{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001692","ANALYSIS_ID":"AN002762","VERSION":"1","CREATED_ON":"February 11, 2021, 2:24 pm"},

"PROJECT":{"PROJECT_TITLE":"A prospective study of critical environmental exposures in formative early life that impact lifelong health in rural US children: The New Hampshire Birth Cohort study","PROJECT_SUMMARY":"Major gaps exist in our knowledge of the health impacts of widespread and dramatically expanding exposures among children in the US. Children from rural regions are particularly understudied but may experience higher exposures to contaminants by drinking unregulated water; from household air pollution from wood stoves; and consequent to their rural and changing landscape (e.g., from climate change). This study aims to investigate new hypotheses and contribute critical exposomic data to address major gaps in our knowledge about early life environmental influences on child health and development in a rural US pregnancy cohort. As part of the ECHO Pediatric Cohorts, we are working with the NIEHS/EPA-supported New Hampshire Birth Cohort Study (NHBCS): a rural, ongoing pregnancy cohort that has accrued over 1,500 maternal-infant dyads with planned expansion to include 3,000 maternal-infant pairs. The study aims to: 1. Leverage the extant NHBCS to perform targeted and unsupervised metabolomic analyses of 1,000 cord blood samples and 250 paired maternal gestational blood samples, and assess associations with exposures, early growth, and the infant microbiome; 2. Expand data acquisition, sample collection and participant accrual to more precisely characterize exposures and timing of early life exposures; and 3. Extend follow-up to identify childhood exposures to contaminants (; the home environment; and medical exposures that relate to fetal and childhood growth, childhood obesity, and childhood respiratory infection, asthma, and pulmonary function. Additionally, novel statistical approaches will be used to determine the role of the intestinal and salivary microbiome as mediators of these effects. The collective expertise, methodologies, data, samples and preliminary results from this study will contribute to the planning of the broader ECHO Pediatric Cohorts initiative in order to advance our understanding of the environmental factors early in life that drive childhood and lifelong health.","INSTITUTE":"Dartmouth College","LAST_NAME":"Romano","FIRST_NAME":"Megan","ADDRESS":"One Medical Center Drive, Hinman Box 7927, Lebanon, NH, 03756","EMAIL":"megan.e.romano@dartmouth.edu","PHONE":"603-650-1837","FUNDING_SOURCE":"National Institute of Environmental Health and Science (NIEHS), P42 ES007373; P20 ES018175/RD-83459901; P01 ES022832/RD 83544201; 4UH3OD023275","CONTRIBUTORS":"Megan Romano, Rachel Criswell, Magaret Karagas, Douglas Walker"},

"STUDY":{"STUDY_TITLE":"Perfluoroalkyl substances and lipid composition in human milk","STUDY_TYPE":"CHEAR Study","STUDY_SUMMARY":"PFAS are widely used in commercial products, and so humans have consistent exposure to them via oil- and water-resistant consumer products, fire- fighting foam, and industrial surfactants 1,2. The four PFASs commonly detected in blood, perfluorooctanoic acid (PFOA), perfluorooctane sulfonate (PFOS), perfluorononanoic acid (PFNA), and perfluorohexane sulfonate (PFHxS) 3,4, are present in drinking water supplies both in northern New England as well as in 27 states nationally 5-8. Animal models shows that PFASs have can have effects on both the endocrine system and on adiposity 9-12. Epidemiological evidence shows that the presence of PFASs in maternal serum is associated with changes in maternal serum lipid and cholesterol composition 13,14. Similarly, serum levels of PFAS in adolescents have been associated with increases in serum cholesterol 15. These findings raise interesting questions about the association of PFAS and lipids in human milk. Research has shown the PFASs are present in human milk 16-18, and human milk is composed primarily of lipids 19. However, the relation between PFAS in milk and milk composition is unclear. The chemical and compositional profiles of breast milk are important because of the potential effects on the developing infant. The developmental origins of health and disease hypothesis suggests that early life exposures, such as toxins and nutrients via breast milk, have lasting effects on health, particularly obesity outcomes 20. In fact, some studies have shown associations between PFAS in maternal serum and infant birth weight and later childhood BMI 14,21. Our study will help to better illuminate the potential effects of maternal exposure to PFASs on infant exposure, both through direct transmission into breast milk and indirectly via influence on the lipid profiles of milk. To investigate how early life exposure to perfluoroalkyl substances (PFAS) may affect childhood health outcomes as mediated through breast milk, we propose the following specific aims: 1. Characterize the levels of PFAS in breast milk samples (n=495) in the NHBCS; 2. Characterize the lipid profiles of breast milk samples (n=495) in the NHBCS; 3. Test the relation between PFAS concentration and breast milk lipid profiles; and 4. Test the association between PFAS concentrations in maternal plasma collected during pregnancy with paired breast milk samples (n=100).","INSTITUTE":"Icahn School of Medicine at Mount Sinai","DEPARTMENT":"Department of Environmental Medicine and Public Health","LABORATORY":"Mount Sinai CHEAR Untargeted Laboratory Hub","LAST_NAME":"Walker","FIRST_NAME":"Douglas","ADDRESS":"Atran Building RM AB3-39, 1428 Madison Ave","EMAIL":"douglas.walker@mssm.edu","PHONE":"212-241-9891"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"LC-MS grade water",
