{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002501","ANALYSIS_ID":"AN004110","VERSION":"1","CREATED_ON":"01-29-2024"},

"PROJECT":{"PROJECT_TITLE":"The ECHO Cohort Exposome: First Steps using HHEAR Analysis – An Opportunity for ALL ECHO Cohorts to Contribute Type A Samples – Untargeted Analysis (ReCHARGE Cohort)","PROJECT_TYPE":"C18 Reversed-Phase Broad Spectrum Metabolomics","PROJECT_SUMMARY":"This project was funded by the NIH Environmental influences on Child Health Outcomes (ECHO) Program. Untargeted metabolomics profiling data was acquired from urine samples provided by 14 ECHO cohorts.","INSTITUTE":"NC HHEAR Hub","DEPARTMENT":"Untargeted Analysis","LABORATORY":"Sumner Lab","LAST_NAME":"Rushing","FIRST_NAME":"Blake","ADDRESS":"Nutrition Research Institute, UNC-CH, 500 Laureate Way, Kannapolis, NC 28081","EMAIL":"blake_rushing@unc.edu","PHONE":"(704) 282-9838","FUNDING_SOURCE":"This research was supported by the Environmental influences on Child Health Outcomes (ECHO) program, Office of The Director, National Institutes of Health. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. The ReCHARGE ECHO Cohort is supported by the following ECHO Program Collaborators: ECHO Coordinating Center: Duke Clinical Research Institute, Durham, North Carolina: Smith PB, Newby KL, Benjamin DK; U2C OD023375; ECHO Data Analysis Center: Johns Hopkins University Bloomberg School of Public Health, Baltimore, Maryland: Jacobson LP; Research Triangle Institute, Durham, North Carolina: Catellier D; U24 OD023382; North Carolina Human Health Exposure Analysis Resource Hub: Research Triangle Institute: Fennell T, University of North Carolina at Chapel Hill: Sumner S, University of North Carolina at Charlotte: Du X; U2C ES030857; Human Health Exposure Analysis Resource Coordinating Center: Westat, Inc., Rockville, Maryland: O’Brien B; U24 ES026539","DOI":"http://dx.doi.org/10.21228/M8Z12P"},

"STUDY":{"STUDY_TITLE":"The ECHO Cohort Exposome: First Steps using HHEAR Analysis – An Opportunity for ALL ECHO Cohorts to Contribute Type A Samples – Untargeted Analysis (ReCHARGE Cohort)","STUDY_TYPE":"Case-Control Study","STUDY_SUMMARY":"The ReCHARGE study is a case control study of children with Autism Spectrum Disorder, Developmental Delay, and who are typically developing. They were initially recruited into the study between the ages and 2 and 5 years of age, and are being seen again during middle childhood and adolescence. This research was supported by the Environmental influences on Child Health Outcomes (ECHO) program, Office of The Director, National Institutes of Health. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. ReCHARGE is an ECHO cohort which is supported by the following ECHO Program Collaborators: ECHO Coordinating Center: Duke Clinical Research Institute, Durham, North Carolina: Smith PB, Newby KL, Benjamin DK; U2C OD023375 ECHO Data Analysis Center: Johns Hopkins University Bloomberg School of Public Health, Baltimore, Maryland: Jacobson LP; Research Triangle Institute, Durham, North Carolina: Catellier D; U24 OD023382 North Carolina Human Health Exposure Analysis Resource Hub: Research Triangle Institute: Fennell T, University of North Carolina at Chapel Hill: Sumner S, University of North Carolina at Charlotte: Du X; U2C ES030857 Human Health Exposure Analysis Resource Coordinating Center: Westat, Inc., Rockville, Maryland: O’Brien B; U24 ES026539","INSTITUTE":"University of California, Davis","DEPARTMENT":"School of Medicine, Public Health Sciences","LAST_NAME":"Deborah","FIRST_NAME":"Bennett","ADDRESS":"Public Health Sciences Medical Sciences 1-C Davis, CA 95616","EMAIL":"dhbennett@ucdavis.edu","PHONE":"(530) 754-8282","SUBMIT_DATE":"2023-03-01"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_1",
"Factors":{"Sample Type":"Blank","Batch":"1"},
"Additional sample data":{"Analysis Order":"12","RAW_FILE_NAME":"ReCHARGE_B_1"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_2",
"Factors":{"Sample Type":"Blank","Batch":"1"},
"Additional sample data":{"Analysis Order":"26","RAW_FILE_NAME":"ReCHARGE_B_2"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_3",
"Factors":{"Sample Type":"Blank","Batch":"1"},
"Additional sample data":{"Analysis Order":"39","RAW_FILE_NAME":"ReCHARGE_B_3"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_4",
"Factors":{"Sample Type":"Blank","Batch":"1"},
