{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001948","ANALYSIS_ID":"AN003171","VERSION":"1","CREATED_ON":"October 13, 2021, 8:49 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolites Associated with Gestational Diabetes in Plasma","PROJECT_SUMMARY":"Gestational diabetes mellitus (GDM) significantly increases maternal and fetal health risks, but factors predictive of GDM are poorly understood. Plasma metabolomics analyses were conducted in early pregnancy to identify potential biomarkers for early prediction of Gestational Diabetes Mellitus (GDM). Sixty-eight pregnant women with overweight/obesity from a clinical trial of a lifestyle intervention were included. Participants who developed GDM (n=34; GDM group) were matched on treatment group, age, body mass index, and ethnicity with those who did not develop GDM (n=34; Non-GDM group). Blood draws were completed early in pregnancy (10-16 weeks). Plasma samples were analyzed by UPLC-MS using three metabolomics assays.","INSTITUTE":"Cal Poly St. Univ., San Luis Obispo","DEPARTMENT":"Food Science and Nutrition","LABORATORY":"Cal Poly Metabolomics Service Center","LAST_NAME":"La Frano","FIRST_NAME":"Michael","ADDRESS":"CALIFORNIA POLYTECHNIC STATE UNIVERSITY, 1 GRAND AVE, SAN LUIS OBISPO, CA, 93407, USA","EMAIL":"mlafrano@calpoly.edu","PHONE":"7143602022","FUNDING_SOURCE":"NHLBI; HL114377, California State University Agricultural Research Institute 18-03-011,"},

"STUDY":{"STUDY_TITLE":"Metabolites Associated with Gestational Diabetes in Plasma","STUDY_TYPE":"Case:Control ancillary analysis of RCT","STUDY_SUMMARY":"Gestational diabetes mellitus (GDM) significantly increases maternal and fetal health risks, but factors predictive of GDM are poorly understood. Plasma metabolomics analyses were conducted in early pregnancy to identify potential biomarkers for early prediction of Gestational Diabetes Mellitus (GDM). Sixty-eight pregnant women with overweight/obesity from a clinical trial of a lifestyle intervention were included. Participants who developed GDM (n=34; GDM group) were matched on treatment group, age, body mass index, and ethnicity with those who did not develop GDM (n=34; Non-GDM group). Blood draws were completed early in pregnancy (10-16 weeks). Plasma samples were analyzed by UPLC-MS using three metabolomics assays.","INSTITUTE":"California Polytechnic State University","DEPARTMENT":"Food Science and Nutrition","LABORATORY":"Cal Poly Metabolomics Service Center","LAST_NAME":"La Frano","FIRST_NAME":"Michael","ADDRESS":"CALIFORNIA POLYTECHNIC STATE UNIVERSITY, 1 GRAND AVE","EMAIL":"mlafrano@calpoly.edu","PHONE":"18057566233","NUM_GROUPS":"2","TOTAL_SUBJECTS":"68","NUM_FEMALES":"68"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"10019",
"Sample ID":"B66",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 66","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 66","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 66"}
},
{
"Subject ID":"10026",
"Sample ID":"B29",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 29","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 29","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 29"}
},
{
"Subject ID":"10035",
"Sample ID":"B51",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 51","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 51","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 51"}
},
{
"Subject ID":"10042",
"Sample ID":"B65",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 65","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 65","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 65"}
},
{
"Subject ID":"10074",
"Sample ID":"B25-REPAVG",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 25 -REPAVG","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 25 -REPAVG","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 25 -REPAVG"}
},
{
"Subject ID":"10116",
"Sample ID":"B36",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 36","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 36","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 36"}
},
{
"Subject ID":"10137",
"Sample ID":"B73",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 73","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 73","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 73"}
},
{
"Subject ID":"10163",
"Sample ID":"B40-REPAVG",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 40 -REPAVG","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 40 -REPAVG","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 40 -REPAVG"}
},
{
"Subject ID":"10171",
"Sample ID":"B26",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 26","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 26","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 26"}
},
{
"Subject ID":"10214",
"Sample ID":"B60",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 60","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 60","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 60"}
