{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001928","ANALYSIS_ID":"AN003136","VERSION":"1","CREATED_ON":"October 19, 2021, 10:32 am"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics profiles of premenopausal women are different based on O-desmethylangolensin metabotype","PROJECT_SUMMARY":"Urinary O-desmethylangolensin (ODMA) concentrations provide a functional gut microbiome marker of dietary isoflavone daidzein metabolism to ODMA. Individuals who do not have gut microbial environments that produce ODMA have less favorable cardiometabolic and cancer risk profiles. Urinary metabolomics profiles were evaluated in relation to ODMA metabotypes within and between individuals over time. Secondary analysis was conducted of data from the BEAN2 trial, which was a cross-over study of premenopausal women consuming six months on a high- and a low-soy diet, each separated by a 1-month washout period. In all of the 672 samples in the study, 66 of the 84 women had the same ODMA metabotype at seven or all eight time points. Two or four urine samples per woman were selected based on temporal metabotypes in order to compare within and across individuals. Metabolomics assays for primary metabolism and biogenic amines were conducted in 60 urine samples from 20 women. Partial least-squares discriminant analysis was used to compare metabolomics profiles.","INSTITUTE":"George Mason University","LAST_NAME":"Frankenfeld","FIRST_NAME":"Cara","ADDRESS":"4400 University Drive, Fairfax, VA 22030","EMAIL":"prof.frankenfeld@gmail.com","PHONE":"(206) 265-2563","FUNDING_SOURCE":"Soy Health Research Program"},

"STUDY":{"STUDY_TITLE":"Metabolomics profiles of premenopausal women are different based on O-desmethylangolensin metabotype","STUDY_SUMMARY":"Urinary O-desmethylangolensin (ODMA) concentrations provide a functional gut microbiome marker of dietary isoflavone daidzein metabolism to ODMA. Individuals who do not have gut microbial environments that produce ODMA have less favorable cardiometabolic and cancer risk profiles. Urinary metabolomics profiles were evaluated in relation to ODMA metabotypes within and between individuals over time. Secondary analysis was conducted of data from the BEAN2 trial, which was a cross-over study of premenopausal women consuming six months on a high- and a low-soy diet, each separated by a 1-month washout period. In all of the 672 samples in the study, 66 of the 84 women had the same ODMA metabotype at seven or all eight time points. Two or four urine samples per woman were selected based on temporal metabotypes in order to compare within and across individuals. Metabolomics assays for primary metabolism and biogenic amines were conducted in 60 urine samples from 20 women. Partial least-squares discriminant analysis was used to compare metabolomics profiles.","INSTITUTE":"George Mason University","LAST_NAME":"Frankenfeld","FIRST_NAME":"Cara","ADDRESS":"4400 University Drive, Fairfax, VA 22030","EMAIL":"prof.frankenfeld@gmail.com","PHONE":"206-265-2563"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"B105",
"Sample ID":"B105u3.1",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"1","Species":"Human","RAW_FILE_NAME":"Frankenfeld018_MX395561_posHILIC_B105u3-1-001.d","Sample name":"B105u3.1_001","time":"1","visit":"3"}
},
{
"Subject ID":"B105",
"Sample ID":"B105u4.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"2","Species":"Human","RAW_FILE_NAME":"Frankenfeld015_MX395561_posHILIC_B105u4-2-002.d","Sample name":"B105u4.2_002","time":"2","visit":"4"}
},
{
"Subject ID":"B126",