"Additional sample data":{"Analysis Order":"53","RAW_FILE_NAME":"ReCHARGE_B_4"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_5",
"Factors":{"Sample Type":"Blank","Batch":"1"},
"Additional sample data":{"Analysis Order":"67","RAW_FILE_NAME":"ReCHARGE_B_5"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_6",
"Factors":{"Sample Type":"Blank","Batch":"1"},
"Additional sample data":{"Analysis Order":"81","RAW_FILE_NAME":"ReCHARGE_B_6"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_7",
"Factors":{"Sample Type":"Blank","Batch":"1"},
"Additional sample data":{"Analysis Order":"94","RAW_FILE_NAME":"ReCHARGE_B_7"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_8",
"Factors":{"Sample Type":"Blank","Batch":"1"},
"Additional sample data":{"Analysis Order":"108","RAW_FILE_NAME":"ReCHARGE_B_8"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_10",
"Factors":{"Sample Type":"Blank","Batch":"2"},
"Additional sample data":{"Analysis Order":"137","RAW_FILE_NAME":"ReCHARGE_B_10"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_11",
"Factors":{"Sample Type":"Blank","Batch":"2"},
"Additional sample data":{"Analysis Order":"150","RAW_FILE_NAME":"ReCHARGE_B_11"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_12",
"Factors":{"Sample Type":"Blank","Batch":"2"},
"Additional sample data":{"Analysis Order":"164","RAW_FILE_NAME":"ReCHARGE_B_12"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_13",
"Factors":{"Sample Type":"Blank","Batch":"2"},
"Additional sample data":{"Analysis Order":"178","RAW_FILE_NAME":"ReCHARGE_B_13"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_14",
"Factors":{"Sample Type":"Blank","Batch":"2"},
"Additional sample data":{"Analysis Order":"192","RAW_FILE_NAME":"ReCHARGE_B_14"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_15",
"Factors":{"Sample Type":"Blank","Batch":"2"},
"Additional sample data":{"Analysis Order":"205","RAW_FILE_NAME":"ReCHARGE_B_15"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_16",
"Factors":{"Sample Type":"Blank","Batch":"2"},
"Additional sample data":{"Analysis Order":"219","RAW_FILE_NAME":"ReCHARGE_B_16"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_9",
"Factors":{"Sample Type":"Blank","Batch":"2"},
"Additional sample data":{"Analysis Order":"123","RAW_FILE_NAME":"ReCHARGE_B_9"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_18",
"Factors":{"Sample Type":"Blank","Batch":"3"},
"Additional sample data":{"Analysis Order":"247","RAW_FILE_NAME":"ReCHARGE_B_18"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_19",
"Factors":{"Sample Type":"Blank","Batch":"3"},
"Additional sample data":{"Analysis Order":"260","RAW_FILE_NAME":"ReCHARGE_B_19"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_20",
"Factors":{"Sample Type":"Blank","Batch":"3"},
"Additional sample data":{"Analysis Order":"274","RAW_FILE_NAME":"ReCHARGE_B_20"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_21",
"Factors":{"Sample Type":"Blank","Batch":"3"},
"Additional sample data":{"Analysis Order":"288","RAW_FILE_NAME":"ReCHARGE_B_21"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_B_22",
"Factors":{"Sample Type":"Blank","Batch":"3"},
"Additional sample data":{"Analysis Order":"295","RAW_FILE_NAME":"ReCHARGE_B_22"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_1",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"14","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_1"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_2",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"41","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_2"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_3",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"69","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_3"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_4",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"96","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_4"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_5",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"125","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_5"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_6",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"152","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_6"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_7",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"180","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_7"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_8",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"207","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_8"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_10",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"3"},
