{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003315","ANALYSIS_ID":"AN005428","PROJECT_ID":"PR002062","VERSION":"1","CREATED_ON":"July 12, 2024, 5:48 pm"},

"PROJECT":{"PROJECT_TITLE":"Randomized phase II trial of pre-operative fulvestrant with or without enzalutamide for ER+/Her2- primary breast cancer: effects on tumor immune microenvironment and clinical outcomes.","PROJECT_SUMMARY":"Most ER+ breast cancers (BC) express androgen receptors (AR). This randomized phase II trial of 4 months of neoadjuvant fulvestrant (Fulv) alone or with enzalutamide (Combo) assessed whether the addition of AR blockade to Fulv would limit residual tumor at time of surgery, as measured by modified preoperative endocrine predictive index (PEPI) score. Eligible patients were women with ER+/HER2- primary BC cT2 or greater. Stratification factors were clinical node and T-stage. Fresh tumor biopsies were required at study entry, after 4 weeks on therapy (W5), and at surgery (W17). Laboratory analyses on tumors included immunochemistry (IHC) for ER/PR/AR/GR and Ki67 protein, evaluation of gene expression, multiplex for myeloid lineage immune cells, reverse phase protein array, and plasma metabolomic analyses. 59 out of 69 consented patients were evaluable. Toxicity was as expected with endocrine therapy. Combo achieved PEPI=0 more frequently (24%: 8/33) than Fulv (8%: 2/26). Ki67 was <10% across arms by W5 or surgery in most patients (23/33 (70%) on Combo, 21/26 (81%) on Fulv). mTOR activation was elevated in tumors with poor Ki67 response. Tumors in both arms showed decreased estrogen-regulated and cell division gene sets, while Combo uniquely exhibited enrichment of immune activation genes sets, including interferon gamma, complement, inflammation, antigen processing, and B and T cell activation. Multiplex IHC showed significantly reduced tumor-associated macrophages and CD14+/HLADR-/CD68- MDSCs with Combo at W5. In summary, Combo achieved a higher PEPI=0 response, Ki67 response, and more activated tumor immune microenvironment than Fulv. The odds of response were 4.6-fold higher for patients with ILC versus IDC.","INSTITUTE":"University of Colorado Anschutz Medical Campus","LABORATORY":"Core director Angelo D''Alessandro, study PI Jennifer Richer","LAST_NAME":"Haines","FIRST_NAME":"Julie","ADDRESS":"12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA","EMAIL":"julie.haines@cuanschutz.edu","PHONE":"3037243339"},

"STUDY":{"STUDY_TITLE":"Randomized phase II trial of pre-operative fulvestrant with or without enzalutamide for ER+/Her2- primary breast cancer: effects on tumor immune microenvironment and clinical outcomes.","STUDY_SUMMARY":"This randomized phase II trial of 4 months of neoadjuvant fulvestrant (Fulv) alone or with enzalutamide (Combo) assessed whether the addition of AR blockade to Fulv would limit residual tumor at time of surgery, as measured by modified preoperative endocrine predictive index (PEPI) score. Eligible patients were women with ER+/HER2- primary BC cT2 or greater. Lithium-heparin (LiHep) plasma samples were obtained every 4 weeks until surgery and one month after surgery then analyzed by MS-based metabolomics.","INSTITUTE":"University of Colorado Anschutz Medical Campus","LAST_NAME":"Haines","FIRST_NAME":"Julie","ADDRESS":"12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA","EMAIL":"julie.haines@cuanschutz.edu","PHONE":"3037243339"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"01-001",
"Sample ID":"AG-1",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"High BL, Low W5","PEPI Score":"0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-1"}
},
{
"Subject ID":"01-001",
"Sample ID":"AG-2",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"High BL, Low W5","PEPI Score":"0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-2"}
},
{
"Subject ID":"01-002",
"Sample ID":"AG-3",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-3"}
},
{
"Subject ID":"01-002",
"Sample ID":"AG-4",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-4"}
},
{
"Subject ID":"01-003",
"Sample ID":"AG-5",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-5"}
},
{
"Subject ID":"01-003",
"Sample ID":"AG-6",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-6"}
},
{
"Subject ID":"01-004",
"Sample ID":"AG-7",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-7"}
},
{
"Subject ID":"01-004",
"Sample ID":"AG-8",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-8"}
},
{
"Subject ID":"01-006",
"Sample ID":"AG-9",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-9"}