"Sample ID":"Water_HRE0010_01_001",
"Factors":{"Class":"Water_blank"},
"Additional sample data":{"Batch":"1","Run_order":"1","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_001;HRE_HFX_20200923_HRE0010_002"}
},
{
"Subject ID":"LC-MS grade water",
"Sample ID":"Water_HRE0010_01_002",
"Factors":{"Class":"Water_blank"},
"Additional sample data":{"Batch":"1","Run_order":"2","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_003;HRE_HFX_20200923_HRE0010_004"}
},
{
"Subject ID":"NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk",
"Sample ID":"NIST1953_HRE0010_01_001",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"1","Run_order":"3","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_005;HRE_HFX_20200923_HRE0010_006"}
},
{
"Subject ID":"NIST SRM 1954; Organic Contaminants in Fortified Human Milk",
"Sample ID":"NIST1954_HRE0010_01_002",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"1","Run_order":"4","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_007;HRE_HFX_20200923_HRE0010_008"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23ZQ8-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"5","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_009;HRE_HFX_20200923_HRE0010_010"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-240M7-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"6","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_011;HRE_HFX_20200923_HRE0010_012"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-242D4-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"7","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_013;HRE_HFX_20200923_HRE0010_014"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23NU1-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"8","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_015;HRE_HFX_20200923_HRE0010_016"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-242R4-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"9","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_017;HRE_HFX_20200923_HRE0010_018"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23ZB1-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"10","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_019;HRE_HFX_20200923_HRE0010_020"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23N77-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"11","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_021;HRE_HFX_20200923_HRE0010_022"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23NN6-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"12","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_023;HRE_HFX_20200923_HRE0010_024"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23DX4-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"13","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_025;HRE_HFX_20200923_HRE0010_026"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23AW0-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"14","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_027;HRE_HFX_20200923_HRE0010_028"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23B38-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"15","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_029;HRE_HFX_20200923_HRE0010_030"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23BP4-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"16","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_031;HRE_HFX_20200923_HRE0010_032"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23TY6-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"17","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_033;HRE_HFX_20200923_HRE0010_034"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-241J2-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"18","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_035;HRE_HFX_20200923_HRE0010_036"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23LT5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"19","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_037;HRE_HFX_20200923_HRE0010_038"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23AK6-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"20","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_039;HRE_HFX_20200923_HRE0010_040"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23R24-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"21","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_041;HRE_HFX_20200923_HRE0010_042"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23VL3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"22","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_043;HRE_HFX_20200923_HRE0010_044"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23DS5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"23","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_045;HRE_HFX_20200923_HRE0010_046"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23ZJ3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"24","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_047;HRE_HFX_20200923_HRE0010_048"}
},
{
"Subject ID":"NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk",
"Sample ID":"NIST1953_HRE0010_01_003",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"1","Run_order":"25","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_049;HRE_HFX_20200923_HRE0010_050"}
},
{
"Subject ID":"NIST SRM 1954; Organic Contaminants in Fortified Human Milk",