"Sample ID":"B126u2.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"3","Species":"Human","RAW_FILE_NAME":"Frankenfeld051_MX395561_posHILIC_B126u2-2-003.d","Sample name":"B126u2.2_003","time":"1","visit":"2"}
},
{
"Subject ID":"B126",
"Sample ID":"B126u7.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"4","Species":"Human","RAW_FILE_NAME":"Frankenfeld014_MX395561_posHILIC_B126u7-2-004.d","Sample name":"B126u7.2_004","time":"2","visit":"7"}
},
{
"Subject ID":"B134",
"Sample ID":"B134u1.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"5","Species":"Human","RAW_FILE_NAME":"Frankenfeld040_MX395561_posHILIC_B134u1-2-005.d","Sample name":"B134u1.2_005","time":"1","visit":"1"}
},
{
"Subject ID":"B134",
"Sample ID":"B134u2.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"6","Species":"Human","RAW_FILE_NAME":"Frankenfeld001_MX395561_posHILIC_B134u2-2-006.d","Sample name":"B134u2.2_006","time":"2","visit":"2"}
},
{
"Subject ID":"B134",
"Sample ID":"B134u4.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"7","Species":"Human","RAW_FILE_NAME":"Frankenfeld055_MX395561_posHILIC_B134u4-2-007.d","Sample name":"B134u4.2_007","time":"1","visit":"4"}
},
{
"Subject ID":"B134",
"Sample ID":"B134u5.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"8","Species":"Human","RAW_FILE_NAME":"Frankenfeld042_MX395561_posHILIC_B134u5-2-008.d","Sample name":"B134u5.2_008","time":"2","visit":"5"}
},
{
"Subject ID":"B169",
"Sample ID":"B169u1.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"9","Species":"Human","RAW_FILE_NAME":"Frankenfeld048_MX395561_posHILIC_B169u1-2-009.d","Sample name":"B169u1.2_009","time":"1","visit":"1"}
},
{
"Subject ID":"B169",
"Sample ID":"B169u4.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"10","Species":"Human","RAW_FILE_NAME":"Frankenfeld004_MX395561_posHILIC_B169u4-2-010.d","Sample name":"B169u4.2_010","time":"1","visit":"4"}
},
{
"Subject ID":"B169",
"Sample ID":"B169u5.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"11","Species":"Human","RAW_FILE_NAME":"Frankenfeld003_MX395561_posHILIC_B169u5-2-011.d","Sample name":"B169u5.2_011","time":"2","visit":"5"}
},
{
"Subject ID":"B169",
"Sample ID":"B169u6.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"12","Species":"Human","RAW_FILE_NAME":"Frankenfeld007_MX395561_posHILIC_B169u6-2-012.d","Sample name":"B169u6.2_012","time":"2","visit":"6"}
},
{
"Subject ID":"B185",
"Sample ID":"B185u2.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"14","Species":"Human","RAW_FILE_NAME":"Frankenfeld002_MX395561_posHILIC_B185u5-2-014.d","Sample name":"B185u2.2_013","time":"1","visit":"2"}
},
{
"Subject ID":"B185",
"Sample ID":"B185u5.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"14","Species":"Human","RAW_FILE_NAME":"Frankenfeld061_MX395561_posHILIC_B185u2-2-014.d","Sample name":"B185u5.2_014","time":"2","visit":"5"}
},
{
"Subject ID":"B199",
"Sample ID":"B199u6.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"15","Species":"Human","RAW_FILE_NAME":"Frankenfeld041_MX395561_posHILIC_B199u6-2-015.d","Sample name":"B199u6.2_015","time":"1","visit":"6"}
},
{
"Subject ID":"B199",
"Sample ID":"B199u7.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"16","Species":"Human","RAW_FILE_NAME":"Frankenfeld046_MX395561_posHILIC_B199u7-2-016.d","Sample name":"B199u7.2_016","time":"2","visit":"7"}
},
{
"Subject ID":"B234",
"Sample ID":"B234u1.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"17","Species":"Human","RAW_FILE_NAME":"Frankenfeld059_MX395561_posHILIC_B234u1-2-017.d","Sample name":"B234u1.2_017","time":"1","visit":"1"}
},
{
"Subject ID":"B234",
"Sample ID":"B234u6.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"18","Species":"Human","RAW_FILE_NAME":"Frankenfeld053_MX395561_posHILIC_B234u6-2-018.d","Sample name":"B234u6.2_018","time":"2","visit":"6"}