},
{
"Subject ID":"10279",
"Sample ID":"B44",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 44","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 44","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 44"}
},
{
"Subject ID":"10280",
"Sample ID":"B54",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 54","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 54","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 54"}
},
{
"Subject ID":"10298",
"Sample ID":"B69",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 69","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 69","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 69"}
},
{
"Subject ID":"10312",
"Sample ID":"B74",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 74","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 74","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 74"}
},
{
"Subject ID":"10383",
"Sample ID":"B12-REPAVG",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 12 -REPAVG","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 12 -REPAVG","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 12 -REPAVG"}
},
{
"Subject ID":"10396",
"Sample ID":"B13",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 13","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 13","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 13"}
},
{
"Subject ID":"10429",
"Sample ID":"B5",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 5","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 5","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 5"}
},
{
"Subject ID":"10438",
"Sample ID":"B56",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 56","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 56","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 56"}
},
{
"Subject ID":"10440",
"Sample ID":"B42",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 42","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 42","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 42"}
},
{
"Subject ID":"10493",
"Sample ID":"B50",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 50","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 50","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 50"}
},
{
"Subject ID":"10543",
"Sample ID":"B45",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 45","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 45","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 45"}
},
{
"Subject ID":"10589",
"Sample ID":"B70",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 70","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 70","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 70"}
},
{
"Subject ID":"10625",
"Sample ID":"B67",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 67","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 67","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 67"}
},
{
"Subject ID":"10656",
"Sample ID":"B8",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 8","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 8","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 8"}
},
{
"Subject ID":"10706",
"Sample ID":"B2",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 2","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 2","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 2"}
},
{
"Subject ID":"10747",
"Sample ID":"B24",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 24","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 24","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 24"}
},
{
"Subject ID":"10768",
"Sample ID":"B41",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 41","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 41","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 41"}
},
{
"Subject ID":"10799",
"Sample ID":"B53",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 53","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 53","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 53"}
},
{
"Subject ID":"10845",
"Sample ID":"B55",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 55","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 55","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 55"}
},
{
"Subject ID":"10866",
"Sample ID":"B62",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 62","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 62","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 62"}
},
{
"Subject ID":"10878",
"Sample ID":"B39",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 39","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 39","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 39"}
},
{
"Subject ID":"10976",
"Sample ID":"B23",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 23","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 23","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 23"}