"Sample ID":"NIST1954_HRE0010_01_004",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"1","Run_order":"26","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_051;HRE_HFX_20200923_HRE0010_052"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23RB9-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"27","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_053;HRE_HFX_20200923_HRE0010_054"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23SE1-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"28","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_055;HRE_HFX_20200923_HRE0010_056"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-240A3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"29","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_057;HRE_HFX_20200923_HRE0010_058"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23HD4-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"30","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_059;HRE_HFX_20200923_HRE0010_060"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-24109-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"31","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_061;HRE_HFX_20200923_HRE0010_062"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23YP1-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"32","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_063;HRE_HFX_20200923_HRE0010_064"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23Z00-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"33","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_065;HRE_HFX_20200923_HRE0010_066"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23U05-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"34","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_067;HRE_HFX_20200923_HRE0010_068"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23MJ6-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"35","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_069;HRE_HFX_20200923_HRE0010_070"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23YR7-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"36","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_071;HRE_HFX_20200923_HRE0010_072"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23VV1-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"37","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_073;HRE_HFX_20200923_HRE0010_074"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-243W2-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"38","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_075;HRE_HFX_20200923_HRE0010_076"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23TN0-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"39","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_077;HRE_HFX_20200923_HRE0010_078"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23QL8-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"40","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_079;HRE_HFX_20200923_HRE0010_080"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23N93-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"41","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_081;HRE_HFX_20200923_HRE0010_082"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23PJ3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"42","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_083;HRE_HFX_20200923_HRE0010_084"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23UJ8-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"43","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_085;HRE_HFX_20200923_HRE0010_086"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23WF5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"44","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_087;HRE_HFX_20200923_HRE0010_088"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23ZM7-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"45","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_089;HRE_HFX_20200923_HRE0010_090"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-241B0-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"46","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_091;HRE_HFX_20200923_HRE0010_092"}
},
{
"Subject ID":"NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk",
"Sample ID":"NIST1953_HRE0010_01_005",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"1","Run_order":"47","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_093;HRE_HFX_20200923_HRE0010_094"}
},
{
"Subject ID":"NIST SRM 1954; Organic Contaminants in Fortified Human Milk",
"Sample ID":"NIST1954_HRE0010_01_006",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"1","Run_order":"48","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_095;HRE_HFX_20200923_HRE0010_096"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-241U8-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"49","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_097;HRE_HFX_20200923_HRE0010_098"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23TU5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"50","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_099;HRE_HFX_20200923_HRE0010_100"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-240B1-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"51","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_101;HRE_HFX_20200923_HRE0010_102"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23BJ7-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"52","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_103;HRE_HFX_20200923_HRE0010_104"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23WG3