},
{
"Subject ID":"B248",
"Sample ID":"B248u1.2",
"Factors":{"Organ":"Urine","Treatment":"NC0","Group":"NC0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"19","Species":"Human","RAW_FILE_NAME":"Frankenfeld005_MX395561_posHILIC_B248u1-2-019.d","Sample name":"B248u1.2_019","time":"1","visit":"1"}
},
{
"Subject ID":"B248",
"Sample ID":"B248u2.2",
"Factors":{"Organ":"Urine","Treatment":"NC0","Group":"NC0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"20","Species":"Human","RAW_FILE_NAME":"Frankenfeld025_MX395561_posHILIC_B248u2-2-020.d","Sample name":"B248u2.2_020","time":"2","visit":"2"}
},
{
"Subject ID":"B311",
"Sample ID":"B311u2.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"21","Species":"Human","RAW_FILE_NAME":"Frankenfeld037_MX395561_posHILIC_B311u2-2-021.d","Sample name":"B311u2.2_021","time":"1","visit":"2"}
},
{
"Subject ID":"B311",
"Sample ID":"B311u5.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"22","Species":"Human","RAW_FILE_NAME":"Frankenfeld026_MX395561_posHILIC_B311u5-2-022.d","Sample name":"B311u5.2_022","time":"2","visit":"5"}
},
{
"Subject ID":"B311",
"Sample ID":"B311u6.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"23","Species":"Human","RAW_FILE_NAME":"Frankenfeld049_MX395561_posHILIC_B311u6-2-023.d","Sample name":"B311u6.2_023","time":"1","visit":"6"}
},
{
"Subject ID":"B311",
"Sample ID":"B311u8.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"24","Species":"Human","RAW_FILE_NAME":"Frankenfeld038_MX395561_posHILIC_B311u8-2-024.d","Sample name":"B311u8.2_024","time":"2","visit":"8"}
},
{
"Subject ID":"B312",
"Sample ID":"B312u3.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"25","Species":"Human","RAW_FILE_NAME":"Frankenfeld034_MX395561_posHILIC_B312u3-2-025.d","Sample name":"B312u3.2_025","time":"1","visit":"3"}
},
{
"Subject ID":"B312",
"Sample ID":"B312u4.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"26","Species":"Human","RAW_FILE_NAME":"Frankenfeld058_MX395561_posHILIC_B312u4-2-026.d","Sample name":"B312u4.2_026","time":"2","visit":"4"}
},
{
"Subject ID":"B312",
"Sample ID":"B312u5.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"27","Species":"Human","RAW_FILE_NAME":"Frankenfeld008_MX395561_posHILIC_B312u5-2-027.d","Sample name":"B312u5.2_027","time":"1","visit":"5"}
},
{
"Subject ID":"B312",
"Sample ID":"B312u6.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"28","Species":"Human","RAW_FILE_NAME":"Frankenfeld020_MX395561_posHILIC_B312u6-2-028.d","Sample name":"B312u6.2_028","time":"2","visit":"6"}
},
{
"Subject ID":"B328",
"Sample ID":"B328u2.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"29","Species":"Human","RAW_FILE_NAME":"Frankenfeld011_MX395561_posHILIC_B328u2-2-029.d","Sample name":"B328u2.2_029","time":"1","visit":"2"}
},
{
"Subject ID":"B328",
"Sample ID":"B328u3.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"30","Species":"Human","RAW_FILE_NAME":"Frankenfeld012_MX395561_posHILIC_B328u3-2-030.d","Sample name":"B328u3.2_030","time":"2","visit":"3"}
},
{
"Subject ID":"B328",
"Sample ID":"B328u5.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"31","Species":"Human","RAW_FILE_NAME":"Frankenfeld047_MX395561_posHILIC_B328u5-2-031.d","Sample name":"B328u5.2_031","time":"1","visit":"5"}
},
{
"Subject ID":"B328",
"Sample ID":"B328u8.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"32","Species":"Human","RAW_FILE_NAME":"Frankenfeld035_MX395561_posHILIC_B328u8-2-032.d","Sample name":"B328u8.2_032","time":"2","visit":"8"}
},
{
"Subject ID":"B334",