},
{
"Subject ID":"01-006",
"Sample ID":"AG-10",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-10"}
},
{
"Subject ID":"01-007",
"Sample ID":"AG-11",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-11"}
},
{
"Subject ID":"01-007",
"Sample ID":"AG-12",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-12"}
},
{
"Subject ID":"01-008",
"Sample ID":"AG-13",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-13"}
},
{
"Subject ID":"01-008",
"Sample ID":"AG-14",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-14"}
},
{
"Subject ID":"01-009",
"Sample ID":"AG-15",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-15"}
},
{
"Subject ID":"01-009",
"Sample ID":"AG-16",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-16"}
},
{
"Subject ID":"01-010",
"Sample ID":"AG-17",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-17"}
},
{
"Subject ID":"01-011",
"Sample ID":"AG-18",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-18"}
},
{
"Subject ID":"01-011",
"Sample ID":"AG-19",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-19"}
},
{
"Subject ID":"01-012",
"Sample ID":"AG-20",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-20"}
},
{
"Subject ID":"01-012",
"Sample ID":"AG-21",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-21"}
},
{
"Subject ID":"01-013",
"Sample ID":"AG-22",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"not available","PEPI Score":"0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-22"}
},
{
"Subject ID":"01-013",
"Sample ID":"AG-23",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"not available","PEPI Score":"0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-23"}
},
{
"Subject ID":"01-014",
"Sample ID":"AG-24",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-24"}
},
{
"Subject ID":"01-014",
"Sample ID":"AG-25",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-25"}
},
{
"Subject ID":"01-015",
"Sample ID":"AG-26",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-26"}
},
{
"Subject ID":"01-015",
"Sample ID":"AG-27",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-27"}
},
{
"Subject ID":"01-016",
"Sample ID":"AG-28",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-28"}
},
{
"Subject ID":"01-016",
"Sample ID":"AG-29",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-29"}
},
{
"Subject ID":"01-018",
"Sample ID":"AG-30",
"Factors":{"Sample source":"Plasma","Histology":"Other","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-30"}
},
{
"Subject ID":"01-018",
"Sample ID":"AG-31",
"Factors":{"Sample source":"Plasma","Histology":"Other","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-31"}
},
{
"Subject ID":"01-019",
"Sample ID":"AG-32",
"Factors":{"Sample source":"Plasma","Histology":"not available","Lab Ki67 Group":"not available","PEPI Score":"not available","Visit":"Baseline","Arm":"not enrolled, baseline only"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-32"}
},
{
"Subject ID":"01-020",
"Sample ID":"AG-33",
"Factors":{"Sample source":"Plasma","Histology":"Other","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-33"}
},
{
"Subject ID":"01-020",
"Sample ID":"AG-34",
"Factors":{"Sample source":"Plasma","Histology":"Other","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-34"}
},
{
"Subject ID":"01-021",
"Sample ID":"AG-35",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-35"}
},
{
"Subject ID":"01-021",
"Sample ID":"AG-36",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-36"}
},
{
"Subject ID":"01-022",
"Sample ID":"AG-37",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":"0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-37"}
},
{
"Subject ID":"01-022",
"Sample ID":"AG-38",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":"0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-38"}
},
{
"Subject ID":"01-023",
"Sample ID":"AG-39",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-39"}
},
{
"Subject ID":"01-023",
"Sample ID":"AG-40",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-40"}
},
{
"Subject ID":"02-001",
"Sample ID":"AG-41",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-41"}
},
{
"Subject ID":"02-001",
"Sample ID":"AG-42",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-42"}
},
{
"Subject ID":"02-002",
"Sample ID":"AG-43",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-43"}
},
{
"Subject ID":"02-002",
"Sample ID":"AG-44",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-44"}
},
{
"Subject ID":"02-003",
"Sample ID":"AG-45",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-45"}