},
{
"Subject ID":"10982",
"Sample ID":"B47",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 47","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 47","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 47"}
},
{
"Subject ID":"11027",
"Sample ID":"B21",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 21","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 21","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 21"}
},
{
"Subject ID":"11062",
"Sample ID":"B16",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 16","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 16","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 16"}
},
{
"Subject ID":"11070",
"Sample ID":"B4",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 4","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 4","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 4"}
},
{
"Subject ID":"11089",
"Sample ID":"B57",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 57","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 57","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 57"}
},
{
"Subject ID":"11101",
"Sample ID":"B34",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 34","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 34","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 34"}
},
{
"Subject ID":"11193",
"Sample ID":"B7",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 7","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 7","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 7"}
},
{
"Subject ID":"11210",
"Sample ID":"B49",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 49","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 49","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 49"}
},
{
"Subject ID":"11275",
"Sample ID":"B33",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 33","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 33","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 33"}
},
{
"Subject ID":"11321",
"Sample ID":"B18",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS Brown 18","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS Brown 18","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS Brown 18"}
},
{
"Subject ID":"80022",
"Sample ID":"C41",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 41","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 42","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 43"}
},
{
"Subject ID":"80080",
"Sample ID":"C1-REPAVG",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 1 -REPAVG","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 1 -REPAVG","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 1 -REPAVG"}
},
{
"Subject ID":"80098",
"Sample ID":"C10",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 10","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 10","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 10"}
},
{
"Subject ID":"80149",
"Sample ID":"C19",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 19","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 19","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 19"}
},
{
"Subject ID":"80165",
"Sample ID":"C28",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 28","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 28","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 28"}
},
{
"Subject ID":"80183",
"Sample ID":"C29",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 29","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 29","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 29"}
},
{
"Subject ID":"80203",
"Sample ID":"C2",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 2","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 2","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 2"}
},
{
"Subject ID":"80219",
"Sample ID":"C4",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 4","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 4","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 4"}
},
{
"Subject ID":"80242",
"Sample ID":"C12",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 12","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 12","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 12"}
},
{
"Subject ID":"80288",
"Sample ID":"C24",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 24","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 24","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 24"}
},
{
"Subject ID":"80337",
"Sample ID":"C20",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 20","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 20","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 20"}
},
{
"Subject ID":"80359",
"Sample ID":"C13",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 13","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 13","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 13"}
},
{
"Subject ID":"80513",