"Sample ID":"B334u2.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"33","Species":"Human","RAW_FILE_NAME":"Frankenfeld052_MX395561_posHILIC_B334u2-2-033.d","Sample name":"B334u2.2_033","time":"1","visit":"2"}
},
{
"Subject ID":"B334",
"Sample ID":"B334u5.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"34","Species":"Human","RAW_FILE_NAME":"Frankenfeld009_MX395561_posHILIC_B334u5-2-034.d","Sample name":"B334u5.2_034","time":"1","visit":"5"}
},
{
"Subject ID":"B334",
"Sample ID":"B334u7.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"35","Species":"Human","RAW_FILE_NAME":"Frankenfeld027_MX395561_posHILIC_B334u7-2-035.d","Sample name":"B334u7.2_035","time":"2","visit":"7"}
},
{
"Subject ID":"B334",
"Sample ID":"B334u8.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"36","Species":"Human","RAW_FILE_NAME":"Frankenfeld006_MX395561_posHILIC_B334u8-2-036.d","Sample name":"B334u8.2_036","time":"2","visit":"8"}
},
{
"Subject ID":"B393",
"Sample ID":"B393u1.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"37","Species":"Human","RAW_FILE_NAME":"Frankenfeld017_MX395561_posHILIC_B393u1-2-037.d","Sample name":"B393u1.2_037","time":"1","visit":"1"}
},
{
"Subject ID":"B393",
"Sample ID":"B393u2.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"38","Species":"Human","RAW_FILE_NAME":"Frankenfeld021_MX395561_posHILIC_B393u2-2-038.d","Sample name":"B393u2.2_038","time":"1","visit":"2"}
},
{
"Subject ID":"B393",
"Sample ID":"B393u3.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"39","Species":"Human","RAW_FILE_NAME":"Frankenfeld036_MX395561_posHILIC_B393u3-2-039.d","Sample name":"B393u3.2_039","time":"2","visit":"3"}
},
{
"Subject ID":"B393",
"Sample ID":"B393u8.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"40","Species":"Human","RAW_FILE_NAME":"Frankenfeld043_MX395561_posHILIC_B393u8-2-040.d","Sample name":"B393u8.2_040","time":"2","visit":"8"}
},
{
"Subject ID":"B407",
"Sample ID":"B407u2.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"41","Species":"Human","RAW_FILE_NAME":"Frankenfeld028_MX395561_posHILIC_B407u2-2-041.d","Sample name":"B407u2.2_041","time":"1","visit":"2"}
},
{
"Subject ID":"B407",
"Sample ID":"B407u3.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"42","Species":"Human","RAW_FILE_NAME":"Frankenfeld029_MX395561_posHILIC_B407u3-2-042.d","Sample name":"B407u3.2_042","time":"2","visit":"3"}
},
{
"Subject ID":"B407",
"Sample ID":"B407u5.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"43","Species":"Human","RAW_FILE_NAME":"Frankenfeld010_MX395561_posHILIC_B407u5-2-043.d","Sample name":"B407u5.2_043","time":"1","visit":"5"}
},
{
"Subject ID":"B407",
"Sample ID":"B407u6.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"44","Species":"Human","RAW_FILE_NAME":"Frankenfeld030_MX395561_posHILIC_B407u6-2-044.d","Sample name":"B407u6.2_044","time":"2","visit":"6"}
},
{
"Subject ID":"B431",
"Sample ID":"B431u3.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"45","Species":"Human","RAW_FILE_NAME":"Frankenfeld057_MX395561_posHILIC_B431u3-2-045.d","Sample name":"B431u3.2_045","time":"1","visit":"3"}
},
{
"Subject ID":"B431",
"Sample ID":"B431u5.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"46","Species":"Human","RAW_FILE_NAME":"Frankenfeld023_MX395561_posHILIC_B431u5-2-046.d","Sample name":"B431u5.2_046","time":"2","visit":"5"}
},
{
"Subject ID":"B434",
"Sample ID":"B434u1.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"47","Species":"Human","RAW_FILE_NAME":"Frankenfeld032_MX395561_posHILIC_B434u1-2-047.d","Sample name":"B434u1.2_047","time":"1","visit":"1"}
},
{
"Subject ID":"B434",