},
{
"Subject ID":"02-004",
"Sample ID":"AG-46",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-46"}
},
{
"Subject ID":"02-004",
"Sample ID":"AG-47",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-47"}
},
{
"Subject ID":"02-005",
"Sample ID":"AG-48",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-48"}
},
{
"Subject ID":"02-005",
"Sample ID":"AG-49",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-49"}
},
{
"Subject ID":"02-007",
"Sample ID":"AG-50",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-50"}
},
{
"Subject ID":"02-008",
"Sample ID":"AG-51",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-51"}
},
{
"Subject ID":"02-009",
"Sample ID":"AG-52",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":"0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-52"}
},
{
"Subject ID":"02-009",
"Sample ID":"AG-53",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":"0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-53"}
},
{
"Subject ID":"02-010",
"Sample ID":"AG-54",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-54"}
},
{
"Subject ID":"02-010",
"Sample ID":"AG-55",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-55"}
},
{
"Subject ID":"02-011",
"Sample ID":"AG-56",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-56"}
},
{
"Subject ID":"02-011",
"Sample ID":"AG-57",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-57"}
},
{
"Subject ID":"02-012",
"Sample ID":"AG-58",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-58"}
},
{
"Subject ID":"02-012",
"Sample ID":"AG-59",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-59"}
},
{
"Subject ID":"02-013",
"Sample ID":"AG-60",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-60"}
},
{
"Subject ID":"02-013",
"Sample ID":"AG-61",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-61"}
},
{
"Subject ID":"02-014",
"Sample ID":"AG-62",
"Factors":{"Sample source":"Plasma","Histology":"Other","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-62"}
},
{
"Subject ID":"02-014",
"Sample ID":"AG-63",
"Factors":{"Sample source":"Plasma","Histology":"Other","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-63"}
},
{
"Subject ID":"03-001",
"Sample ID":"AG-64",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-64"}
},
{
"Subject ID":"03-003",
"Sample ID":"AG-65",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-65"}
},
{
"Subject ID":"03-003",
"Sample ID":"AG-66",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-66"}
},
{
"Subject ID":"03-006",
"Sample ID":"AG-67",
"Factors":{"Sample source":"Plasma","Histology":"not available","Lab Ki67 Group":"not available","PEPI Score":"not available","Visit":"Baseline","Arm":"not enrolled, baseline only"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-67"}
},
{
"Subject ID":"03-007",
"Sample ID":"AG-68",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-68"}
},
{
"Subject ID":"03-007",
"Sample ID":"AG-69",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-69"}
},
{
"Subject ID":"03-008",
"Sample ID":"AG-70",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-70"}
},
{
"Subject ID":"03-008",
"Sample ID":"AG-71",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-71"}
},
{
"Subject ID":"03-010",
"Sample ID":"AG-72",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-72"}
},
{
"Subject ID":"03-010",
"Sample ID":"AG-73",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-73"}
},
{
"Subject ID":"03-011",
"Sample ID":"AG-74",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-74"}
},
{
"Subject ID":"03-011",
"Sample ID":"AG-75",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":"0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-75"}
},
{
"Subject ID":"03-012",
"Sample ID":"AG-76",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-76"}
},
{
"Subject ID":"03-012",
"Sample ID":"AG-77",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-77"}
},
{
"Subject ID":"03-013",
"Sample ID":"AG-78",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-78"}
},
{
"Subject ID":"03-013",
"Sample ID":"AG-79",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-79"}
},
{
"Subject ID":"03-014",
"Sample ID":"AG-80",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-80"}
},
{
"Subject ID":"03-014",
"Sample ID":"AG-81",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-81"}
},
{
"Subject ID":"03-015",
"Sample ID":"AG-82",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-82"}
},
{
"Subject ID":"03-015",
"Sample ID":"AG-83",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-83"}