"Sample ID":"C5",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 5","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 5","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 5"}
},
{
"Subject ID":"80521",
"Sample ID":"C39",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 39","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 39","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 39"}
},
{
"Subject ID":"80566",
"Sample ID":"C21",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 21","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 21","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 21"}
},
{
"Subject ID":"80597",
"Sample ID":"C11",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 11","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 11","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 11"}
},
{
"Subject ID":"80634",
"Sample ID":"C17",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 17","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 17","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 17"}
},
{
"Subject ID":"80652",
"Sample ID":"C18",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 18","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 18","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 18"}
},
{
"Subject ID":"80815",
"Sample ID":"C32",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 32","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 32","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 32"}
},
{
"Subject ID":"80870",
"Sample ID":"C31",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 31","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 31","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 31"}
},
{
"Subject ID":"80891",
"Sample ID":"C43",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 43","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 43","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 43"}
},
{
"Subject ID":"80986",
"Sample ID":"C35",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 35","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 35","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 35"}
},
{
"Subject ID":"81111",
"Sample ID":"C23-REP AVG",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 23 -REP AVG","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 23 -REP AVG","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 23 -REP AVG"}
},
{
"Subject ID":"81124",
"Sample ID":"C14",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"2"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 14","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 14","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 14"}
},
{
"Subject ID":"81218",
"Sample ID":"C40",
"Factors":{"Species":"Human","Case-Control":"No_GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 40","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 40","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 40"}
},
{
"Subject ID":"81315",
"Sample ID":"C30",
"Factors":{"Species":"Human","Case-Control":"GDM","Time":"1st Trimester","Treatment (1=control, 2=treatment)":"1"},
"Additional sample data":{"RAW_FILE_NAME":"20190801 SURP GDM LIPIDOMICS CP 30","RAW_FILE_NAME":"20190729 SURP GDM METABOLOMICS CP 30","RAW_FILE_NAME":"20190801 SURP GDM AMINOMICS CP 30"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood samples (plasma) were collected from participants with GDM and non-GDM affected pregnancies during 10-16 weeks gestation (GDM for GDM cases and Non-GDM for control cases).","COLLECTION_PROTOCOL_FILENAME":"La_Frano_Treatment_Protocol_v1.pdf","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"This was a secondary analysis using samples from the Healthy Beginnings/Comienzos Saludables Study, a randomized clinical trial (RCT) that is part of the Lifestyle Interventions for Expectant Moms (LIFE-Moms) Consortium (Phelan et al., 2018). This RCT focused on the outcomes of behavior lifestyle change on weight gain during gestation. Samples were acquired from two study sites: California Polytechnic State University, San Luis Obispo, California and Miriam Hospital with Women and Infants Hospital in Providence, Rhode Island. This trial was registered as NCT01545934. Eligibility consisted of being 9-16 weeks gestational age, BMI (in kg/m2) ≥ 25 upon study entry height and weight, English or Spanish speaking, age ≥ 18 years old, and singleton pregnancy. Participants were excluded if glycated hemoglobin ≥ 6.5, reported major health diseases, substance abuse, undergoing treatment for serious psychological disorders, had contradictions to aerobic exercise, or who had repeated no-shows or loss of contact during screening. Participants were randomly assigned to two different intervention methods. Group one received enhanced usual care, which represented the control group. Group two had a multi-component lifestyle intervention, which included