"Sample ID":"B434u5.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"48","Species":"Human","RAW_FILE_NAME":"Frankenfeld024_MX395561_posHILIC_B434u5-2-048.d","Sample name":"B434u5.2_048","time":"2","visit":"5"}
},
{
"Subject ID":"B434",
"Sample ID":"B434u6.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"49","Species":"Human","RAW_FILE_NAME":"Frankenfeld044_MX395561_posHILIC_B434u6-2-049.d","Sample name":"B434u6.2_049","time":"1","visit":"6"}
},
{
"Subject ID":"B434",
"Sample ID":"B434u7.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"50","Species":"Human","RAW_FILE_NAME":"Frankenfeld019_MX395561_posHILIC_B434u7-2-050.d","Sample name":"B434u7.2_050","time":"2","visit":"7"}
},
{
"Subject ID":"B455",
"Sample ID":"B455u2.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"51","Species":"Human","RAW_FILE_NAME":"Frankenfeld031_MX395561_posHILIC_B455u2-2-051.d","Sample name":"B455u2.2_051","time":"1","visit":"2"}
},
{
"Subject ID":"B455",
"Sample ID":"B455u5.2",
"Factors":{"Organ":"Urine","Treatment":"C1","Group":"C1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"52","Species":"Human","RAW_FILE_NAME":"Frankenfeld056_MX395561_posHILIC_B455u5-2-052.d","Sample name":"B455u5.2_052","time":"2","visit":"5"}
},
{
"Subject ID":"B455",
"Sample ID":"B455u6.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"53","Species":"Human","RAW_FILE_NAME":"Frankenfeld045_MX395561_posHILIC_B455u6-2-053.d","Sample name":"B455u6.2_053","time":"1","visit":"6"}
},
{
"Subject ID":"B455",
"Sample ID":"B455u7.2",
"Factors":{"Organ":"Urine","Treatment":"C0","Group":"C0","ODMAmetabotye":"Nonproducer"},
"Additional sample data":{"Sample #":"54","Species":"Human","RAW_FILE_NAME":"Frankenfeld013_MX395561_posHILIC_B455u7-2-054.d","Sample name":"B455u7.2_054","time":"2","visit":"7"}
},
{
"Subject ID":"B483",
"Sample ID":"B483u2.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"55","Species":"Human","RAW_FILE_NAME":"Frankenfeld060_MX395561_posHILIC_B483u2-2-055.d","Sample name":"B483u2.2_055","time":"1","visit":"2"}
},
{
"Subject ID":"B483",
"Sample ID":"B483u7.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"56","Species":"Human","RAW_FILE_NAME":"Frankenfeld033_MX395561_posHILIC_B483u7-2-056.d","Sample name":"B483u7.2_056","time":"2","visit":"7"}
},
{
"Subject ID":"B524",
"Sample ID":"B524u6.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"57","Species":"Human","RAW_FILE_NAME":"Frankenfeld054_MX395561_posHILIC_B524u6-2-057.d","Sample name":"B524u6.2_057","time":"1","visit":"6"}
},
{
"Subject ID":"B524",
"Sample ID":"B524u8.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"58","Species":"Human","RAW_FILE_NAME":"Frankenfeld016_MX395561_posHILIC_B524u8-2-058.d","Sample name":"B524u8.2_058","time":"2","visit":"8"}
},
{
"Subject ID":"B532",
"Sample ID":"B532u1.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"59","Species":"Human","RAW_FILE_NAME":"Frankenfeld039_MX395561_posHILIC_B532u1-2-059.d","Sample name":"B532u1.2_059","time":"1","visit":"1"}
},
{
"Subject ID":"B532",
"Sample ID":"B532u4.4",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"60","Species":"Human","RAW_FILE_NAME":"Frankenfeld050_MX395561_posHILIC_B532u4-4-060.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"B532u5.2",
"Factors":{"Organ":"Urine","Treatment":"NC1","Group":"NC1","ODMAmetabotye":"Producer"},
"Additional sample data":{"Sample #":"61","Species":"Human","RAW_FILE_NAME":"Frankenfeld022_MX395561_posHILIC_B532u5-2-061.d","Sample name":"B532u5.2_061","time":"2","visit":"5"}
},
{
"Subject ID":"-",
"Sample ID":"Biorec001",
"Factors":{"Organ":"Plasma","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"QC","Species":"Human","RAW_FILE_NAME":"Biorec001_MX395561_posHILIC_preFrankenfeld001.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Biorec002",