},
{
"Subject ID":"03-016",
"Sample ID":"AG-84",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-84"}
},
{
"Subject ID":"03-016",
"Sample ID":"AG-85",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-85"}
},
{
"Subject ID":"03-017",
"Sample ID":"AG-86",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-86"}
},
{
"Subject ID":"03-017",
"Sample ID":"AG-87",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-87"}
},
{
"Subject ID":"03-018",
"Sample ID":"AG-88",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-88"}
},
{
"Subject ID":"03-018",
"Sample ID":"AG-89",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-89"}
},
{
"Subject ID":"03-019",
"Sample ID":"AG-90",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-90"}
},
{
"Subject ID":"03-019",
"Sample ID":"AG-91",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-91"}
},
{
"Subject ID":"03-020",
"Sample ID":"AG-92",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-92"}
},
{
"Subject ID":"03-020",
"Sample ID":"AG-93",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-93"}
},
{
"Subject ID":"03-021",
"Sample ID":"AG-94",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-94"}
},
{
"Subject ID":"03-021",
"Sample ID":"AG-95",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-95"}
},
{
"Subject ID":"03-022",
"Sample ID":"AG-96",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-96"}
},
{
"Subject ID":"03-022",
"Sample ID":"AG-97",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-97"}
},
{
"Subject ID":"03-023",
"Sample ID":"AG-98",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-98"}
},
{
"Subject ID":"03-023",
"Sample ID":"AG-99",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-99"}
},
{
"Subject ID":"03-024",
"Sample ID":"AG-100",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-100"}
},
{
"Subject ID":"03-024",
"Sample ID":"AG-101",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-101"}
},
{
"Subject ID":"03-026",
"Sample ID":"AG-102",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-102"}
},
{
"Subject ID":"03-026",
"Sample ID":"AG-103",
"Factors":{"Sample source":"Plasma","Histology":"Lobular","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-103"}
},
{
"Subject ID":"03-028",
"Sample ID":"AG-104",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-104"}
},
{
"Subject ID":"03-028",
"Sample ID":"AG-105",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-105"}
},
{
"Subject ID":"03-029",
"Sample ID":"AG-106",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-106"}
},
{
"Subject ID":"03-029",
"Sample ID":"AG-107",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-107"}
},
{
"Subject ID":"03-030",
"Sample ID":"AG-108",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"not available","PEPI Score":">0","Visit":"C4D1","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-108"}
},
{
"Subject ID":"03-031",
"Sample ID":"AG-109",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"High BL, High W5","PEPI Score":">0","Visit":"Baseline","Arm":"Fulvestrant"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-109"}
},
{
"Subject ID":"03-032",
"Sample ID":"AG-110",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"Baseline","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-110"}
},
{
"Subject ID":"03-032",
"Sample ID":"AG-111",
"Factors":{"Sample source":"Plasma","Histology":"Ductal","Lab Ki67 Group":"Low BL, Low W5","PEPI Score":">0","Visit":"C4D1","Arm":"Combination"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"AG-111"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Lithium-heparin (LiHep) plasma samples were obtained every 4 weeks until surgery and one month after surgery. After collection LiHep vacutainers were centrifuged for 20 minutes (600 x g), separated plasma was transferred to a 15 mL conical tube, centrifuged a second time for 15 minutes (1500 x g), aliquoted into 500 uL aliquots, and stored at -80⁰C until analysis.","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Study design and treatments NCT02955394 (COMIRB 16-1042) was an open-label randomized phase II trial of fulvestrant with or without enzalutamide. Fulvestrant 500 mg IM was administered on day 1, 15, 29, and then every 4 weeks for a total of 4 months. Enzalutamide 160 mg po daily was given concurrently for 4 months for those women assigned to the combination (Fig. 1A). Surgery was anticipated to occur immediately after week 17, upon completion of enzalutamide; however timing was subject to surgeon and operating