diet, exercise, and behavioral change. Data was collected throughout pregnancy, including blood samples, diet assessment, and clinic measured GDM diagnosis. Blood samples were taken between gestational weeks 10-16. Since the multi-component lifestyle intervention showed no statistically significant effect on GDM occurrence (p=0.7) (Phelan et al., 2018), the samples used for this secondary analysis are from both the control and treatment groups. There were a total of 34 GDM cases that were collected from the California (n=13) and Rhode Island (n=21) study sites. Samples for 34 GDM cases were matched to 34 healthy controls prior to metabolomics analysis based on age, study entry body mass index (BMI), ethnicity, study site, and treatment. The two groups did not differ in weight gain from entry to 26 weeks.","TREATMENT_PROTOCOL_FILENAME":"La Frano Treatment Protocol v1"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"1. 25 µL of plasma were added to 1.5 mL tubes before the addition of 10 µL of 1 µM internal standard solution, followed by 750 µL chilled methanol. 2. Samples were vortexed 30 seconds prior to being centrifuged at 15,000 x G for 10 min. 3. The supernatant was transferred to 1.5 mL high performance liquid chromatography (HPLC) amber glass vials, dried by centrifugal vacuum evaporation, and reconstituted in 100 µL 3:1 acetonitrile:methanol solution with an internal standard [12-[(cyclohexylamino) carbonyl]amino]-dodecanoic acid (CUDA)] solution. 4.The reconstituted solution was vortexed 30 seconds and placed on ice for 10 minutes. 5. The solution was then centrifuged at 10,000 x G for 3 minutes after being transferred to microfilter tubes. 6. The supernatant was transferred to a HPLC vial to be analyzed using the UPLC-MS.","SAMPLEPREP_PROTOCOL_FILENAME":"La_Frano_Lab_Methods_Doc_v8.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Waters Acquity I-Class","COLUMN_NAME":"Waters Atlantis HILIC (150 x 2.1mm, 3um)","METHODS_FILENAME":"La_Frano_Lab_Methods_Doc_v8.pdf"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"La_Frano_Lab_Methods_Doc_v8.pdf","ACQUISITION_PARAMETERS_FILE":"La_Frano_Lab_Methods_Doc_v8.pdf","PROCESSING_PARAMETERS_FILE":"La_Frano_Lab_Methods_Doc_v8.pdf"},

"MS":{"INSTRUMENT_NAME":"ABI Sciex 4000 QTrap","INSTRUMENT_TYPE":"QTRAP","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Please see lab methods file."},

"MS_METABOLITE_DATA":{
"Units":"Peak Area",

"Data":[{"Metabolite":"3-Hydroxyanthranilic acid","B66":"213395.8026","B29":"281481.0013","B51":"189777.7096","B65":"121818.8181","B25-REPAVG":"158892.498","B36":"158148.4583","B73":"165687.4189","B40-REPAVG":"180554.8264","B26":"141855.6051","B60":"201796.518","B44":"207699.3824","B54":"187283.5293","B69":"191561.5377","B74":"201282.9207","B12-REPAVG":"202237.3535","B13":"292811.858","B5":"231948.568","B56":"131954.8673","B42":"184798.4567","B50":"124120.0907","B45":"143276.8105","B70":"89972.82526","B67":"65589.50418","B8":"216912.4793","B2":"191236.839","B24":"123559.8583","B41":"200236.4069","B53":"60344.44575","B55":"89699.71965","B62":"142908.7994","B39":"128487.6177","B23":"175074.9106","B47":"453616.9478","B21":"122373.2857","B16":"392614.7992","B4":"247117.8925","B57":"104114.9986","B34":"112127.3465","B7":"128165.0414","B49":"139068.6337","B33":"107359.4184","B18":"247277.9191","C41":"249494.0872","C1-REPAVG":"177983.3745","C10":"297238.7946","C19":"210195.8319","C28":"124163.7861","C29":"113309.151","C2":"231802.6623","C4":"240933.1453","C12":"260670.22","C24":"526865.4775","C20":"140389.3738","C13":"228030.6858","C5":"294041.4003","C39":"119775.7533","C21":"260474.4654","C11":"182676.0094","C17":"433990.2168","C18":"181988.0454","C32":"217774.3212","C31":"101330.5999","C43":"123550.887","C35":"161111.5834","C23-REP AVG":"242839.4034","C14":"210832.469","C40":"75581.03387","C30":"113013.1168"},{"Metabolite":"5-Hydroxyindoleacetic acid","B66":"5690.971399","B29":"16905.14715","B51":"11123.73902","B65":"4894.342741","B25-REPAVG":"23570.75819","B36":"30252.02071","B73":"7119.300564","B40-REPAVG":"20243.98855","B26":"26253.75081","B60":"6923.582902","B44":"8452.970715","B54":"5339.006641","B69":"8898.896096","B74":"7563.570699","B12-REPAVG":"27266.31595","B13":"23580.30872","B5":"35292.96259","B56":"4447.531005","B42":"9080.846038","B50":"3559.121019","B45":"12457.58007","B70":"2669.083735","B67":"7118.236859","B8":"33374.13919","B2":"26514.68004","B24":"18450.90362","B41":"7563.82826","B53":"9788.439008","B55":"4003.408305","B62":"6674.535849","B39":"19123.2644","B23":"23137.89438","B47":"12899.95595","B21":"20466.96456","B16":"48286.43879","B4":"45964.99893","B57":"9667.828388","B34":"35597.67238","B7":"35767.23443","B49":"9787.841141","B33":"16462.9571","B18":"36484.1068","C41":"15129.10562","C1-REPAVG":"49193.39818","C10":"40945.08817","C19":"47163.04352","C28":"25805.05168","C29":"18687.14332","C2":"47298.30299","C4":"46497.87246","C12":"47610.48455","C24":"52064.9558","C20":"51170.54692","C13":"75850.31959","C5":"31589.21289","C39":"7564.739532","C21":"36040.68623","C11":"52503.86652","C17":"56876.78464","C18":"43662.59756","C32":"21352.37869","C31":"24301.84041","C43":"6671.981418","C35":"29575.15645","C23-REP