"Additional sample data":{"Analysis Order":"262","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_10"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_11",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"3"},
"Additional sample data":{"Analysis Order":"290","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_11"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_CHEAR_U_9",
"Factors":{"Sample Type":"CHEAR Urine Pool","Batch":"3"},
"Additional sample data":{"Analysis Order":"235","RAW_FILE_NAME":"ReCHARGE_CHEAR_U_9"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_1",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"1"},
"Additional sample data":{"Analysis Order":"13","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_1"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_2",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"1"},
"Additional sample data":{"Analysis Order":"40","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_2"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_3",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"1"},
"Additional sample data":{"Analysis Order":"68","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_3"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_4",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"1"},
"Additional sample data":{"Analysis Order":"95","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_4"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_5",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"2"},
"Additional sample data":{"Analysis Order":"124","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_5"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_6",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"2"},
"Additional sample data":{"Analysis Order":"151","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_6"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_7",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"2"},
"Additional sample data":{"Analysis Order":"179","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_7"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_8",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"2"},
"Additional sample data":{"Analysis Order":"206","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_8"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_10",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"3"},
"Additional sample data":{"Analysis Order":"261","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_10"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_11",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"3"},
"Additional sample data":{"Analysis Order":"289","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_11"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U1_9",
"Factors":{"Sample Type":"HHEAR Urine Pool 1 (HHEAR_U1_20)","Batch":"3"},
"Additional sample data":{"Analysis Order":"234","RAW_FILE_NAME":"ReCHARGE_HHEAR_U1_9"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_1",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"1"},
"Additional sample data":{"Analysis Order":"27","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_1"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_2",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"1"},
"Additional sample data":{"Analysis Order":"54","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_2"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_3",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"1"},
"Additional sample data":{"Analysis Order":"82","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_3"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_4",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"1"},
"Additional sample data":{"Analysis Order":"109","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_4"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_5",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"2"},
"Additional sample data":{"Analysis Order":"138","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_5"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_6",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"2"},
