P2_50_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_05_2 Batch:5 Run_Order=6; RAW_FILE_NAME=AM_B5_006_HHEAR_P2_50_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_05_3 Batch:5 Run_Order=37; RAW_FILE_NAME=AM_B5_037_HHEAR_P2_50_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_ref HHEAR_P2_50_05_4 Batch:5 Run_Order=46; RAW_FILE_NAME=AM_B5_046_HHEAR_P2_50_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-JDQC6-PH-00 H-JDQC6-PH-00 Batch:5 Run_Order=31; RAW_FILE_NAME=AM_B5_031_23S002SU0135_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-K00C2-PH-00 H-K00C2-PH-00 Batch:5 Run_Order=28; RAW_FILE_NAME=AM_B5_028_23S002SU0132_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-K3CQ6-PH-00 H-K3CQ6-PH-00 Batch:5 Run_Order=43; RAW_FILE_NAME=AM_B5_043_23S002SU0145_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-MUPA1-PH-00 H-MUPA1-PH-00 Batch:5 Run_Order=33; RAW_FILE_NAME=AM_B5_033_23S002SU0137_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-P5AX2-PH-00 H-P5AX2-PH-00 Batch:5 Run_Order=27; RAW_FILE_NAME=AM_B5_027_23S002SU0131_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-S0393-PH-00 H-S0393-PH-00 Batch:5 Run_Order=20; RAW_FILE_NAME=AM_B5_020_23S002SU0126_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-SSV91-PH-00 H-SSV91-PH-00 Batch:5 Run_Order=22; RAW_FILE_NAME=AM_B5_022_23S002SU0128_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-UE817-PH-00 H-UE817-PH-00 Batch:5 Run_Order=29; RAW_FILE_NAME=AM_B5_029_23S002SU0133_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-VTVD1-PH-00 H-VTVD1-PH-00 Batch:5 Run_Order=23; RAW_FILE_NAME=AM_B5_023_23S002SU0129_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-WPVY3-PH-00 H-WPVY3-PH-00 Batch:5 Run_Order=39; RAW_FILE_NAME=AM_B5_039_23S002SU0141_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-XM2W0-PH-00 H-XM2W0-PH-00 Batch:5 Run_Order=36; RAW_FILE_NAME=AM_B5_036_23S002SU0140_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-YEZ27-PH-00 H-YEZ27-PH-00 Batch:5 Run_Order=32; RAW_FILE_NAME=AM_B5_032_23S002SU0136_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS HHEAR_H-YTAE7-PH-00 H-YTAE7-PH-00 Batch:5 Run_Order=34; RAW_FILE_NAME=AM_B5_034_23S002SU0138_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_05_1 Batch:5 Run_Order=7; RAW_FILE_NAME=AM_B5_007_NIST1958_1_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_05_2 Batch:5 Run_Order=8; RAW_FILE_NAME=AM_B5_008_NIST1958_2_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_05_3 Batch:5 Run_Order=9; RAW_FILE_NAME=AM_B5_009_NIST1958_3_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_05_4 Batch:5 Run_Order=51; RAW_FILE_NAME=AM_B5_051_NIST1958_4_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_05_5 Batch:5 Run_Order=52; RAW_FILE_NAME=AM_B5_052_NIST1958_5_EI; Biospecimen=Plasma SUBJECT_SAMPLE_FACTORS NIST 1958 NIST_P_1958_05_6 Batch:5 Run_Order=53; RAW_FILE_NAME=AM_B5_053_NIST1958_6_EI; Biospecimen=Plasma #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 the allocated randomized order, frozen plasma samples were thawed on ice and SP:SAMPLEPREP_SUMMARY analyzed in five analytical batches. Each batch consisted of a set of QA/QC SP:SAMPLEPREP_SUMMARY samples which included the HHEAR untargeted plasma pools 1 and 2, NIST standard SP:SAMPLEPREP_SUMMARY reference material (NIST 1958), and procedural blanks. Briefly, all samples were SP:SAMPLEPREP_SUMMARY prepared for analysis in 5 mL glass tubes by adding 20 μL of MS grade formic SP:SAMPLEPREP_SUMMARY acid to 100μL of plasma (or QA/QC sample or procedural blanks). Following this, SP:SAMPLEPREP_SUMMARY a 4:1 Hexane:Ethyl acetate solution spiked with 10 ng mL-1 of internal standard SP:SAMPLEPREP_SUMMARY was added as the extraction solvent and the samples vortexed. The samples were SP:SAMPLEPREP_SUMMARY then centrifuged and the supernatant transferred to a new glass tube containing SP:SAMPLEPREP_SUMMARY about 25 mg of dispersive SPE (dSPE) powder for water removal and extraction SP:SAMPLEPREP_SUMMARY cleanup. The tubes were then vigorously agitated for 5 min, centrifuged, and the SP:SAMPLEPREP_SUMMARY supernatant transferred to vials for GC-HRMS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY GC-MS CH:INSTRUMENT_NAME Thermo Trace 1310 CH:COLUMN_NAME Agilent DB5-MS (30m x 0.25mm, 0.25um) CH:COLUMN_TEMPERATURE The oven temperature gradient was set at an initial temperature of 50°C held CH:COLUMN_TEMPERATURE for 2.5 min, followed by ramp of 25°C/min to 180°C and held for 1 min and then CH:COLUMN_TEMPERATURE to 250°C at a rate of 6°C/min and then raised to 320°C at a rate of 10°C/min CH:COLUMN_TEMPERATURE and held for 15min CH:FLOW_GRADIENT none CH:FLOW_RATE none CH:SOLVENT_A none CH:SOLVENT_B none CH:CHROMATOGRAPHY_TYPE GC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE EI MS:MS_COMMENTS The Programmable Temperature Variable (PTV) inlet was maintained at an initial MS:MS_COMMENTS temperature of 60°C with a split flow of 20mL/min. During the injection phases MS:MS_COMMENTS the PTV inlet was raised to 300°C in 1 min at a rate of 2.5°C/sec. The He MS:MS_COMMENTS carrier gas flow was maintained at a constant flow of 1.5mL/min operated under MS:MS_COMMENTS vacuum compensation mode. The transfer line temperature was maintained at 310°C MS:MS_COMMENTS throughout the run. On the MS, the analytes were scanned across a scan range of MS:MS_COMMENTS 65-975 m/z at 60000 resolution (FWHM) with an automated gain control set to 1e6. MS:ION_MODE POSITIVE MS:MS_RESULTS_FILE ST002871_AN005183_Results.txt UNITS:abundance Has m/z:Yes Has RT:Yes RT units:Seconds #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS abundance MS_METABOLITE_DATA_START Samples Extraction Blank_01_1 Extraction Blank_01_2 Extraction Blank_01_3 Extraction Blank_01_4 Extraction Blank_01_5 Extraction Blank_01_6 H-2JWW7-PH-00 H-2JWX4-PH-00 H-2JX01-PH-00 