AVG":"32927.09452","C14":"49172.32309","C40":"17163.1237","C30":"27397.8124"},{"Metabolite":"Acetylcholine","B66":"214293.4473","B29":"271614.498","B51":"319384.2454","B65":"142182.6862","B25-REPAVG":"185223.4548","B36":"122615.6662","B73":"247252.2392","B40-REPAVG":"174291.7111","B26":"118268.0153","B60":"233769.9271","B44":"213532.0849","B54":"181257.2613","B69":"328177.4016","B74":"317876.4645","B12-REPAVG":"304266.7604","B13":"529324.0614","B5":"1070508.556","B56":"330748.4408","B42":"396499.3606","B50":"125434.102","B45":"169626.2785","B70":"171524.3963","B67":"179309.2838","B8":"427464.8145","B2":"794600.6691","B24":"143063.2971","B41":"282076.1373","B53":"368303.5114","B55":"253215.5833","B62":"230764.9508","B39":"168845.7378","B23":"235527.5148","B47":"504674.9019","B21":"156324.9586","B16":"478093.7758","B4":"587271.6388","B57":"277201.7179","B34":"292116.6919","B7":"659058.6951","B49":"121620.9456","B33":"176912.8718","B18":"605849.6183","C41":"214381.1512","C1-REPAVG":"962056.4408","C10":"740563.0856","C19":"646768.5621","C28":"215518.5458","C29":"147009.8091","C2":"1557401.237","C4":"1534507.806","C12":"466154.2685","C24":"570637.9723","C20":"801566.5894","C13":"760509.7266","C5":"1240411.397","C39":"310250.7136","C21":"570209.5378","C11":"1100618.66","C17":"758277.7522","C18":"586541.3184","C32":"240079.5145","C31":"171118.1951","C43":"192345.1367","C35":"186277.4313","C23-REP AVG":"334358.2396","C14":"462206.5542","C40":"317173.2885","C30":"252977.089"},{"Metabolite":"Alanine","B66":"914275.897","B29":"1594921.079","B51":"1361987.018","B65":"568206.3483","B25-REPAVG":"1478287.061","B36":"602586.1317","B73":"639295.8779","B40-REPAVG":"866120.5862","B26":"1614396.786","B60":"949437.9282","B44":"850548.3733","B54":"982127.1462","B69":"1132869.76","B74":"1620754.326","B12-REPAVG":"1728077.935","B13":"2536140.08","B5":"2962751.649","B56":"985208.6259","B42":"1417113.822","B50":"875741.8023","B45":"1131101.92","B70":"774442.6417","B67":"1058549.881","B8":"3126647.894","B2":"3123507.149","B24":"1647372.246","B41":"997729.228","B53":"1018792.157","B55":"909009.5059","B62":"1004968.81","B39":"671804.5122","B23":"1637699.865","B47":"805652.9283","B21":"1960497.982","B16":"1515788.22","B4":"3084920.396","B57":"1125710.43","B34":"1555725.229","B7":"1991634.517","B49":"601494.9113","B33":"1026035.194","B18":"2872917.637","C41":"884052.0905","C1-REPAVG":"2989082.846","C10":"3311700.056","C19":"3404590.11","C28":"1790196.688","C29":"1850485.66","C2":"4964196.658","C4":"4317398.448","C12":"3234816.435","C24":"3801769.296","C20":"3310902.572","C13":"3761346.963","C5":"4096242.216","C39":"670394.6383","C21":"3516882.733","C11":"2710522.737","C17":"4483330.666","C18":"2567371.236","C32":"2071050.832","C31":"1999328.063","C43":"1011246.86","C35":"1954610.029","C23-REP AVG":"2460793.762","C14":"3182139.394","C40":"1168371.757","C30":"2383731.695"},{"Metabolite":"Allantoin","B66":"26783.22307","B29":"9110.083803","B51":"29795.80752","B65":"23111.33713","B25-REPAVG":"10903.42528","B36":"4557.559847","B73":"30960.12081","B40-REPAVG":"20050.97233","B26":"7560.508871","B60":"39532.81578","B44":"43676.42262","B54":"38172.03169","B69":"28557.83547","B74":"32402.92055","B12-REPAVG":"18259.38332","B13":"9880.994196","B5":"22537.29769","B56":"27398.09086","B42":"43581.75154","B50":"22476.8875","B45":"43069.95424","B70":"13208.50686","B67":"17381.71569","B8":"16265.64055","B2":"17320.6468","B24":"4608.624872","B41":"42160.04093","B53":"36039.5551","B55":"21853.15762","B62":"21849.2402","B39":"12675.01828","B23":"11226.81226","B47":"84705.29055","B21":"15667.54197","B16":"18114.27117","B4":"13106.89138","B57":"43058.04852","B34":"11901.04105","B7":"16049.74895","B49":"31809.03839","B33":"6296.75506","B18":"2340.366523","C41":"8713.38501","C1-REPAVG":"29974.5288","C10":"28799.63708","C19":"14940.45079","C28":"11247.6049","C29":"15379.35997","C2":"30780.45267","C4":"33145.92831","C12":"11725.67084","C24":"12952.60524","C20":"27767.96218","C13":"24817.01386","C5":"27663.39247","C39":"17343.34269","C21":"23618.38681","C11":"30764.4144","C17":"38462.53184","C18":"11559.48672","C32":"18169.0331","C31":"6560.744056","C43":"31046.29433","C35":"11211.68819","C23-REP