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"53","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_105;HRE_HFX_20200923_HRE0010_106"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-242X0-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"54","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_107;HRE_HFX_20200923_HRE0010_108"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23VC3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"55","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_109;HRE_HFX_20200923_HRE0010_110"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-242B9-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"56","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_111;HRE_HFX_20200923_HRE0010_112"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23ZS3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"57","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_113;HRE_HFX_20200923_HRE0010_114"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23QC8-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"58","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_115;HRE_HFX_20200923_HRE0010_116"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23RD4-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"59","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_117;HRE_HFX_20200923_HRE0010_118"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23M52-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"60","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_119;HRE_HFX_20200923_HRE0010_120"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23V53-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"61","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_121;HRE_HFX_20200923_HRE0010_122"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23WM0-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"62","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_123;HRE_HFX_20200923_HRE0010_124"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-241V6-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"63","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_125;HRE_HFX_20200923_HRE0010_126"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23J89-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"64","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_127;HRE_HFX_20200923_HRE0010_128"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23AT6-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"65","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_129;HRE_HFX_20200923_HRE0010_130"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23J97-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"66","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_131;HRE_HFX_20200923_HRE0010_132"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23G17-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"1","Run_order":"67","RAW_FILE_NAME":"HRE_HFX_20200923_HRE0010_133;HRE_HFX_20200923_HRE0010_134"}
},
{
"Subject ID":"Breast_Milk",
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"Subject ID":"NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk",
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"Subject ID":"NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk",
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"Sample ID":"C-23EJ4-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"465","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_009;HRE_HFX_20200929_HRE0010_010"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23W78-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"466","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_011;HRE_HFX_20200929_HRE0010_012"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23XU1-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"467","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_013;HRE_HFX_20200929_HRE0010_014"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23UY5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"468","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_015;HRE_HFX_20200929_HRE0010_016"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23KC4-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"469","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_017;HRE_HFX_20200929_HRE0010_018"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23NY2-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"470","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_019;HRE_HFX_20200929_HRE0010_020"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23KY5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"471","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_021;HRE_HFX_20200929_HRE0010_022"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23BC3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"472","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_023;HRE_HFX_20200929_HRE0010_024"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23JK7-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"473","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_025;HRE_HFX_20200929_HRE0010_026"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23UW0-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"474","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_027;HRE_HFX_20200929_HRE0010_028"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23VW9-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"475","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_029;HRE_HFX_20200929_HRE0010_030"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23U62-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