H-2JX43-PH-00 H-2JXX3-PH-00 H-2JYK1-PH-00 H-2JYR6-PH-00 H-2JYY0-PH-00 H-2JZ25-PH-00 H-2JZ66-PH-00 H-2JZM6-PH-00 H-2JZN3-PH-00 H-2JZQ7-PH-00 H-2JZR5-PH-00 H-2K025-PH-00 H-2K058-PH-00 H-2K066-PH-00 H-2K082-PH-00 H-2K0G9-PH-00 H-2K0L8-PH-00 H-2K0M6-PH-00 H-2K462-PH-00 H-2K4D1-PH-00 H-2K4H3-PH-00 H-2K4P5-PH-00 H-2K4T6-PH-00 H-2K4U4-PH-00 H-2K538-PH-00 H-2K561-PH-00 H-6EDR4-PH-00 HHEAR_P1_20_01_1 HHEAR_P1_20_01_2 HHEAR_P1_20_01_3 HHEAR_P1_20_01_4 HHEAR_P2_50_01_1 HHEAR_P2_50_01_2 HHEAR_P2_50_01_3 HHEAR_P2_50_01_4 NIST_P_1958_01_1 NIST_P_1958_01_2 NIST_P_1958_01_3 NIST_P_1958_01_4 NIST_P_1958_01_5 NIST_P_1958_01_6 Extraction Blank_02_1 Extraction Blank_02_2 Extraction Blank_02_3 Extraction Blank_02_4 Extraction Blank_02_5 Extraction Blank_02_6 H-2K0V6-PH-00 H-2K0W4-PH-00 H-2K124-PH-00 H-2K132-PH-00 H-2K140-PH-00 H-2K157-PH-00 H-2K1B9-PH-00 H-2K1L7-PH-00 H-2K1V5-PH-00 H-2K215-PH-00 H-2K223-PH-00 H-2K264-PH-00 H-2K298-PH-00 H-2K2A0-PH-00 H-2K2B8-PH-00 H-2K2C6-PH-00 H-2K2G7-PH-00 H-2K2U6-PH-00 H-2K363-PH-00 H-2K3G6-PH-00 H-2K3H4-PH-00 H-2K3L5-PH-00 H-2K3Q4-PH-00 H-2K595-PH-00 H-2K5B5-PH-00 H-2K5G4-PH-00 H-2K5V1-PH-00 H-2K5W9-PH-00 H-2K5X6-PH-00 H-6EE15-PH-00 HHEAR_P1_20_02_1 HHEAR_P1_20_02_2 HHEAR_P1_20_02_3 HHEAR_P1_20_02_4 HHEAR_P2_50_02_1 HHEAR_P2_50_02_2 HHEAR_P2_50_02_3 HHEAR_P2_50_02_4 NIST_P_1958_02_1 NIST_P_1958_02_2 NIST_P_1958_02_3 NIST_P_1958_02_4 NIST_P_1958_02_5 NIST_P_1958_02_6 Extraction Blank_03_1 Extraction Blank_03_2 Extraction Blank_03_3 Extraction Blank_03_4 Extraction Blank_03_5 Extraction Blank_03_6 H-2K3U5-PH-00 H-2K3W1-PH-00 H-2K439-PH-00 H-2K454-PH-00 H-2K5Y4-PH-00 H-2K678-PH-00 H-2K694-PH-00 H-2K6A6-PH-00 H-2K6C2-PH-00 H-2K6L2-PH-00 H-2K6Q1-PH-00 H-2K6R9-PH-00 H-2K777-PH-00 H-2K7B3-PH-00 H-2K7J5-PH-00 H-2K7M9-PH-00 H-2K7P2-PH-00 H-2K7Q0-PH-00 H-2K7T3-PH-00 H-2K7V9-PH-00 H-2K7W7-PH-00 H-2K801-PH-00 H-2K843-PH-00 H-2K850-PH-00 H-2K884-PH-00 H-6DK03-PH-00 H-6DK52-PH-00 H-6DLS5-PH-00 H-6EBL9-PH-00 H-6EPB7-PH-00 HHEAR_P1_20_03_1 HHEAR_P1_20_03_2 HHEAR_P1_20_03_3 HHEAR_P1_20_03_4 HHEAR_P2_50_03_1 HHEAR_P2_50_03_2 HHEAR_P2_50_03_3 HHEAR_P2_50_03_4 NIST_P_1958_03_1 NIST_P_1958_03_2 NIST_P_1958_03_3 NIST_P_1958_03_4 NIST_P_1958_03_5 NIST_P_1958_03_6 Extraction Blank_04_1 Extraction Blank_04_2 Extraction Blank_04_3 Extraction Blank_04_4 Extraction Blank_04_5 Extraction Blank_04_6 H-6DNJ3-PH-00 H-6DP16-PH-00 H-6DQH5-PH-00 H-6DR89-PH-00 H-6DS21-PH-00 H-6DSF7-PH-00 H-6DT79-PH-00 H-6DU11-PH-00 H-6DUV0-PH-00 H-6DVA5-PH-00 H-6DW19-PH-00 H-6DWU0-PH-00 H-6DX67-PH-00 H-6DXR6-PH-00 H-6DZY8-PH-00 H-6E0X0-PH-00 H-6E2G6-PH-00 H-6E4G4-PH-00 H-6E4J7-PH-00 H-6E537-PH-00 H-6E958-PH-00 H-6EAW6-PH-00 H-6ECY9-PH-00 H-6ED08-PH-00 H-6EF89-PH-00 H-6EG88-PH-00 H-6EHT5-PH-00 H-6ELB1-PH-00 H-6ELQ8-PH-00 H-6EMA2-PH-00 HHEAR_P1_20_04_1 HHEAR_P1_20_04_2 HHEAR_P1_20_04_3 HHEAR_P1_20_04_4 HHEAR_P2_50_04_1 HHEAR_P2_50_04_2 HHEAR_P2_50_04_3 HHEAR_P2_50_04_4 NIST_P_1958_04_1 NIST_P_1958_04_2 