"Additional sample data":{"Analysis Order":"165","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_6"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_7",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"2"},
"Additional sample data":{"Analysis Order":"193","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_7"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_8",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"2"},
"Additional sample data":{"Analysis Order":"220","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_8"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_10",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"3"},
"Additional sample data":{"Analysis Order":"275","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_10"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_11",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"3"},
"Additional sample data":{"Analysis Order":"296","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_11"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_HHEAR_U2_9",
"Factors":{"Sample Type":"HHEAR Urine Pool 2 (HHEAR_U2_50)","Batch":"3"},
"Additional sample data":{"Analysis Order":"248","RAW_FILE_NAME":"ReCHARGE_HHEAR_U2_9"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_NIST_3672_1",
"Factors":{"Sample Type":"NIST Urine Pool 3672","Batch":"1"},
"Additional sample data":{"Analysis Order":"1","RAW_FILE_NAME":"ReCHARGE_NIST_3672_1"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_NIST_3672_2",
"Factors":{"Sample Type":"NIST Urine Pool 3672","Batch":"1"},
"Additional sample data":{"Analysis Order":"56","RAW_FILE_NAME":"ReCHARGE_NIST_3672_2"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_NIST_3672_3",
"Factors":{"Sample Type":"NIST Urine Pool 3672","Batch":"1"},
"Additional sample data":{"Analysis Order":"111","RAW_FILE_NAME":"ReCHARGE_NIST_3672_3"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_NIST_3672_4",
"Factors":{"Sample Type":"NIST Urine Pool 3672","Batch":"2"},
"Additional sample data":{"Analysis Order":"112","RAW_FILE_NAME":"ReCHARGE_NIST_3672_4"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_NIST_3672_5",
"Factors":{"Sample Type":"NIST Urine Pool 3672","Batch":"2"},
"Additional sample data":{"Analysis Order":"167","RAW_FILE_NAME":"ReCHARGE_NIST_3672_5"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_NIST_3672_6",
"Factors":{"Sample Type":"NIST Urine Pool 3672","Batch":"2"},
"Additional sample data":{"Analysis Order":"222","RAW_FILE_NAME":"ReCHARGE_NIST_3672_6"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_NIST_3672_7",
"Factors":{"Sample Type":"NIST Urine Pool 3672","Batch":"3"},
"Additional sample data":{"Analysis Order":"223","RAW_FILE_NAME":"ReCHARGE_NIST_3672_7"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_NIST_3672_8",
"Factors":{"Sample Type":"NIST Urine Pool 3672","Batch":"3"},
"Additional sample data":{"Analysis Order":"277","RAW_FILE_NAME":"ReCHARGE_NIST_3672_8"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_1",
"Factors":{"Sample Type":"Study Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"15","RAW_FILE_NAME":"ReCHARGE_SP_1"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_2",
"Factors":{"Sample Type":"Study Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"28","RAW_FILE_NAME":"ReCHARGE_SP_2"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_3",
"Factors":{"Sample Type":"Study Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"42","RAW_FILE_NAME":"ReCHARGE_SP_3"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_4",
"Factors":{"Sample Type":"Study Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"55","RAW_FILE_NAME":"ReCHARGE_SP_4"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_5",
"Factors":{"Sample Type":"Study Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"70","RAW_FILE_NAME":"ReCHARGE_SP_5"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_6",
"Factors":{"Sample Type":"Study Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"83","RAW_FILE_NAME":"ReCHARGE_SP_6"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_7",
"Factors":{"Sample Type":"Study Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"97","RAW_FILE_NAME":"ReCHARGE_SP_7"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_8",
"Factors":{"Sample Type":"Study Pool","Batch":"1"},