AVG":"14597.34271","C14":"19547.2876","C40":"10571.7244","C30":"12013.02138"},{"Metabolite":"sn-Glycero-3-phosphocholine","B66":"135355.0908","B29":"380717.398","B51":"116015.7945","B65":"110882.5854","B25-REPAVG":"311518.116","B36":"303551.6587","B73":"58012.67278","B40-REPAVG":"197525.6295","B26":"156246.3183","B60":"75589.74207","B44":"50974.94549","B54":"60302.85574","B69":"129714.1211","B74":"83457.09795","B12-REPAVG":"660398.9991","B13":"664172.9202","B5":"914749.4804","B56":"305080.3418","B42":"276280.9008","B50":"456966.093","B45":"101071.823","B70":"374563.8137","B67":"887.5585548","B8":"477652.4357","B2":"578059.8523","B24":"401054.1573","B41":"332728.5889","B53":"212121.4357","B55":"230253.4406","B62":"251421.9762","B39":"347295.941","B23":"259431.7019","B47":"258222.6658","B21":"342132.0229","B16":"953207.3676","B4":"708496.0934","B57":"139752.3646","B34":"361661.4059","B7":"649987.3399","B49":"248631.2918","B33":"613072.3456","B18":"643093.8945","C41":"258104","C1-REPAVG":"958825.8415","C10":"327768.0102","C19":"465832.2405","C28":"179980.4315","C29":"373068.4081","C2":"778524.4906","C4":"1310730.326","C12":"244753.8972","C24":"326728.8651","C20":"620353.2268","C13":"429564.3858","C5":"549195.656","C39":"311367.087","C21":"944570.1483","C11":"263060.5168","C17":"612596.9332","C18":"305514.3278","C32":"348380.9077","C31":"258500.3737","C43":"122821.8148","C35":"181722.8252","C23-REP AVG":"671184.9929","C14":"226308.177","C40":"195973.1686","C30":"128538.7014"},{"Metabolite":"Arginine","B66":"2635360.553","B29":"4943674.001","B51":"5713313.191","B65":"2902515.777","B25-REPAVG":"3099486.476","B36":"2550409.384","B73":"3019849.709","B40-REPAVG":"3460862.827","B26":"3459115.717","B60":"4836622.951","B44":"3238013.709","B54":"5074837.489","B69":"4991939.939","B74":"6361367.947","B12-REPAVG":"4908005.518","B13":"6206401.83","B5":"7633142.089","B56":"4444920.592","B42":"5453985.636","B50":"2340898.838","B45":"3744866.261","B70":"3025267.144","B67":"2704022.163","B8":"7309135.177","B2":"5535831.697","B24":"3465389.953","B41":"3744404.536","B53":"5103741.036","B55":"3292332.798","B62":"2940145.302","B39":"3789645.803","B23":"4122417.123","B47":"7284693.527","B21":"5648421.615","B16":"7421507.101","B4":"6251752.369","B57":"4882787.83","B34":"4724416.966","B7":"6512322.772","B49":"2362125.615","B33":"2550065.054","B18":"8048031.692","C41":"3383621.25","C1-REPAVG":"7362627.208","C10":"9094056.096","C19":"7087728.043","C28":"2846538.016","C29":"3211773.79","C2":"8821053.143","C4":"13288082.89","C12":"5101496.599","C24":"10762287.46","C20":"10178888.54","C13":"7487997.573","C5":"10323078.58","C39":"4184663.232","C21":"9639817.48","C11":"8308010.773","C17":"7314843.72","C18":"7635837.229","C32":"4925107.204","C31":"4383938.954","C43":"4043954.781","C35":"4983292.388","C23-REP 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"Metabolites":[{"Metabolite":"3-Hydroxyanthranilic acid","PubChem CID":"86","KEGG":"C00632","Inchikey":"WJXSWCUQABXPFS-UHFFFAOYSA-N"},{"Metabolite":"5-Hydroxyindoleacetic acid","PubChem CID":"1826","KEGG":"C05635","Inchikey":"DUUGKQCEGZLZNO-UHFFFAOYSA-N"},{"Metabolite":"Acetylcholine","PubChem CID":"187","KEGG":"C01996","Inchikey":"OIPILFWXSMYKGL-UHFFFAOYSA-N"},{"Metabolite":"Alanine","PubChem CID":"5950","KEGG":"C00041","Inchikey":"QNAYBMKLOCPYGJ-REOHCLBHSA-N"},{"Metabolite":"Allantoin","PubChem CID":"204","KEGG":"C01551","Inchikey":"POJWUDADGALRAB-UHFFFAOYSA-N"},{"Metabolite":"sn-Glycero-3-phosphocholine","PubChem CID":"657272","KEGG":"D07349","Inchikey":"SUHOQUVVVLNYQR-MRVPVSSYSA-N"},{"Metabolite":"Arginine","PubChem CID":"28782","KEGG":"C00062","Inchikey":"ODKSFYDXXFIFQN-BYPYZUCNSA-N"},{"Metabolite":"Asparagine","PubChem CID":"6267","KEGG":"C00152","Inchikey":"DCXYFEDJOCDNAF-REOHCLBHSA-N"},{"Metabolite":"Aspartic acid","PubChem CID":"5960","KEGG":"C00049","Inchikey":"CKLJMWTZIZZHCS-REOHCLBHSA-N"},{"Metabolite":"Betaine","PubChem CID":"247","KEGG":"C00719","Inchikey":"KWIUHFFTVRNATP-UHFFFAOYSA-N"},{"Metabolite":"Carnitine","PubChem CID":"10917","KEGG":"C00318","Inchikey":"PHIQHXFUZVPYII-ZCFIWIBFSA-N"},{"Metabolite":"Choline","PubChem CID":"305","KEGG":"C00114","Inchikey":"OEYIOHPDSNJKLS-UHFFFAOYSA-N"},{"Metabolite":"trans-4-Hydroxyproline","PubChem CID":"5810","KEGG":"C01157","Inchikey":"PMMYEEVYMWASQN-DMTCNVIQSA-N"},{"Metabolite":"Citrulline","PubChem CID":"6992098","KEGG":"C00327","Inchikey":"RHGKLRLOHDJJDR-BYPYZUCNSA-N"},{"Metabolite":"Creatine","PubChem CID":"586","KEGG":"C00300","Inchikey":"CVSVTCORWBXHQV-UHFFFAOYSA-N"},{"Metabolite":"Creatinine","PubChem CID":"588","KEGG":"C00791","Inchikey":"DDRJAANPRJIHGJ-UHFFFAOYSA-N"},{"Metabolite":"Cytidine","PubChem CID":"6175","KEGG":"C00475","Inchikey":"UHDGCWIWMRVCDJ-XVFCMESISA-N"},{"Metabolite":"Dimethylglycine","PubChem CID":"673","KEGG":"C01026","Inchikey":"FFDGPVCHZBVARC-UHFFFAOYSA-N"},{"Metabolite":"Asymmetric-dimethyl-L-arginine","PubChem CID":"123831","KEGG":"","Inchikey":"YDGMGEXADBMOMJ-LURJTMIESA-N"},{"Metabolite":"Glucosamine","PubChem CID":"441477","KEGG":"C08349","Inchikey":"MSWZFWKMSRAUBD-QZABAPFNSA-N"},{"Metabolite":"SUM_Monosaccharides","PubChem CID":"","KEGG":"","Inchikey":""},{"Metabolite":"Glutamic acid","PubChem CID":"33032","KEGG":"C00025","Inchikey":"WHUUTDBJXJRKMK-VKHMYHEASA-N"},{"Metabolite":"Glutamine","PubChem CID":"5961","KEGG":"C00064","Inchikey":"ZDXPYRJPNDTMRX-VKHMYHEASA-N"},{"Metabolite":"Glycine","PubChem