NIST_P_1958_04_3 NIST_P_1958_04_4 NIST_P_1958_04_5 NIST_P_1958_04_6 Extraction Blank_05_1 Extraction Blank_05_2 Extraction Blank_05_3 Extraction Blank_05_4 Extraction Blank_05_5 Extraction Blank_05_6 H-4M3Q8-PH-00 H-6EJ85-PH-00 H-6EJL1-PH-00 H-6EK01-PH-00 H-6EK76-PH-00 H-8CZF1-PH-00 H-9K5J0-PH-00 H-BGRT9-PH-00 H-BU6E9-PH-00 H-CG704-PH-00 H-CJMW0-PH-00 H-D2R10-PH-00 H-FLQM1-PH-00 HHEAR_P1_20_05_1 HHEAR_P1_20_05_2 HHEAR_P1_20_05_3 HHEAR_P1_20_05_4 HHEAR_P2_50_05_1 HHEAR_P2_50_05_2 HHEAR_P2_50_05_3 HHEAR_P2_50_05_4 H-JDQC6-PH-00 H-K00C2-PH-00 H-K3CQ6-PH-00 H-MUPA1-PH-00 H-P5AX2-PH-00 H-S0393-PH-00 H-SSV91-PH-00 H-UE817-PH-00 H-VTVD1-PH-00 H-WPVY3-PH-00 H-XM2W0-PH-00 H-YEZ27-PH-00 H-YTAE7-PH-00 NIST_P_1958_05_1 NIST_P_1958_05_2 NIST_P_1958_05_3 NIST_P_1958_05_4 NIST_P_1958_05_5 NIST_P_1958_05_6 Factors Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:1 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:2 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:3 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:4 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 Batch:5 3-Hydroxybiphenyl 844772.0000 895972.0000 836246.0000 529386.0000 500105.0000 500831.0000 666270.0000 867567.0000 1125192.0000 3281978.0000 698144.0000 688743.0000 957636.0000 916152.0000 832827.0000 1176805.0000 971268.0000 758580.0000 1552037.0000 2769833.0000 1681110.0000 841200.0000 5640544.0000 2526665.0000 809913.0000 692270.0000 1648087.0000 1102923.0000 1307326.0000 855598.0000 2198222.0000 602045.0000 603215.0000 931573.0000 1227731.0000 1523310.0000 1488542.0000 1162205.0000 1172002.0000 1414508.0000 1417029.0000 3346050.0000 3432431.0000 3332151.0000 2654199.0000 2551389.0000 2555482.0000 1164750.0000 1090413.0000 732415.0000 646346.0000 576219.0000 7676.0000 747430.0000 376966.0000 2530717.0000 1867983.0000 3310125.0000 1057445.0000 3691564.0000 4047197.0000 718347.0000 415333.0000 1519075.0000 2412844.0000 1532648.0000 264153.0000 2125336.0000 2143249.0000 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606642.0000 3452634.0000 3903.5000 1787653.0000 1121342.0000 1099402.0000 1382624.0000 1030895.0000 1158699.0000 526655.0000 207292.0000 819670.0000 968661.0000 865201.0000 1504523.0000 431695.0000 904560.0000 556480.0000 761636.0000 849857.0000 513411.0000 401842.0000 1224721.0000 2141.0000 437867.0000 1558.0000 2413.0000 580253.0000 599680.0000 1807137.0000 690590.0000 151546.0000 1449.0000 897065.0000 945062.0000 926.0000 1042855.0000 1177031.0000 582425.0000 584389.0000 772705.0000 574963.0000 452458.0000 2064.5000 3748.5000 1336135.0000 1364632.0000 917310.0000 885624.0000 1015990.0000 1123.0000 1182.0000 1281.0000 379871.0000 49826.0000 1122947.0000 66493.0000 14650.0000 2773026.0000 761263.0000 332590.0000 991124.0000 488973.0000 1090193.0000 967229.0000 138564.0000 55010.0000 419851.0000 1352137.0000 259677.0000 934114.0000 510049.0000 591005.0000 123676.0000 