{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003210","ANALYSIS_ID":"AN005262","PROJECT_ID":"PR002001","VERSION":"1","CREATED_ON":"May 17, 2024, 1:16 pm"},

"PROJECT":{"PROJECT_TITLE":"Untargeted metabolomics analysis on single cells and cell clusters of TNBC cell lines using mass spectrometry","PROJECT_SUMMARY":"Single cells and cell clusters construcetd from two triple-negative breast cancer cell lines (MDA-MB-231 and MDA-MB-453) were used to screen differential metabolites.","INSTITUTE":"NanJing Medical University","DEPARTMENT":"School of Pharmacy","LAST_NAME":"Wang","FIRST_NAME":"Zhongcheng","ADDRESS":"101Longmian Avenue, Jiangning District, Nanjing 211166, P.R. China","EMAIL":"1845775254@qq.com","PHONE":"025-86868326"},

"STUDY":{"STUDY_TITLE":"Untargeted metabolomics analysis on single cells and cell clusters of TNBC cell lines using mass spectrometry","STUDY_SUMMARY":"Triple-negative breast cancer (TNBC) is more aggressive than other subtypes of breast cancer， and 40% of TNBC patients undergo recurrence and metastasis after treatments. In the metastasis process, clustered cancer cells (cell clusters) exhibited a higher ability of invasion and metastasis. On the other hand, metabolic reprogramming is closely related to the process of cancer metastasis. To explore the metabolic heterogeneity between single cells and cell clusters, mass spectrometry-based untargeted metabolomic analysis was performed on single cells and cell clusters constructed from two TNBC cell lines (MDA-MB-231 and MDA-MB-453). As a result, metabolic profiling between single cells and cell clusters were explored and metabolites contributing to cell clustering were identified.","INSTITUTE":"Nanjing Medical University","LAST_NAME":"Wang","FIRST_NAME":"Zhongcheng","ADDRESS":"101Longmian Avenue, Jiangning District, Nanjing 211166, P.R. China","EMAIL":"1845775254@qq.com","PHONE":"025-86868326"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"UM001",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Blank-NPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM002",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Blank-NPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM003",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Blank-NPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM004",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Blank-RPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM005",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Blank-RPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM006",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Blank-RPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM007",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Blank-NPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM008",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Blank-NPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM009",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Blank-NPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM010",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Blank-RPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM011",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Blank-RPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM012",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Blank-RPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM013",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-NPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM014",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-NPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM015",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-NPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM016",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-NPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM017",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-NPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM018",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-NPC-06"}
},
{
"Subject ID":"-",
"Sample ID":"UM019",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-NPC-07"}
},
{
"Subject ID":"-",
"Sample ID":"UM020",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-NPC-08"}
},
{
"Subject ID":"-",
"Sample ID":"UM021",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-NPC-09"}
},
{
"Subject ID":"-",
"Sample ID":"UM022",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-NPC-10"}
},
{
"Subject ID":"-",
"Sample ID":"UM023",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-RPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM024",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-RPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM025",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-RPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM026",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-RPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM027",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-RPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM028",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-RPC-06"}
},
{
"Subject ID":"-",
"Sample ID":"UM029",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-RPC-07"}
},
{
"Subject ID":"-",
"Sample ID":"UM030",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-RPC-08"}
},
{
"Subject ID":"-",
"Sample ID":"UM031",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-RPC-09"}
},
{
"Subject ID":"-",
"Sample ID":"UM032",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Cell_clusters-RPC-10"}
},
{
"Subject ID":"-",
"Sample ID":"UM033",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-NPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM034",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-NPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM035",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-NPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM036",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-NPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM037",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-NPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM038",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-NPC-06"}
},
{
"Subject ID":"-",
"Sample ID":"UM039",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-NPC-07"}
},
{
"Subject ID":"-",
"Sample ID":"UM040",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-NPC-08"}
},
{
"Subject ID":"-",
"Sample ID":"UM041",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-NPC-09"}
},
{
"Subject ID":"-",
"Sample ID":"UM042",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-NPC-10"}
},
{
"Subject ID":"-",
"Sample ID":"UM043",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-RPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM044",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-RPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM045",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-RPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM046",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-RPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM047",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-RPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM048",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-RPC-06"}
},
{
"Subject ID":"-",
"Sample ID":"UM049",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-RPC-07"}
},
{
"Subject ID":"-",
"Sample ID":"UM050",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-RPC-08"}
},
{
"Subject ID":"-",
"Sample ID":"UM051",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-RPC-09"}
},
{
"Subject ID":"-",
"Sample ID":"UM052",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Cell_cluster"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Cell_clusters-RPC-10"}
},
{
"Subject ID":"-",