"Additional sample data":{"Analysis Order":"110","RAW_FILE_NAME":"ReCHARGE_SP_8"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_10",
"Factors":{"Sample Type":"Study Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"139","RAW_FILE_NAME":"ReCHARGE_SP_10"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_11",
"Factors":{"Sample Type":"Study Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"153","RAW_FILE_NAME":"ReCHARGE_SP_11"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_12",
"Factors":{"Sample Type":"Study Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"166","RAW_FILE_NAME":"ReCHARGE_SP_12"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_13",
"Factors":{"Sample Type":"Study Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"181","RAW_FILE_NAME":"ReCHARGE_SP_13"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_14",
"Factors":{"Sample Type":"Study Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"194","RAW_FILE_NAME":"ReCHARGE_SP_14"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_15",
"Factors":{"Sample Type":"Study Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"208","RAW_FILE_NAME":"ReCHARGE_SP_15"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_16",
"Factors":{"Sample Type":"Study Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"221","RAW_FILE_NAME":"ReCHARGE_SP_16"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_9",
"Factors":{"Sample Type":"Study Pool","Batch":"2"},
"Additional sample data":{"Analysis Order":"126","RAW_FILE_NAME":"ReCHARGE_SP_9"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_17",
"Factors":{"Sample Type":"Study Pool","Batch":"3"},
"Additional sample data":{"Analysis Order":"236","RAW_FILE_NAME":"ReCHARGE_SP_17"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_18",
"Factors":{"Sample Type":"Study Pool","Batch":"3"},
"Additional sample data":{"Analysis Order":"249","RAW_FILE_NAME":"ReCHARGE_SP_18"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_19",
"Factors":{"Sample Type":"Study Pool","Batch":"3"},
"Additional sample data":{"Analysis Order":"263","RAW_FILE_NAME":"ReCHARGE_SP_19"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_20",
"Factors":{"Sample Type":"Study Pool","Batch":"3"},
"Additional sample data":{"Analysis Order":"276","RAW_FILE_NAME":"ReCHARGE_SP_20"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_21",
"Factors":{"Sample Type":"Study Pool","Batch":"3"},
"Additional sample data":{"Analysis Order":"291","RAW_FILE_NAME":"ReCHARGE_SP_21"}
},
{
"Subject ID":"N/A",
"Sample ID":"ReCHARGE_SP_22",
"Factors":{"Sample Type":"Study Pool","Batch":"3"},
"Additional sample data":{"Analysis Order":"297","RAW_FILE_NAME":"ReCHARGE_SP_22"}
},
{
"Subject ID":"EM-378T5-U-00-11601",
"Sample ID":"ReCHARGE_S_1",
"Factors":{"Sample Type":"Study Sample","Batch":"1"},
"Additional sample data":{"Analysis Order":"2","RAW_FILE_NAME":"ReCHARGE_S_1"}
},
{
"Subject ID":"EM-37RQ6-U-00-11601",
"Sample ID":"ReCHARGE_S_10",
"Factors":{"Sample Type":"Study Sample","Batch":"1"},
"Additional sample data":{"Analysis Order":"11","RAW_FILE_NAME":"ReCHARGE_S_10"}
},
{
"Subject ID":"EM-372M7-U-00-11601",
"Sample ID":"ReCHARGE_S_11",
"Factors":{"Sample Type":"Study Sample","Batch":"1"},
"Additional sample data":{"Analysis Order":"16","RAW_FILE_NAME":"ReCHARGE_S_11"}
},
{
"Subject ID":"EM-36C39-U-00-11601",
"Sample ID":"ReCHARGE_S_12",
"Factors":{"Sample Type":"Study Sample","Batch":"1"},
"Additional sample data":{"Analysis Order":"17","RAW_FILE_NAME":"ReCHARGE_S_12"}
},
{
"Subject ID":"EM-37911-U-00-11601",
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},
{
"Subject ID":"EM-37S49-U-00-11601",
"Sample ID":"ReCHARGE_S_207",
"Factors":{"Sample Type":"Study Sample","Batch":"3"},
"Additional sample data":{"Analysis Order":"284","RAW_FILE_NAME":"ReCHARGE_S_207"}
},
{
"Subject ID":"EM-371X3-U-00-11601",
"Sample ID":"ReCHARGE_S_208",
"Factors":{"Sample Type":"Study Sample","Batch":"3"},
"Additional sample data":{"Analysis Order":"285","RAW_FILE_NAME":"ReCHARGE_S_208"}
},
{
"Subject ID":"EM-375L6-U-00-11601",
"Sample ID":"ReCHARGE_S_209",
"Factors":{"Sample Type":"Study Sample","Batch":"3"},
"Additional sample data":{"Analysis Order":"286","RAW_FILE_NAME":"ReCHARGE_S_209"}
},
{
"Subject ID":"EM-374C7-U-00-11601",
"Sample ID":"ReCHARGE_S_210",
"Factors":{"Sample Type":"Study Sample","Batch":"3"},
"Additional sample data":{"Analysis Order":"287","RAW_FILE_NAME":"ReCHARGE_S_210"}
},
{
"Subject ID":"EM-36KX9-U-00-11601",