suite availability. As drug supply was limited, enzalutamide could not always be continued until the day prior to surgery as originally planned. Stratification factors were institution, clinical node status (N0,N+), and T-stage (T2,T3/4). Pre- or peri-menopausal women received concurrent ovarian suppression with a gonadotropinreleasing hormone agonist. The study was conducted at the Universities of Colorado and Tennessee and Memorial Sloan Kettering Cancer Center. The study protocol and its amendments 16 were approved by the respective Institutional Review Boards as well as the Department of Defence HRPO committee. All patients provided written informed consent prior to participating in the study. The study was conducted under the principles of the World Medical Association, Declaration of Helsinki, and Good Clinical Practice guidelines of the International Conference on Harmonisation. The study did not require an Investigational New Drug Application. Drug support (enzalutamide) was provided by Astellas and Pfizer as part of this investigator-sponsored research study. Study population Eligible patients were women ≥18 years of age with adequate organ and bone marrow function and an ECOG performance score (PS) of 2 or less. All had primary breast cancer of at least 2 cm in size (>T2, N0-2, M0) determined to be ER positive and HER2 negative. Men were excluded due to potential confounding from androgenic stimuli. History of seizures was exclusionary due to the toxicity profile of enzalutamide. Determination of AR expression was not a requirement as it was expected that ~90% of tumors would stain for AR, and the assay has not yet been validated for clinical decision-making. Concomitant medications with substantial pharmacokinetic (PK) interaction with enzalutamide were avoided. Safety and antitumor assessment All patients who received at least one dose of enzalutamide were assessed for safety biweekly for the first 4 weeks, then every 4 weeks until 30 days after the last dose of enzalutamide. Safety and tolerability were determined by assessment of adverse events (AEs), physical examinations, ECOG PS, vital signs, and laboratory tests. The severity of abnormal laboratory values and AEs 17 were classified using the National Cancer Institute Common Terminology Criteria for Adverse Events (CTCAE), version 4.03. SAEs were also evaluated by Astellas Pharma Global Development – United States. A monthly teleconference was held amongst the institutional investigators to review patients and adverse events. An institutional Data Safety and Monitoring Committee at University of Colorado also had oversight for monitoring. Tissue acquisition Fresh tumor biopsies (core needle biopsies of the breast) were required at study entry (BL), and after 4 weeks on therapy (when both Fulv and E were likely at steady state concentrations) and these were termed “W5” biopsy. Fresh frozen and fixed tissue was collected at the time of surgery."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Plasma aliquots were thawed on ice then metabolites extracted from a 20 uL plasma aliquot using 480 uL of cold 5:3:2 MeOH:acetonitrile:water. Samples were vortexed 30 min at 4 degrees C then supernatants clarified by centrifugation (10 min, 10,000 g, 4 degrees C) and transferred to autosampler vials.","PROCESSING_STORAGE_CONDITIONS":"4℃","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Negative C18","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Phenomenex Kinetex C18 (150 x 2.1mm,1.7um)","SOLVENT_A":"95% water/5% acetonitrile; 1 mM ammonium acetate","SOLVENT_B":"95% acetonitrile/5% water; 1 mM ammonium acetate","FLOW_GRADIENT":"0-0.5 min 0% B, 0.5-1.1 min 0-100% B, 1.1-2.75 min hold at 100% B, 2.75-3 min 100-0% B, 3-5 min hold at 0% B","FLOW_RATE":"450 uL/min","COLUMN_TEMPERATURE":"45","SAMPLE_INJECTION":"10 uL"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Orbitrap Exploris 120","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"We use a Thermo Orbitrap Exploris 120. Resolution 120,000, scan range 65-975 m/z, maximum injection time 100 ms, microscans 1, automatic gain control (AGC) detection duration 20 msec, source voltage 2.0 kV, capillary temperature 320 C, vaporizer temp 200 C, and sheath gas 50, auxiliary gas 10, and sweep gas 1 (all nitrogen). Data converted to mzXML using RawConverter. Metabolites were annotated and integrated using Maven in conjunction with the KEGG database."},

"MS_METABOLITE_DATA":{
"Units":"peak area",