"Factors":{"Organ":"Plasma","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"QC","Species":"Human","RAW_FILE_NAME":"Biorec002_MX395561_posHILIC_postFrankenfeld010.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Biorec003",
"Factors":{"Organ":"Plasma","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"QC","Species":"Human","RAW_FILE_NAME":"Biorec003_MX395561_posHILIC_postFrankenfeld020.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Biorec004",
"Factors":{"Organ":"Plasma","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"QC","Species":"Human","RAW_FILE_NAME":"Biorec004_MX395561_posHILIC_postFrankenfeld030.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Biorec005",
"Factors":{"Organ":"Plasma","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"QC","Species":"Human","RAW_FILE_NAME":"Biorec005_MX395561_posHILIC_postFrankenfeld040.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Biorec006",
"Factors":{"Organ":"Plasma","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"QC","Species":"Human","RAW_FILE_NAME":"Biorec006_MX395561_posHILIC_postFrankenfeld050.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"MtdBlank001",
"Factors":{"Organ":"-","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"Blank","Species":"-","RAW_FILE_NAME":"MtdBlank001_MX395561_posHILIC_preFrankenfeld001.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"MtdBlank002",
"Factors":{"Organ":"-","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"Blank","Species":"-","RAW_FILE_NAME":"MtdBlank002_MX395561_posHILIC_postFrankenfeld010.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"MtdBlank003",
"Factors":{"Organ":"-","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"Blank","Species":"-","RAW_FILE_NAME":"MtdBlank003_MX395561_posHILIC_postFrankenfeld020.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"MtdBlank004",
"Factors":{"Organ":"-","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"Blank","Species":"-","RAW_FILE_NAME":"MtdBlank004_MX395561_posHILIC_postFrankenfeld030.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"MtdBlank005",
"Factors":{"Organ":"-","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"Blank","Species":"-","RAW_FILE_NAME":"MtdBlank005_MX395561_posHILIC_postFrankenfeld040.d","Sample name":"-","time":"-","visit":"-"}
},
{
"Subject ID":"-",
"Sample ID":"MtdBlank006",
"Factors":{"Organ":"-","Treatment":"-","Group":"-","ODMAmetabotye":"-"},
"Additional sample data":{"Sample #":"Blank","Species":"-","RAW_FILE_NAME":"MtdBlank006_MX395561_posHILIC_postFrankenfeld050.d","Sample name":"-","time":"-","visit":"-"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Urine biospecimens were collected during cross-over trial among premenopausal women conducted from 2007-2010, and details about the study design and population are published (Morimoto et al 2014; Maskarinec et al 2011; Maskarinec et al 2012). The BEAN2 trial was a cross-over study with six months on a high- and a low-soy diet, each separated by a 1-month washout period.","SAMPLE_TYPE":"Urine"},

"TREATMENT":{"TREATMENT_SUMMARY":"As part of the parent study, daidzein, equol, and ODMA concentrations were analyzed by liquid chromatography tandem mass spectrometry (LC-MS/MS). These previously measured concentrations were used to classify metabotypes. Each urine sample was identified as being ODMA producer/non-producer and equol producer/non-producer based on a cut-off of equol/ODMA:daidzein ratio of 0.018. All samples, except two samples, which were excluded from selection, had daidzein concentrations >2 nmol/mg creatinine, indicating sufficient presence of the precursor metabolite for metabolite detection."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Urine biospecimens were collected during cross-over trial among premenopausal women conducted from 2007-2010, and urine sample aliquots used for this analysis were kept frozen at -80C."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Unspecified","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"See uploaded file."},