"476","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_031;HRE_HFX_20200929_HRE0010_032"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23HW3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"477","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_033;HRE_HFX_20200929_HRE0010_034"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23RR4-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"478","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_035;HRE_HFX_20200929_HRE0010_036"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23BK5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"479","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_037;HRE_HFX_20200929_HRE0010_038"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23AM2-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"480","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_039;HRE_HFX_20200929_HRE0010_040"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-24422-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"481","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_041;HRE_HFX_20200929_HRE0010_042"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23NK3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"482","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_043;HRE_HFX_20200929_HRE0010_044"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23LM1-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"483","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_045;HRE_HFX_20200929_HRE0010_046"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23X10-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"484","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_047;HRE_HFX_20200929_HRE0010_048"}
},
{
"Subject ID":"NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk",
"Sample ID":"NIST1953_HRE0010_06_003",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"6","Run_order":"485","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_049;HRE_HFX_20200929_HRE0010_050"}
},
{
"Subject ID":"NIST SRM 1954; Organic Contaminants in Fortified Human Milk",
"Sample ID":"NIST1954_HRE0010_06_004",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"6","Run_order":"486","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_051;HRE_HFX_20200929_HRE0010_052"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-241P9-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"487","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_053;HRE_HFX_20200929_HRE0010_054"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23CX5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"488","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_055;HRE_HFX_20200929_HRE0010_056"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23HQ6-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"489","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_057;HRE_HFX_20200929_HRE0010_058"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23NJ5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"490","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_059;HRE_HFX_20200929_HRE0010_060"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23G90-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"491","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_061;HRE_HFX_20200929_HRE0010_062"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23JA9-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"492","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_063;HRE_HFX_20200929_HRE0010_064"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23PL9-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"493","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_065;HRE_HFX_20200929_HRE0010_066"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-242G8-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"494","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_067;HRE_HFX_20200929_HRE0010_068"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23U54-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"495","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_069;HRE_HFX_20200929_HRE0010_070"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23Z83-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"496","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_071;HRE_HFX_20200929_HRE0010_072"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23AQ3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"497","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_073;HRE_HFX_20200929_HRE0010_074"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23FU9-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"498","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_075;HRE_HFX_20200929_HRE0010_076"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23XK3-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"499","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_077;HRE_HFX_20200929_HRE0010_078"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23YV8-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"500","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_079;HRE_HFX_20200929_HRE0010_080"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23Q09-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"501","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_081;HRE_HFX_20200929_HRE0010_082"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23NM9-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"502","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_083;HRE_HFX_20200929_HRE0010_084"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23G66-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"503","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_085;HRE_HFX_20200929_HRE0010_086"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23MS6-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"504","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_087;HRE_HFX_20200929_HRE0010_088"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23LX6-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"505","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_089;HRE_HFX_20200929_HRE0010_090"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23BE8-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"506","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_091;HRE_HFX_20200929_HRE0010_092"}