665727.0000 419319.0000 368988.0000 628314.0000 520852.0000 166563.0000 904617.0000 95997.0000 51733.0000 546764.0000 484289.0000 1843807.0000 867329.0000 557864.0000 2307308.0000 1983724.0000 507621.0000 394267.0000 161056.0000 trans-Farnesol 306521.0000 187928.0000 216295.0000 39323.0000 71728770.0000 37452287.0000 90758413.0000 36958977.0000 7622193.0000 95417950.0000 17712131.0000 11097171.0000 11949474.0000 4862303.0000 1374418.0000 2900382.0000 5975820.0000 24051571.0000 10297157.0000 26549272.0000 9403557.0000 81864279.0000 24238389.0000 92282379.0000 63542683.0000 3870287.0000 6797832.0000 10566537.0000 5828534.0000 30488181.0000 17824148.0000 897648.0000 1182962.0000 393730.0000 100706882.0000 102642455.0000 101181431.0000 78797394.0000 90200005.0000 87300616.0000 79633433.0000 63605586.0000 108707256.0000 104687988.0000 102412864.0000 87855137.0000 75192742.0000 70327234.0000 58422.0000 45661.0000 6858.5000 3091928.0000 2459275.0000 453381.0000 1579454.0000 2493909.0000 371104.0000 5071.5000 2279145.0000 3552166.0000 407437.0000 3860602.0000 2739269.0000 5281854.0000 3698718.0000 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5114099.0000 3384720.0000 42169.0000 1224115.0000 2849121.0000 2124045.0000 7446185.0000 6229434.0000 2242.5000 234081.0000 2515992.0000 1778952.0000 795087.0000 1558.0000 586410.0000 601637.0000 2197.5000 936926.0000 488953.0000 2780023.0000 1182679.0000 4562083.0000 4261852.0000 47123.0000 4807933.0000 4370579.0000 3036827.0000 3235869.0000 2805099.0000 2473929.0000 1959118.0000 1803660.0000 3066646.0000 2892275.0000 2317653.0000 1973086.0000 1953372.0000 2167252.0000 591880.0000 1050721.0000 988380.0000 169925.0000 92295.0000 132442.0000 5325459.0000 17543802.0000 14161057.0000 1832512.0000 7325.0000 3792497.0000 1699945.0000 846192.0000 6005133.0000 5407998.0000 9524386.0000 2317657.0000 1449701.0000 9143398.0000 8034516.0000 7091500.0000 1840917.0000 3641173.0000 6318556.0000 2561486.0000 1019801.0000 3207972.0000 4996753.0000 6229373.0000 3841545.0000 5039524.0000 2348449.0000 12263323.0000 5345613.0000 8245440.0000 1623617.0000 3327342.0000 3424001.0000 6358693.0000 8649552.0000 7325685.0000 6750361.0000 1519555.0000 1143903.0000 1208698.0000 Tributyl phosphate 656459.0000 497013.0000 433337.0000 369789.0000 299788.0000 213874.0000 1052414.0000 887078.0000 263197.0000 838059.0000 644088.0000 652522.0000 315837.0000 393809.0000 321782.0000 372496.0000 346927.0000 895043.0000 703461.0000 602943.0000 683655.0000 729093.0000 655269.0000 973732.0000 276236.0000 389652.0000 659780.0000 190308.0000 411882.0000 704312.0000 430704.0000 244436.0000 313724.0000 397005.0000 382836.0000 331793.0000 317017.0000 249797.0000 539368.0000 934125.0000 1455776.0000 719969.0000 829679.0000 982163.0000 1437084.0000 1738051.0000 3573502.0000 3489324.0000 2813689.0000 2532988.0000 4483293.0000 5136447.0000 5476792.0000 4563681.0000 3189956.0000 