"MS_METABOLITE_DATA":{
"Units":"Peak height",

"Data":[{"Metabolite":"1_15N2-L-Arginine iSTD","B105u3.1":"10730541","B105u4.2":"10053546","B126u2.2":"9115262","B126u7.2":"8729393","B134u1.2":"10599960","B134u2.2":"12196885","B134u4.2":"9393072","B134u5.2":"9346700","B169u1.2":"6977550","B169u4.2":"11449732","B169u5.2":"7900885","B169u6.2":"9541224","B185u2.2":"13928559","B185u5.2":"9109849","B199u6.2":"9712517","B199u7.2":"7699064","B234u1.2":"12457824","B234u6.2":"6897983","B248u1.2":"6240276","B248u2.2":"8688599","B311u2.2":"8403153","B311u5.2":"8701906","B311u6.2":"7589143","B311u8.2":"11166425","B312u3.2":"6980588","B312u4.2":"10468802","B312u5.2":"8244536","B312u6.2":"10268956","B328u2.2":"8483177","B328u3.2":"13581642","B328u5.2":"7840489","B328u8.2":"7601416","B334u2.2":"11475074","B334u5.2":"11667005","B334u7.2":"10690507","B334u8.2":"9773017","B393u1.2":"10089965","B393u2.2":"9484661","B393u3.2":"7106810","B393u8.2":"10974353","B407u2.2":"9542335","B407u3.2":"6387434","B407u5.2":"10106059","B407u6.2":"14225406","B431u3.2":"8120428","B431u5.2":"7338734","B434u1.2":"8282319","B434u5.2":"10790839","B434u6.2":"9973447","B434u7.2":"10498259","B455u2.2":"9452456","B455u5.2":"11508212","B455u6.2":"10377550","B455u7.2":"6999271","B483u2.2":"11715218","B483u7.2":"10709135","B524u6.2":"10493740","B524u8.2":"10549772","B532u1.2":"14024705","B532u4.4":"9562857","B532u5.2":"7613410","Biorec001":"8867294","Biorec002":"9214292","Biorec003":"9688781","Biorec004":"8758700","Biorec005":"9683365","Biorec006":"9304278","MtdBlank001":"17425026","MtdBlank002":"19084234","MtdBlank003":"17889730","MtdBlank004":"13856192","MtdBlank005":"17069842","MtdBlank006":"22885942"},{"Metabolite":"1_CUDA iSTD","B105u3.1":"31144380","B105u4.2":"34288864","B126u2.2":"32828004","B126u7.2":"31710628","B134u1.2":"34171152","B134u2.2":"30021472","B134u4.2":"33647608","B134u5.2":"29471732","B169u1.2":"33775808","B169u4.2":"32610894","B169u5.2":"30377014","B169u6.2":"31504596","B185u2.2":"33258764","B185u5.2":"35805552","B199u6.2":"31258760","B199u7.2":"22225258","B234u1.2":"34177180","B234u6.2":"33747828","B248u1.2":"28077850","B248u2.2":"32343236","B311u2.2":"30840594","B311u5.2":"35189420","B311u6.2":"32893022","B311u8.2":"33970336","B312u3.2":"30249294","B312u4.2":"36129044","B312u5.2":"33124526","B312u6.2":"32134394","B328u2.2":"31284300","B328u3.2":"27810386","B328u5.2":"32942990","B328u8.2":"30424450","B334u2.2":"32740168","B334u5.2":"30087936","B334u7.2":"31363936","B334u8.2":"27219442","B393u1.2":"34418444","B393u2.2":"31229552","B393u3.2":"32732958","B393u8.2":"30005262","B407u2.2":"31149342","B407u3.2":"23834510","B407u5.2":"32832544","B407u6.2":"32181726","B431u3.2":"32631762","B431u5.2":"31700642","B434u1.2":"34671180","B434u5.2":"30577724","B434u6.2":"32061918","B434u7.2":"30884036","B455u2.2":"32247168","B455u5.2":"33594668","B455u6.2":"30320936","B455u7.2":"27441570","B483u2.2":"34639420","B483u7.2":"31466218","B524u6.2":"32099220","B524u8.2":"23314200","B532u1.2":"29816290","B532u4.4":"30922142","B532u5.2":"31373664","Biorec001":"32011120","Biorec002":"31338208","Biorec003":"33914684","Biorec004":"30467726","Biorec005":"34377756","Biorec006":"33595060","MtdBlank001":"31871790","MtdBlank002":"31770030","MtdBlank003":"30816722","MtdBlank004":"25135486","MtdBlank005":"34041668","MtdBlank006":"32285294"},{"Metabolite":"1_D3-1-Methylnicotinamide