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ID":"C00392","m/z":"181.070724","r.t.":"0.664"},{"Metabolite":"D-Ribose","KEGG or HMDB ID":"C00121","m/z":"149.045181","r.t.":"0.652"},{"Metabolite":"D-Rhamnose","KEGG or HMDB ID":"C01684","m/z":"163.060822","r.t.":"0.666"},{"Metabolite":"Citrate","KEGG or HMDB ID":"C00158","m/z":"191.019516","r.t.":"0.592"},{"Metabolite":"2-Oxoglutaramate","KEGG or HMDB ID":"C00940","m/z":"144.030045","r.t.":"0.63"},{"Metabolite":"Succinate","KEGG or HMDB ID":"C00042","m/z":"117.019295","r.t.":"0.57"},{"Metabolite":"Malate","KEGG or HMDB ID":"C00149","m/z":"133.013962","r.t.":"0.562"},{"Metabolite":"2-Hydroxyglutarate/Citramalate","KEGG or HMDB ID":"C02630","m/z":"147.029526","r.t.":"0.608"},{"Metabolite":"alpha-D-Ribose 1-phosphate","KEGG or HMDB ID":"C00620","m/z":"229.011688","r.t.":"0.59"},{"Metabolite":"5-Oxoproline","KEGG or HMDB ID":"C01879","m/z":"128.035141","r.t.":"0.627"},{"Metabolite":"S-Glutathionyl-L-cysteine","KEGG or HMDB ID":"C05526","m/z":"425.079712","r.t.":"0.597"},{"Metabolite":"Dehydroascorbate","KEGG or HMDB ID":"C05422","m/z":"173.008804","r.t.":"0.619"},{"Metabolite":"gamma-L-Glutamyl-D-alanine","KEGG or HMDB ID":"C03738","m/z":"217.08255","r.t.":"0.612"},{"Metabolite":"(5-L-Glutamyl)-L-glutamine","KEGG or HMDB ID":"C05283","m/z":"274.103699","r.t.":"0.609"},{"Metabolite":"Tetrahydrofolate","KEGG or HMDB ID":"C00101","m/z":"444.159302","r.t.":"1.762"},{"Metabolite":"1-4-beta-D-Xylan","KEGG or HMDB ID":"C02352","m/z":"131.034958","r.t.":"0.652"},{"Metabolite":"Glycolate","KEGG or HMDB ID":"C00160","m/z":"75.008759","r.t.":"0.676"},{"Metabolite":"N-Acetylornithine","KEGG or HMDB ID":"C00437","m/z":"173.092957","r.t.":"0.665"},{"Metabolite":"Pantothenol","KEGG or HMDB ID":"C00864","m/z":"218.103134","r.t.":"0.654"},{"Metabolite":"3-Sulfocatechol","KEGG or HMDB ID":"C06336","m/z":"188.986267","r.t.":"0.667"},{"Metabolite":"(R)-S-Lactoylglutathione","KEGG or HMDB ID":"C03451","m/z":"378.10144","r.t.":"1.809"},{"Metabolite":"5-Hydroxyindoleacetate","KEGG or HMDB ID":"C05635","m/z":"190.052216","r.t.":"0.667"},{"Metabolite":"Glycerol 3-phosphate","KEGG or HMDB ID":"C00093","m/z":"171.006042","r.t.":"0.59"},{"Metabolite":"Ethanolamine phosphate","KEGG or HMDB ID":"C00346","m/z":"140.011658","r.t.":"0.635"},{"Metabolite":"Sphingosine 1-phosphate","KEGG or HMDB ID":"C06124","m/z":"378.240845","r.t.":"3.632"},{"Metabolite":"Sphinganine 1-phosphate","KEGG or HMDB ID":"C01120","m/z":"380.255981","r.t.":"3.662"},{"Metabolite":"Heptanoic acid","KEGG or HMDB ID":"C17714","m/z":"129.091843","r.t.":"1.822"},{"Metabolite":"Octanoic acid (caprylate)","KEGG or HMDB ID":"C06423","m/z":"143.107468","r.t.":"1.948"},{"Metabolite":"Decanoic acid (caprate)","KEGG or HMDB ID":"C01571","m/z":"171.138718","r.t.":"2.227"},{"Metabolite":"Dodecanoic acid (lauric acid)","KEGG or HMDB ID":"C02679","m/z":"199.169968","r.t.":"2.421"},{"Metabolite":"Tetradecanoic acid (myristic acid)","KEGG or HMDB ID":"C06424","m/z":"227.201218","r.t.":"2.682"},{"Metabolite":"Hexadecanoic acid (palmitic acid)","KEGG or HMDB ID":"C00249","m/z":"255.232452","r.t.":"3.072"},{"Metabolite":"Octadecanoic acid (stearic acid)","KEGG or HMDB ID":"C01530","m/z":"283.263855","r.t.":"3.66"},{"Metabolite":"Tetradecenoic acid (myristoleic acid)","KEGG or HMDB ID":"C08322","m/z":"225.185593","r.t.":"2.463"},{"Metabolite":"Hexadecenoic acid (Palmitoleic acid)","KEGG or HMDB ID":"C08362","m/z":"253.216827","r.t.":"2.72"},{"Metabolite":"Octadecenoic acid (Oleic acid)","KEGG or HMDB ID":"C00712","m/z":"281.248169","r.t.":"3.113"},{"Metabolite":"Linoleic acid ((9Z,12Z)-Octadecadienoic acid)","KEGG or HMDB ID":"C01595","m/z":"279.232483","r.t.":"2.778"},{"Metabolite":"a-Linolenic acid (Octadecatrienoic acid)","KEGG or HMDB ID":"C06427","m/z":"277.216888","r.t.":"2.569"},{"Metabolite":"Arachidonic acid (Eicosatetraenoic acid)","KEGG or HMDB ID":"C00219","m/z":"303.232574","r.t.":"2.679"},{"Metabolite":"Docosahexaenoic acid","KEGG or HMDB ID":"C06429","m/z":"327.232727","r.t.":"2.583"},{"Metabolite":"Dodecanedioic acid","KEGG or HMDB ID":"C02678","m/z":"229.144424","r.t.":"0.67"},{"Metabolite":"Eicosapentaenoic acid","KEGG or HMDB ID":"C06428","m/z":"301.216949","r.t.":"2.508"},{"Metabolite":"(8Z-11Z-14Z)-Icosatrienoic acid","KEGG or HMDB ID":"C03242","m/z":"305.248291","r.t.":"2.861"},{"Metabolite":"(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid","KEGG or HMDB ID":"C16513","m/z":"329.248383","r.t.":"2.704"},{"Metabolite":"Bilirubin","KEGG or HMDB ID":"C00486","m/z":"583.255432","r.t.":"3.237"}]
}

}