"Sample ID":"UM053",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_QCs-NPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM054",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_QCs-NPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM055",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_QCs-NPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM056",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_QCs-NPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM057",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_QCs-NPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM058",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_QCs-RPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM059",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_QCs-RPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM060",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_QCs-RPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM061",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_QCs-RPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM062",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_QCs-RPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM063",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_QCs-NPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM064",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_QCs-NPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM065",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_QCs-NPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM066",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_QCs-NPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM067",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_QCs-NPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM068",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_QCs-RPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM069",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_QCs-RPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM070",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_QCs-RPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM071",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_QCs-RPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM072",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"QCs"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_QCs-RPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM073",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-NPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM074",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-NPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM075",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-NPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM076",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-NPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM077",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-NPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM078",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-NPC-06"}
},
{
"Subject ID":"-",
"Sample ID":"UM079",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-NPC-07"}
},
{
"Subject ID":"-",
"Sample ID":"UM080",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-NPC-08"}
},
{
"Subject ID":"-",
"Sample ID":"UM081",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-NPC-09"}
},
{
"Subject ID":"-",
"Sample ID":"UM082",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-NPC-10"}
},
{
"Subject ID":"-",
"Sample ID":"UM083",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-RPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM084",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-RPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM085",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-RPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM086",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-RPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM087",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-RPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM088",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-RPC-06"}
},
{
"Subject ID":"-",
"Sample ID":"UM089",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-RPC-07"}
},
{
"Subject ID":"-",
"Sample ID":"UM090",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-RPC-08"}
},
{
"Subject ID":"-",
"Sample ID":"UM091",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-RPC-09"}
},
{
"Subject ID":"-",
"Sample ID":"UM092",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-231_Single_cells-RPC-10"}
},
{
"Subject ID":"-",
"Sample ID":"UM093",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-NPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM094",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-NPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM095",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-NPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM096",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-NPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM097",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-NPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM098",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-NPC-06"}
},
{
"Subject ID":"-",
"Sample ID":"UM099",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-NPC-07"}
},
{
"Subject ID":"-",
"Sample ID":"UM100",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-NPC-08"}
},
{
"Subject ID":"-",
"Sample ID":"UM101",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-NPC-09"}
},
{
"Subject ID":"-",
"Sample ID":"UM102",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-NPC-10"}
},
{
"Subject ID":"-",
"Sample ID":"UM103",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-RPC-01"}
},
{
"Subject ID":"-",
"Sample ID":"UM104",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-RPC-02"}
},
{
"Subject ID":"-",
"Sample ID":"UM105",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-RPC-03"}
},
{
"Subject ID":"-",
"Sample ID":"UM106",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-RPC-04"}
},
{
"Subject ID":"-",
"Sample ID":"UM107",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-RPC-05"}
},
{
"Subject ID":"-",
"Sample ID":"UM108",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-RPC-06"}
},
{
"Subject ID":"-",
"Sample ID":"UM109",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-RPC-07"}
},
{
"Subject ID":"-",
"Sample ID":"UM110",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-RPC-08"}
},
{
"Subject ID":"-",
"Sample ID":"UM111",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-RPC-09"}
},
{
"Subject ID":"-",
"Sample ID":"UM112",
"Factors":{"Sample source":"Breast Cancer Cell Line","Sample type":"Single_cell"},
"Additional sample data":{"RAW_FILE_NAME(Raw_file_name)":"MDA-MB-453_Single_cells-RPC-10"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Two hours before metabolite extraction, the cell culture medium was replaced with fresh medium. Single cell and cell cluster states were collected and centrifuged at 800 × g for 3 min to remove culture media. Then, the cells were resuspended in 1 mL of precooled PBS (4°C) and transferred into a 1.5 mL eppendorf tube. After removing supernatant by centrifugation at 800 × g for 3 min, the tube containing cell pellet was immediately incubated in liquid nitrogen for 1 min to quench enzyme activity and stop the degradation of metabolites.","COLLECTION_PROTOCOL_FILENAME":"WZC_Collection_protocol.pdf","SAMPLE_TYPE":"Cultured cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"MDA-MB-231 cells and MDA-MB-453 were maintained in L-15 medium supplemented with 10% fetal bovine serum (FBS) and 1% penicillin/streptomycin at 37 °C in a free gas exchange with atmospheric air."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"300 μL of H2O was then added to the tube, and the cells were fully lysed by an ultrasonic cell disruptor for 10 min at 4°C. After mixing, 20 μL of suspension was collected for protein quantification and subsequent data normalization. Then, methanol (precooled to −80°C) was added into the tube to make 80% methanol solution (v/v). The tube was vortexed vigorously for 5 min and centrifuged at 14,000 × g for 10 min at 4°C to remove the cell debris. Afterward, the metabolite-containing supernatant was transferred to a new tube on ice. The supernatant was evaporated to dryness in a vacuum concentrator and reconstituted in 100 μL of methanol: H2O (1:1, v/v), which was centrifuged again at 14000 × g for 15 min at 4°C to remove insoluble debris.","SAMPLEPREP_PROTOCOL_FILENAME":"Sampleprep_protocol.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"Agilent InfinityLab Poroshell 120 HILIC-Z (100 x 2.1mm, 2.7um)","SOLVENT_A":"100% Water; 25 mM Ammonium acetate; 25 mM Ammonium hydroxide","SOLVENT_B":"100% Acetonitrile","FLOW_GRADIENT":"85% B (0 min) to 85% B (1 min) to 65% B (12 min) to 40% B (12.1 min) to 40% B (15 min) to 85% B (15.1 min) to 85% B (20 min), the flow gradient increases linearly between the time points mentioned.","FLOW_RATE":"0.3 mL/min","COLUMN_TEMPERATURE":"40","METHODS_FILENAME":"Chromatography_methods.pdf"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"MS_analysis_protocol.pdf"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"All operations and acquisitions were controlled by Xcalibur 2.0.7 (Thermo Fisher Scientific, Bremen, Germany).UPLC-HRMS data were analyzed using MS-DIAL software after conversion to mzML file format using MSConvert (Version 3.0, ProteiWizard).","MS_RESULTS_FILE":"ST003210_AN005262_Results.txt UNITS:Peak area Has m/z:Yes Has RT:Yes RT units:Minutes"}

}