},
{
"Subject ID":"NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk",
"Sample ID":"NIST1953_HRE0010_06_005",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"6","Run_order":"507","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_093;HRE_HFX_20200929_HRE0010_094"}
},
{
"Subject ID":"NIST SRM 1954; Organic Contaminants in Fortified Human Milk",
"Sample ID":"NIST1954_HRE0010_06_006",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"6","Run_order":"508","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_095;HRE_HFX_20200929_HRE0010_096"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23C94-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"509","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_097;HRE_HFX_20200929_HRE0010_098"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23YE5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"510","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_099;HRE_HFX_20200929_HRE0010_100"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23SF9-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"511","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_101;HRE_HFX_20200929_HRE0010_102"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23GU8-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"512","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_103;HRE_HFX_20200929_HRE0010_104"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23K88-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"513","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_105;HRE_HFX_20200929_HRE0010_106"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23AG5-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"514","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_107;HRE_HFX_20200929_HRE0010_108"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23S15-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"515","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_109;HRE_HFX_20200929_HRE0010_110"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23YW6-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"516","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_111;HRE_HFX_20200929_HRE0010_112"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23RY8-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"517","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_113;HRE_HFX_20200929_HRE0010_114"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23Y50-BR-00",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"518","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_115;HRE_HFX_20200929_HRE0010_116"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23TP6-BR-00_2",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"519","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_117;HRE_HFX_20200929_HRE0010_118"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23S72-BR-00_2",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"520","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_119;HRE_HFX_20200929_HRE0010_120"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-242N2-BR-00_2",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"521","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_121;HRE_HFX_20200929_HRE0010_122"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23ZA3-BR-00_2",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"522","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_123;HRE_HFX_20200929_HRE0010_124"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23EY1-BR-00_2",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"523","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_125;HRE_HFX_20200929_HRE0010_126"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23RF0-BR-00_2",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"524","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_127;HRE_HFX_20200929_HRE0010_128"}
},
{
"Subject ID":"Breast_Milk",
"Sample ID":"C-23MU2-BR-00_2",
"Factors":{"Class":"Study_Sample"},
"Additional sample data":{"Batch":"6","Run_order":"525","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_129;HRE_HFX_20200929_HRE0010_130"}
},
{
"Subject ID":"NIST SRM 1953; Organic Contaminants in Non-Fortified Human Milk",
"Sample ID":"NIST1953_HRE0010_06_007",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"6","Run_order":"526","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_131;HRE_HFX_20200929_HRE0010_132"}
},
{
"Subject ID":"NIST SRM 1954; Organic Contaminants in Fortified Human Milk",
"Sample ID":"NIST1954_HRE0010_06_008",
"Factors":{"Class":"QAQC"},