iSTD","B105u3.1":"429601312","B105u4.2":"443546432","B126u2.2":"448168320","B126u7.2":"367856416","B134u1.2":"433539840","B134u2.2":"440335520","B134u4.2":"475206784","B134u5.2":"392235328","B169u1.2":"455932448","B169u4.2":"443936064","B169u5.2":"428246400","B169u6.2":"443441792","B185u2.2":"444321120","B185u5.2":"498590272","B199u6.2":"447821248","B199u7.2":"343164352","B234u1.2":"473035520","B234u6.2":"449873312","B248u1.2":"454599744","B248u2.2":"418623776","B311u2.2":"413460320","B311u5.2":"420568800","B311u6.2":"450392672","B311u8.2":"429333344","B312u3.2":"405772096","B312u4.2":"466930336","B312u5.2":"454667552","B312u6.2":"442102016","B328u2.2":"429166464","B328u3.2":"434749536","B328u5.2":"477371488","B328u8.2":"452169344","B334u2.2":"462833760","B334u5.2":"466737984","B334u7.2":"449993216","B334u8.2":"422735616","B393u1.2":"425278944","B393u2.2":"408540384","B393u3.2":"434737376","B393u8.2":"432020288","B407u2.2":"451211904","B407u3.2":"312798496","B407u5.2":"460165568","B407u6.2":"440993120","B431u3.2":"484671104","B431u5.2":"423868448","B434u1.2":"443218560","B434u5.2":"431086656","B434u6.2":"449882432","B434u7.2":"426896896","B455u2.2":"436162720","B455u5.2":"460121792","B455u6.2":"450603744","B455u7.2":"436720512","B483u2.2":"431893088","B483u7.2":"446545600","B524u6.2":"466779520","B524u8.2":"319156768","B532u1.2":"452741952","B532u4.4":"480027424","B532u5.2":"459644480","Biorec001":"454229824","Biorec002":"446356832","Biorec003":"433233600","Biorec004":"424171072","Biorec005":"455398272","Biorec006":"487462176","MtdBlank001":"445888160","MtdBlank002":"438121856","MtdBlank003":"469031808","MtdBlank004":"370290848","MtdBlank005":"464770752","MtdBlank006":"499524128"},{"Metabolite":"1_D3-AC(2:0) iSTD","B105u3.1":"40592232","B105u4.2":"39066844","B126u2.2":"38170828","B126u7.2":"30953458","B134u1.2":"33270470","B134u2.2":"36288552","B134u4.2":"45871964","B134u5.2":"35934560","B169u1.2":"38482800","B169u4.2":"35362424","B169u5.2":"33043134","B169u6.2":"38175096","B185u2.2":"40396984","B185u5.2":"39021164","B199u6.2":"38291124","B199u7.2":"28341994","B234u1.2":"38699200","B234u6.2":"37953120","B248u1.2":"35131928","B248u2.2":"35433052","B311u2.2":"34599344","B311u5.2":"28966272","B311u6.2":"40100660","B311u8.2":"35676696","B312u3.2":"33778248","B312u4.2":"40280156","B312u5.2":"33902156","B312u6.2":"35913816","B328u2.2":"32449900","B328u3.2":"33010520","B328u5.2":"38711288","B328u8.2":"33173764","B334u2.2":"39551680","B334u5.2":"38470088","B334u7.2":"34939856","B334u8.2":"36474844","B393u1.2":"36326548","B393u2.2":"33737600","B393u3.2":"37394456","B393u8.2":"36428564","B407u2.2":"38461700","B407u3.2":"26394808","B407u5.2":"38491208","B407u6.2":"36957292","B431u3.2":"41950936","B431u5.2":"35127328","B434u1.2":"37969992","B434u5.2":"34034228","B434u6.2":"40291108","B434u7.2":"35559920","B455u2.2":"37135320","B455u5.2":"37292052","B455u6.2":"39609548","B455u7.2":"35296880","B483u2.2":"30009714","B483u7.2":"26309156","B524u6.2":"35924752","B524u8.2":"25020906","B532u1.2":"38113628","B532u4.4":"44413108","B532u5.2":"38850900","Biorec001":"32701212","Biorec002":"35287472","Biorec003":"35473120","Biorec004":"33337046","Biorec005":"34613072","Biorec006":"36979972","MtdBlank001":"43974896","MtdBlank002":"41732680","MtdBlank003":"43753436","MtdBlank004":"34593800","MtdBlank005":"40392216","MtdBlank006":"48091900"},{"Metabolite":"1_D3-Creatine 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