"Sample ID":"ReCHARGE_S_211",
"Factors":{"Sample Type":"Study Sample","Batch":"3"},
"Additional sample data":{"Analysis Order":"292","RAW_FILE_NAME":"ReCHARGE_S_211"}
},
{
"Subject ID":"EM-36F02-U-00-11601",
"Sample ID":"ReCHARGE_S_212",
"Factors":{"Sample Type":"Study Sample","Batch":"3"},
"Additional sample data":{"Analysis Order":"293","RAW_FILE_NAME":"ReCHARGE_S_212"}
},
{
"Subject ID":"EM-37QS2-U-00-11601",
"Sample ID":"ReCHARGE_S_213",
"Factors":{"Sample Type":"Study Sample","Batch":"3"},
"Additional sample data":{"Analysis Order":"294","RAW_FILE_NAME":"ReCHARGE_S_213"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"NA","SAMPLE_TYPE":"Urine","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"NA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Study samples (2 mL aliquots) were shipped from the University of California, Davis to the NC HHEAR Hub on dry ice. The NC HHEAR Hub thawed and transferred 50 µL of the study samples to a new set of tubes and used them for the analysis. An additional 10 µL was taken from the original study sample and transferred to another tube to make the total study pool for this project, and then distributed with 50 µL per aliquot, used as quality control study pools (QC study pools) throughout the whole analysis. All sample aliquots (50 µL each) and QC study pools (50 µL each) were stored at -80° C until the day of sample preparation. HHEAR Urine Pool 1 (50 µL each), HHEAR Urine Pool 2 (50 µL each), CHEAR reference urine (50 µL each) and NIST urine (SRM 3672) reference material (50 µL each) were provided by the NC HHEAR Hub. LC-MS grade water (50 µL) was used as blanks. All samples were thawed at 4°C overnight before the preparation. Samples, including study samples, study pool samples, HHEAR reference urine, CHEAR reference urine, NIST reference urine, and blanks were mixed with 400 µL methanol containing 500 ng/mL tryptophan-d5 as internal standard and vortexed by a multiple tube vortex mixer for 2 min at 5000 rpm at room temperature. All samples were centrifuged at 16,000 rcf for 10 min at 4°C. The supernatant (350 µL) was transferred into a pre-labeled 2.0 mL Lo-bind Eppendorf tube, dried by a SpeedVac overnight, and stored at -80° C. For immediate analysis, 100 µL of water-methanol solution (95:5, v/v) was used to reconstitute the dried extracts. Samples were thoroughly mixed on a multiple tube vortex mixer for 10 min at 5000 rpm at room temperature and then centrifuged at 4°C for 10 min at 16,000 rcf. The supernatant was transferred to pre-labeled autosampler vials for data acquisition by LC-MS.","PROCESSING_STORAGE_CONDITIONS":"4℃","EXTRACTION_METHOD":"Vortex with methanol containing 500ng/ml tryptophan-d5 as internal standard","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"Water-Methanol (95:5, v/v)","SAMPLE_SPIKING":"Tryptophan-d5 stock solution at 500 ng/mL"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Reverse phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)","COLUMN_PRESSURE":"6000-10000","COLUMN_TEMPERATURE":"50 oC","FLOW_GRADIENT":"Time(min) Flow Rate %A %B Curve 1. 0 0.4 99.0 1.0 5 2. 1.00 0.4 99.0 1.0 5 3. 16.00 0.4 1.0 99.0 5 4. 19.00 0.4 1.0 99.0 5 5. 19.50 0.4 99.0 1.0 5 6. 22.00 0.4 99.0 1.0 5","FLOW_RATE":"0.4 mL/min","INJECTION_TEMPERATURE":"8oC","SOLVENT_A":"100% water; 0.1% formic acid","SOLVENT_B":"100% methanol; 0.1% formic acid","ANALYTICAL_TIME":"22 min","CHROMATOGRAPHY_TYPE":"Reversed phase"},

"ANALYSIS":{"LABORATORY_NAME":"Sumner Lab, UNC-CH","ANALYSIS_TYPE":"MS","ACQUISITION_DATE":"11/30/22-12/05/22","SOFTWARE_VERSION":"Xcalibur 4.1.31.9","DETECTOR_TYPE":"Orbitrap","DATA_FORMAT":"Profile"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF-X Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","MS_COMMENTS":"Instrument: Thermo Q Exactive HFx Software: Xcalibur 4.1.31.9 for data acquisition; Progenesis QI 2.4 for data preprocessing","ION_MODE":"POSITIVE","CAPILLARY_TEMPERATURE":"320 °C","CAPILLARY_VOLTAGE":"3.5 KV","COLLISION_ENERGY":"20-45, ramp","COLLISION_GAS":"N2","DRY_GAS_FLOW":"55","DRY_GAS_TEMP":"400°C","FRAGMENT_VOLTAGE":"ES+","FRAGMENTATION_METHOD":"CID","ION_SPRAY_VOLTAGE":"3.5kV","IONIZATION":"ES+","MASS_ACCURACY":"5 ppm","DATAFORMAT":"Profile","DESOLVATION_GAS_FLOW":"55","DESOLVATION_TEMPERATURE":"400 oC","MS_RESULTS_FILE":"ST002501_AN004110_Results.txt UNITS:m/z Has m/z:Yes Has RT:Yes RT units:Minutes"}

}