3705003.0000 4711647.0000 3530575.0000 2625243.0000 3665368.0000 4491106.0000 3613378.0000 1600865.0000 3177782.0000 1895607.0000 2643257.0000 5421573.0000 3060179.0000 1684568.0000 2455914.0000 8158260.0000 5125372.0000 5150746.0000 4212364.0000 3376290.0000 3166054.0000 3532644.0000 385571.0000 385103.0000 376943.0000 281928.0000 4338303.0000 4301735.0000 3705864.0000 3398885.0000 3606225.0000 3524929.0000 3751280.0000 2610423.0000 2348601.0000 2019438.0000 2902559.0000 2784180.0000 2638184.0000 1655819.0000 967356.0000 1615219.0000 1348937.0000 2057857.0000 2119700.0000 1869960.0000 1607877.0000 1750343.0000 2289722.0000 1988777.0000 1178031.0000 867480.0000 940788.0000 1018068.0000 3223501.0000 2520703.0000 2222924.0000 2045803.0000 2335109.0000 3332585.0000 2162832.0000 2418332.0000 1079300.0000 1041929.0000 1355097.0000 1437504.0000 2172989.0000 2096319.0000 2014902.0000 2417065.0000 1735002.0000 439249.0000 481772.0000 429093.0000 306377.0000 2119818.0000 1801971.0000 1220821.0000 3649030.0000 3486524.0000 3781244.0000 1798127.0000 1229359.0000 1251670.0000 1451774.0000 2558500.0000 2765243.0000 469247.0000 947605.0000 2408115.0000 1911027.0000 1349389.0000 1416222.0000 2977591.0000 5440537.0000 3626591.0000 5308506.0000 1183244.0000 944783.0000 3538135.0000 2212680.0000 1123730.0000 1019054.0000 1822255.0000 743887.0000 1387660.0000 752409.0000 879445.0000 156649.0000 1632205.0000 293914.0000 1947542.0000 952226.0000 1412643.0000 1179497.0000 477337.0000 2456553.0000 1814118.0000 334285.0000 425003.0000 317718.0000 256509.0000 1580573.0000 1364687.0000 962385.0000 1027837.0000 1387718.0000 1368937.0000 1221915.0000 716672.0000 887270.0000 919543.0000 3126063.0000 3329359.0000 3429317.0000 1551618.0000 1586204.0000 1566401.0000 4863909.0000 11308712.0000 10136221.0000 22398800.0000 6987786.0000 14471275.0000 4648769.0000 3003336.0000 12121854.0000 3953582.0000 15761658.0000 3506443.0000 9312375.0000 231802.0000 244843.0000 251328.0000 232083.0000 7628825.0000 7240222.0000 5741900.0000 4558152.0000 7400697.0000 4549256.0000 4919747.0000 11498965.0000 13359261.0000 12842097.0000 7143607.0000 5240908.0000 6008266.0000 12546112.0000 14231541.0000 3700912.0000 3539124.0000 3314229.0000 1958199.0000 1822402.0000 1791779.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 3-Hydroxybiphenyl 170.07313 Benfuresate 206.13068 Bifenthrin 181.10162 Bioallethrin 177.12788 Bis(2-ethylhexyl) phthalate 279.15951 (-)-Camphor 265.25378 Carvone 93.07046 Citronellol 265.25378 Dicyclohexyl phthalate 167.03426 Dimethyl phthalate 261.14899 Fenazaquin 283.24255 Flamprop-isopropyl 123.04476 o,p'-DDE 315.93793 Permethrine 198.14087 Perthane 223.14863 Phthalimide 168.05737 Prallethrin 314.2973 Pyracarbolid 125.06033 Squalene 356.34436 Terbucarb 220.18254 Tetrahydrophthalimide 137.06036 Tralkoxydim 137.04773 trans-Farnesol 382.35998 Tributyl phosphate 155.04736 METABOLITES_END #END