"Additional sample data":{"Batch":"6","Run_order":"527","RAW_FILE_NAME":"HRE_HFX_20200929_HRE0010_133;HRE_HFX_20200929_HRE0010_134"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The study includes archived biological samples collected during pregnancy (maternal blood, urine, and hair), birth (infant cord blood, placenta, and meconium), and childhood (urine, blood, buccal cells, breast milk, toenails, and stool), and further health outcomes are being assessed through DNA methylation arrays, gene expression, microbiome sequencing, metabolomics and flow cytometry of these samples. Breast milk samples were collected at home by study participants from unsterilized bilateral breasts, with separate study-provided sterile collection bottles used for milk from each breast. To capture a representative portrait of infant exposure during breastfeeding we did not use a sterile collection protocol. Subjects provided a minimum of 18 mL and up to 80 mL of milk from each breast, with a median of 35 mL per breast. Samples were stored in the refrigerator at participants homes for up to approximately 1 day, brought in cold packs to the postpartum follow-up appointment (between 3.7 and 12 weeks after delivery), and immediately chilled. Samples were processed within 24 h of receipt. Samples were stored at -80C until analysis","SAMPLE_TYPE":"Breast milk","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Study subjects were from the New Hampshire Birth Cohort Study (NHBCS). Eligible participants for this birth cohort are pregnant women between the ages of 18 and 45 years who report using a private well for their home water source and are receiving prenatal care in clinics in New Hampshire, United States, as previously described (Gilbert-Diamond et al., 2011; Farzan et al., 2013). Subjects were recruited between approximately 24 and 28 weeks of gestation at routine prenatal visits. The Center for the Protection of Human Subjects at Dartmouth gave institutional review board approval, and all methods were performed according to guidelines. All subjects gave written informed consent for participation for themselves and their infants. The study is observational, and no treatment occurred."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Prior to sample preparation, breast milk samples were thawed on ice and then vortexed thoroughly to prevent separation of lipid-rich and aqueous phases. Extracts were prepared by treating 75μL of breastmilk sample with 150μL of LC-MS grade acetonitrile containing a series of XX 13C-labelled internal standards (listed below), vortexed, and allowed to equilibrate at 4C for 30 minutes. The extract was then centrifuged for 10 mins at 18,1000 x g and 4C, and 50μL of extract was transferred to an LC autosampler vial containing 50μL of water and placed in a refrigerated autosampler until analysis. Following the same protocol, for each batch matrix blank (replacing the breast milk with H2O) and multiple QAQC samples were extracted. Internal standards used include [13C3]-Cortisol, [13C6]-NNAL, [trimethyl-13C3]-caffeine, [13C8]-PFOA, [13C8]-PFOS, [13C5]-L-methionine, [13C3]-Cotinine, [13C9, 15N]-L-tyrosine, [13C5, 15N]-L-glutamic acid, [13C3]-glyphosate, [13C6]-D-glucose, [13C9]-PFNA, [13C6]-PFHxA, [13C6]-PFHxS, [13C9]-PFDeA and [13C9]-PFUDeA, and were added at levels comparable to those in human plasma samples.","PROCESSING_STORAGE_CONDITIONS":"4℃","EXTRACTION_METHOD":"Protein precipitation with acetontrile."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Sample extracts were analyzed using an ultra-high performance liquid chromatography (UHPLC) equipped with dual pumps for both C18-pos and C18-negative analysis uysing a Thermo Scientific Vanquish Duo LC interfaced to a Thermo Scientific Q-Exactive HFX with electrospray ionization source operated in positive mode. Samples were maintained at 4C in the autosampler module. For C18-pos separation, 5 uL of sample was injected onto a C18 columns (50 mm × 2.1 mm, 5 µm particle size, Higgins Analytical Inc) maintained at 30C. Separation occurred using Mobile phase A consisted of water with 0.1% formic acid and Mobile phase B consisted of Acetonitrile with 0.1% formic acid. Flow rate was held at at 0.4 ml/min for 1.5 mins, and increased to 0.5 ml/min. Solvent gradients were as follows: 85% solvent A, hold for 1.5 min; linear decrease to 5% solvent A at 5 minutes; hold for 2.5 min, for a total run time of 7.5 min Data was acquired with a mass range of 85-1275 m/z.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Higgins Analytical Targa C18 (50 mm × 2.1 mm, 5 µm)","FLOW_RATE":"0.4-0.5 mL/min","COLUMN_TEMPERATURE":"30C","SOLVENT_A":"Water with 0.1% formic acid","SOLVENT_B":"Acetonitrile with 0.1% formic acid","ANALYTICAL_TIME":"7.5 min"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"High Resolution Exposomics Laboratory","PROCESSING_PARAMETERS_FILE":"apLCMSv6.6.8_runscript_c18-pos_HRE0010_02Dec2020.r; xMSanalyzer_v2.0.8_HRE0010-C18pos_18Dec2020.r","DATA_FORMAT":".RAW"},

"MS":{"INSTRUMENT_NAME":"Thermo Q-Exactive HFX","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Analysis was performed for all batches in each mode. Database dependent targeted identification: Metabolites were identified based upon in-house database matching considering retention time, accurate mass, and MSMS matching (when available) matching with pure standards analyzed under the same conditions. Untargeted feature tables were generated by converting .RAW files to mzXML, and extracted using apLCMS at 5 different peak detection parameters. The resulting tables were merged using xMSanalyzer to remove redundant peaks, and batch corrected using ComBAT. All scripts for data extraction are included in the raw datafile uploads.","CAPILLARY_TEMPERATURE":"300","CAPILLARY_VOLTAGE":"35 (S-Lens RF)","DRY_GAS_FLOW":"45","IONIZATION":"Postive","SOURCE_TEMPERATURE":"250","SPRAY_VOLTAGE":"3500","MS_RESULTS_FILE":"ST001692_AN002762_Results.txt UNITS:Peak intensity Has m/z:Yes Has RT:Yes RT units:Seconds"},