CID":"5257127","KEGG":"C00037","Inchikey":"DHMQDGOQFOQNFH-UHFFFAOYSA-N"},{"Metabolite":"Histidine","PubChem CID":"6274","KEGG":"C00135","Inchikey":"HNDVDQJCIGZPNO-YFKPBYRVSA-N"},{"Metabolite":"Hypoxanthine","PubChem CID":"790","KEGG":"C00262","Inchikey":"FDGQSTZJBFJUBT-UHFFFAOYSA-N"},{"Metabolite":"IMP","PubChem CID":"8582","KEGG":"C00130","Inchikey":"GRSZFWQUAKGDAV-KQYNXXCUSA-N"},{"Metabolite":"Inosine","PubChem CID":"135398641","KEGG":"C00294","Inchikey":"UGQMRVRMYYASKQ-KQYNXXCUSA-N"},{"Metabolite":"Isoleucine","PubChem CID":"6306","KEGG":"C00407","Inchikey":"AGPKZVBTJJNPAG-WHFBIAKZSA-N"},{"Metabolite":"Kynurenic acid","PubChem CID":"3845","KEGG":"C01717","Inchikey":"HCZHHEIFKROPDY-UHFFFAOYSA-N"},{"Metabolite":"Leucine","PubChem CID":"6106","KEGG":"C00123","Inchikey":"ROHFNLRQFUQHCH-YFKPBYRVSA-N"},{"Metabolite":"Lysine","PubChem CID":"5962","KEGG":"C00047","Inchikey":"KDXKERNSBIXSRK-YFKPBYRVSA-N"},{"Metabolite":"Methionine","PubChem CID":"5255805","KEGG":"C01733","Inchikey":"FFEARJCKVFRZRR-UHFFFAOYSA-N"},{"Metabolite":"Ureidopropionic acid","PubChem CID":"111","KEGG":"C02642","Inchikey":"JSJWCHRYRHKBBW-UHFFFAOYSA-N"},{"Metabolite":"Nicotinamide","PubChem CID":"936","KEGG":"C00153","Inchikey":"DFPAKSUCGFBDDF-UHFFFAOYSA-N"},{"Metabolite":"N-monomethyl-L-arginine","PubChem CID":"28782","KEGG":"C00062","Inchikey":"ODKSFYDXXFIFQN-BYPYZUCNSA-N"},{"Metabolite":"Ornithine","PubChem CID":"6262","KEGG":"C00077","Inchikey":"AHLPHDHHMVZTML-BYPYZUCNSA-N"},{"Metabolite":"Phenylalanine","PubChem CID":"6140","KEGG":"C00079","Inchikey":"COLNVLDHVKWLRT-QMMMGPOBSA-N"},{"Metabolite":"Proline","PubChem CID":"145742","KEGG":"C00148","Inchikey":"ONIBWKKTOPOVIA-BYPYZUCNSA-N"},{"Metabolite":"Serine","PubChem CID":"5951","KEGG":"C00065","Inchikey":"MTCFGRXMJLQNBG-REOHCLBHSA-N"},{"Metabolite":"Serotonin","PubChem CID":"5202","KEGG":"C00780","Inchikey":"QZAYGJVTTNCVMB-UHFFFAOYSA-N"},{"Metabolite":"Symmetric dimethyl-L-arginine","PubChem CID":"17801140","KEGG":"","Inchikey":"NWGZOALPWZDXNG-UHFFFAOYSA-N"},{"Metabolite":"Taurine","PubChem CID":"1123","KEGG":"C00245","Inchikey":"XOAAWQZATWQOTB-UHFFFAOYSA-N"},{"Metabolite":"Threonine","PubChem CID":"6288","KEGG":"C00188","Inchikey":"AYFVYJQAPQTCCC-GBXIJSLDSA-N"},{"Metabolite":"Thyroxine","PubChem CID":"25201348","KEGG":"C01829","Inchikey":"XUIIKFGFIJCVMT-LBPRGKRZSA-N"},{"Metabolite":"Liothyronine","PubChem CID":"5920","KEGG":"C02465","Inchikey":"AUYYCJSJGJYCDS-LBPRGKRZSA-N"},{"Metabolite":"Tryptophan","PubChem CID":"6305","KEGG":"C00078","Inchikey":"QIVBCDIJIAJPQS-VIFPVBQESA-N"},{"Metabolite":"Tyrosine","PubChem CID":"6057","KEGG":"C00082","Inchikey":"OUYCCCASQSFEME-QMMMGPOBSA-N"},{"Metabolite":"Uracil","PubChem CID":"1174","KEGG":"C00106","Inchikey":"ISAKRJDGNUQOIC-UHFFFAOYSA-N"},{"Metabolite":"Valine","PubChem CID":"6287","KEGG":"C00183","Inchikey":"KZSNJWFQEVHDMF-BYPYZUCNSA-N"},{"Metabolite":"Xanthosine","PubChem CID":"64959","KEGG":"C01762","Inchikey":"UBORTCNDUKBEOP-UUOKFMHZSA-N"},{"Metabolite":"CAR 2:0","PubChem CID":"18230","KEGG":"","Inchikey":"RDHQFKQIGNGIED-QMMMGPOBSA-N"},{"Metabolite":"CAR 3:0","PubChem CID":"188824","KEGG":"","Inchikey":"UFAHZIUFPNSHSL-MRVPVSSYSA-N"},{"Metabolite":"CAR 4:0","PubChem CID":"168379","KEGG":"","Inchikey":"LRCNOZRCYBNMEP-SECBINFHSA-N"},{"Metabolite":"CAR DC3:0","PubChem CID":"22833583","KEGG":"","Inchikey":"ZGNBLKBZJBJFDG-ZETCQYMHSA-N"},{"Metabolite":"CAR 6:0;OH","PubChem CID":"53481624","KEGG":"","Inchikey":"VYEONLJQPYRKAN-DTIOYNMSSA-N"},{"Metabolite":"CAR DC5:0","PubChem CID":"3036008","KEGG":"","Inchikey":"HYVXOSFJMKWZGF-UHFFFAOYSA-N"},{"Metabolite":"CAR 8:1","PubChem CID":"70679121","KEGG":"","Inchikey":"LOSHAHDSFZXVCT-LXKVQUBZSA-N"},{"Metabolite":"CAR 8:0","PubChem CID":"70679121","KEGG":"","Inchikey":"LOSHAHDSFZXVCT-LXKVQUBZSA-N"},{"Metabolite":"CAR DC5:0;3Me","PubChem CID":"128145","KEGG":"","Inchikey":"HFCPFJNSBPQJDP-UHFFFAOYSA-N"},{"Metabolite":"CAR 10:1","PubChem CID":"71464497","KEGG":"","Inchikey":"OQWOHRPOYAVIOK-KTKRTIGZSA-N"},{"Metabolite":"CAR 10:0","PubChem CID":"11953821","KEGG":"","Inchikey":"LZOSYCMHQXPBFU-OAHLLOKOSA-N"},{"Metabolite":"CAR 12:1","PubChem CID":"168381","KEGG":"","Inchikey":"FUJLYHJROOYKRA-QGZVFWFLSA-N"},{"Metabolite":"CAR 12:0","PubChem CID":"168381","KEGG":"","Inchikey":"FUJLYHJROOYKRA-QGZVFWFLSA-N"},{"Metabolite":"CAR 14:1","PubChem CID":"22833575","KEGG":"","Inchikey":"NNCBVXBBLABOCB-SEYXRHQNSA-N"},{"Metabolite":"CAR 14:0","PubChem CID":"53477791","KEGG":"","Inchikey":"PSHXNVGSVNEJBD-LJQANCHMSA-N"},{"Metabolite":"CAR 16:1","PubChem CID":"71464547","KEGG":"","Inchikey":"JFAGPSOZZSTLRF-KHPPLWFESA-N"},{"Metabolite":"CAR 16:0","PubChem CID":"11953816","KEGG":"","Inchikey":"XOMRRQXKHMYMOC-OAQYLSRUSA-N"},{"Metabolite":"CAR 16:1;OH","PubChem CID":"71464549","KEGG":"","Inchikey":"XIOFWXBRLXTMQD-KHPPLWFESA-N"},{"Metabolite":"CAR 18:2","PubChem CID":"51000598","KEGG":"","Inchikey":"MJLXQSQYKZWZCB-UTJQPWESSA-N"},{"Metabolite":"CAR 18:1","PubChem CID":"6441392","KEGG":"","Inchikey":"IPOLTUVFXFHAHI-SEYXRHQNSA-N"}]
}

}