"MS_METABOLITE_DATA":{
"Units":"Peak intensity",

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times":"26.2"},{"Metabolite":"Uridine-5-Monophosphate","MatchCategory":"Unique","theoretical m_z":"325.043176","delta_ppm":"1.16","Formula":"C9H13N2O9P","MonoisotopicMass":"324.0359","Adduct":"M+H","quantified mz":"325.0428","retention times":"27.9"},{"Metabolite":"Adenosine monophosphate","MatchCategory":"Unique","theoretical m_z":"348.070376","delta_ppm":"0.51","Formula":"C10H14N5O7P","MonoisotopicMass":"347.0631","Adduct":"M+H","quantified mz":"348.0702","retention times":"27.4"},{"Metabolite":"Guanosine monophosphate","MatchCategory":"Unique","theoretical m_z":"364.065276","delta_ppm":"1.58","Formula":"C10H14N5O8P","MonoisotopicMass":"363.058","Adduct":"M+H","quantified mz":"364.0647","retention times":"31"},{"Metabolite":"Sorbate","MatchCategory":"Unique","theoretical m_z":"113.059676","delta_ppm":"0.67","Formula":"C6H8O2","MonoisotopicMass":"112.0524","Adduct":"M+H","quantified mz":"113.0596","retention times":"26.4"},{"Metabolite":"Ethanolamine Phosphate","MatchCategory":"Unique","theoretical m_z":"142.026376","delta_ppm":"0.17","Formula":"C2H8NO4P","MonoisotopicMass":"141.0191","Adduct":"M+H","quantified mz":"142.0264","retention times":"29.9"},{"Metabolite":"Tartaric acid","MatchCategory":"Unique","theoretical m_z":"151.023676","delta_ppm":"3.47","Formula":"C4H6O6","MonoisotopicMass":"150.0164","Adduct":"M+H","quantified mz":"151.0242","retention times":"314.9"},{"Metabolite":"Aminohydroxybenzoate","MatchCategory":"Unique","theoretical m_z":"154.049876","delta_ppm":"0.16","Formula":"C7H7NO3","MonoisotopicMass":"153.0426","Adduct":"M+H","quantified mz":"154.0499","retention times":"26.2"},{"Metabolite":"Methylhippurate","MatchCategory":"Unique","theoretical m_z":"194.081176","delta_ppm":"0.12","Formula":"C10H11NO3","MonoisotopicMass":"193.0739","Adduct":"M+H","quantified mz":"194.0812","retention times":"24.1"},{"Metabolite":"Indoxyl sulfate","MatchCategory":"Unique","theoretical m_z":"214.016876","delta_ppm":"1.05","Formula":"C8H7NO4S","MonoisotopicMass":"213.0096","Adduct":"M+H","quantified mz":"214.0171","retention times":"381.4"},{"Metabolite":"Pirimicarb","MatchCategory":"Multiple","theoretical m_z":"239.149276","delta_ppm":"2.83","Formula":"C11H18N4O2","MonoisotopicMass":"238.142","Adduct":"M+H","quantified mz":"239.1486","retention times":"190.3"},{"Metabolite":"Diisopropylphthalate","MatchCategory":"Multiple","theoretical m_z":"251.127776","delta_ppm":"0.7","Formula":"C14H18O4","MonoisotopicMass":"250.1205","Adduct":"M+H","quantified mz":"251.1276","retention times":"264.6"},{"Metabolite":"Nicotinamide (B3)","MatchCategory":"Unique","theoretical m_z":"123.055276","delta_ppm":"0.62","Formula":"C6H6N2O","MonoisotopicMass":"122.048","Adduct":"M+H","quantified mz":"123.0552","retention times":"22.7"},{"Metabolite":"Nicotinate (B3)","MatchCategory":"Unique","theoretical m_z":"124.039276","delta_ppm":"0.19","Formula":"C6H5NO2","MonoisotopicMass":"123.032","Adduct":"M+H","quantified mz":"124.0393","retention times":"22.7"},{"Metabolite":"1-Methylnicotinamide","MatchCategory":"Multiple","theoretical m_z":"137.070976","delta_ppm":"0.18","Formula":"C7H8N2O","MonoisotopicMass":"136.0637","Adduct":"M+H","quantified mz":"137.071","retention times":"20.9"},{"Metabolite":"Hydroxynicotinate","MatchCategory":"Multiple","theoretical m_z":"140.034176","delta_ppm":"0.17","Formula":"C6H5NO3","MonoisotopicMass":"139.0269","Adduct":"M+H","quantified mz":"140.0342","retention times":"25.9"},{"Metabolite":"Pyridoxal (B6)","MatchCategory":"Unique","theoretical m_z":"168.065476","delta_ppm":"0.14","Formula":"C8H9NO3","MonoisotopicMass":"167.0582","Adduct":"M+H","quantified mz":"168.0655","retention times":"21.5"},{"Metabolite":"Pyridoxamine","MatchCategory":"Multiple","theoretical m_z":"169.097176","delta_ppm":"0.45","Formula":"C8H12N2O2","MonoisotopicMass":"168.0899","Adduct":"M+H","quantified mz":"169.0971","retention times":"25.7"},{"Metabolite":"Pyridoxine (B6)","MatchCategory":"Multiple","theoretical m_z":"170.081176","delta_ppm":"0.14","Formula":"C8H11NO3","MonoisotopicMass":"169.0739","Adduct":"M+H","quantified mz":"170.0812","retention times":"25.7"},{"Metabolite":"Vitamin C (Ascorbate)","MatchCategory":"Multiple","theoretical m_z":"177.039376","delta_ppm":"0.43","Formula":"C6H8O6","MonoisotopicMass":"176.0321","Adduct":"M+H","quantified mz":"177.0393","retention times":"24.4"},{"Metabolite":"Pyridoxate","MatchCategory":"Multiple","theoretical m_z":"184.060476","delta_ppm":"0.96","Formula":"C8H9NO4","MonoisotopicMass":"183.0532","Adduct":"M+H","quantified mz":"184.0603","retention times":"25.3"},{"Metabolite":"Pantothenic acid (B5)","MatchCategory":"Unique","theoretical m_z":"220.117976","delta_ppm":"1.25","Formula":"C9H17NO5","MonoisotopicMass":"219.1107","Adduct":"M+H","quantified mz":"220.1177","retention times":"25.9"},{"Metabolite":"Thiamine (B1)","MatchCategory":"Unique","theoretical m_z":"265.111776","delta_ppm":"0.66","Formula":"C12H17N4OS","MonoisotopicMass":"264.1045","Adduct":"M+H","quantified mz":"265.1116","retention times":"18.1"},{"Metabolite":"Menatetrenone - Vitamin MK4","MatchCategory":"Unique","theoretical m_z":"445.310076","delta_ppm":"4.32","Formula":"C31H40O2","MonoisotopicMass":"444.3028","Adduct":"M+H","quantified mz":"445.312","retention times":"310.2"},{"Metabolite":"Flavin adenine dinucleotide (FAD)","MatchCategory":"Unique","theoretical m_z":"786.164376","delta_ppm":"1.05","Formula":"C27H33N9O15P2","MonoisotopicMass":"785.1571","Adduct":"M+H","quantified mz":"786.1652","retention times":"401.4"}]
}

}