{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003103","ANALYSIS_ID":"AN005080","VERSION":"1","CREATED_ON":"February 19, 2024, 2:55 am"},

"PROJECT":{"PROJECT_TITLE":"Reinforcing the Evidence of Mitochondrial Dysfunction in Long COVID Patients using a Multiplatform Mass Spectrometry-based Metabolomics Approach","PROJECT_SUMMARY":"Despite the recent and increasing knowledge surrounding COVID-19 infection, the underlying mechanisms of the persistence of symptoms long time after the acute infection are still not completely understood. Here, a multiplatform mass spectrometry-based approach was used for metabolomic and lipidomic profiling of human plasma samples from Long COVID patients (n=40) to reveal mitochondrial dysfunction when compared with individuals fully recovered from acute mild COVID-19 (n=40). Untargeted metabolomic analysis using CE-ESI(+/–)-TOF-MS and GC-Q-MS was performed. Additionally, a lipidomic analysis using LC-ESI(+/–)-QTOF-MS based on an in-house library revealed 471 lipid species identified with high confidence annotation level. The integration of complementary analytical platforms has allowed a comprehensive metabolic and lipidomic characterization of plasma alterations in Long COVID disease that found 46 relevant metabolites which allowed to discriminate between Long COVID and fully recovered patients. We report specific metabolites altered in Long COVID, mainly related to a decrease in the amino acid metabolism and ceramide plasma levels, and an increase in the tricarboxylic acid (TCA) cycle, reinforcing the evidence of an impaired mitochondrial function. The most relevant alterations shown in this study will help to better understand the insights of Long COVID syndrome by providing a deeper knowledge of the metabolomic basis of the pathology.","INSTITUTE":"Univerisity CEU San Pablo","DEPARTMENT":"Chemistry and Biochemistry","LABORATORY":"CEMBIO","LAST_NAME":"Martinez","FIRST_NAME":"Sara","ADDRESS":"Urbanización Montepríncipe, Boadilla del Monte, Madrid, 28660, Spain","EMAIL":"sara.martinezlopez@ceu.es","PHONE":"(+34)913724769"},

"STUDY":{"STUDY_TITLE":"Reinforcing the Evidence of Mitochondrial Dysfunction in Long COVID Patients using a Multiplatform Mass Spectrometry-based Metabolomics Approach","STUDY_SUMMARY":"Despite the recent and increasing knowledge surrounding COVID-19 infection, the underlying mechanisms of the persistence of symptoms long time after the acute infection are still not completely understood. Here, a multiplatform mass spectrometry-based approach was used for metabolomic and lipidomic profiling of human plasma samples from Long COVID patients (n=40) to reveal mitochondrial dysfunction when compared with individuals fully recovered from acute mild COVID-19 (n=40). Untargeted metabolomic analysis using CE-ESI(+/–)-TOF-MS and GC-Q-MS was performed. Additionally, a lipidomic analysis using LC-ESI(+/–)-QTOF-MS based on an in-house library revealed 471 lipid species identified with high confidence annotation level. The integration of complementary analytical platforms has allowed a comprehensive metabolic and lipidomic characterization of plasma alterations in Long COVID disease that found 46 relevant metabolites which allowed to discriminate between Long COVID and fully recovered patients. We report specific metabolites altered in Long COVID, mainly related to a decrease in the amino acid metabolism and ceramide plasma levels, and an increase in the tricarboxylic acid (TCA) cycle, reinforcing the evidence of an impaired mitochondrial function. The most relevant alterations shown in this study will help to better understand the insights of Long COVID syndrome by providing a deeper knowledge of the metabolomic basis of the pathology.","INSTITUTE":"Universidad CEU San Pablo","DEPARTMENT":"Chemistry and Biochemistry","LABORATORY":"CEMBIO","LAST_NAME":"Martinez","FIRST_NAME":"Sara","ADDRESS":"Urbanización Montepríncipe, 28660, Boadilla del Monte, Madrid, Spain","EMAIL":"sara.martinezlopez@ceu.es","PHONE":"(+34)913724769","NUM_GROUPS":"2","TOTAL_SUBJECTS":"80","NUM_MALES":"14","NUM_FEMALES":"66"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"C1",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C1.mzML","RAW_FILE_NAME":"CEMSNEG_C1.mzML","RAW_FILE_NAME":"GCMS_C1.mzML","RAW_FILE_NAME":"LCMSPOS_C1.mzML","RAW_FILE_NAME":"LCMSNEG_C1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C10",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C10.mzML","RAW_FILE_NAME":"CEMSNEG_C10.mzML","RAW_FILE_NAME":"GCMS_C10.mzML","RAW_FILE_NAME":"LCMSPOS_C10.mzML","RAW_FILE_NAME":"LCMSNEG_C10.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C11",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C11.mzML","RAW_FILE_NAME":"CEMSNEG_C11.mzML","RAW_FILE_NAME":"GCMS_C11.mzML","RAW_FILE_NAME":"LCMSPOS_C11.mzML","RAW_FILE_NAME":"LCMSNEG_C11.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C12",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C12.mzML","RAW_FILE_NAME":"CEMSNEG_C12.mzML","RAW_FILE_NAME":"GCMS_C12.mzML","RAW_FILE_NAME":"LCMSPOS_C12.mzML","RAW_FILE_NAME":"LCMSNEG_C12.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C13",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C13.mzML","RAW_FILE_NAME":"CEMSNEG_C13.mzML","RAW_FILE_NAME":"GCMS_C13.mzML","RAW_FILE_NAME":"LCMSPOS_C13.mzML","RAW_FILE_NAME":"LCMSNEG_C13.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C14",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C14.mzML","RAW_FILE_NAME":"CEMSNEG_C14.mzML","RAW_FILE_NAME":"GCMS_C14.mzML","RAW_FILE_NAME":"LCMSPOS_C14.mzML","RAW_FILE_NAME":"LCMSNEG_C14.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C15",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C15.mzML","RAW_FILE_NAME":"CEMSNEG_C15.mzML","RAW_FILE_NAME":"GCMS_C15.mzML","RAW_FILE_NAME":"LCMSPOS_C15.mzML","RAW_FILE_NAME":"LCMSNEG_C15.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C16",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C16.mzML","RAW_FILE_NAME":"CEMSNEG_C16.mzML","RAW_FILE_NAME":"GCMS_C16.mzML","RAW_FILE_NAME":"LCMSPOS_C16.mzML","RAW_FILE_NAME":"LCMSNEG_C16.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C17",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C17.mzML","RAW_FILE_NAME":"CEMSNEG_C17.mzML","RAW_FILE_NAME":"GCMS_C17.mzML","RAW_FILE_NAME":"LCMSPOS_C17.mzML","RAW_FILE_NAME":"LCMSNEG_C17.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C18",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C18.mzML","RAW_FILE_NAME":"CEMSNEG_C18.mzML","RAW_FILE_NAME":"GCMS_C18.mzML","RAW_FILE_NAME":"LCMSPOS_C18.mzML","RAW_FILE_NAME":"LCMSNEG_C18.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C19",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C19.mzML","RAW_FILE_NAME":"CEMSNEG_C19.mzML","RAW_FILE_NAME":"GCMS_C19.mzML","RAW_FILE_NAME":"LCMSPOS_C19.mzML","RAW_FILE_NAME":"LCMSNEG_C19.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C2",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C2.mzML","RAW_FILE_NAME":"CEMSNEG_C2.mzML","RAW_FILE_NAME":"GCMS_C2.mzML","RAW_FILE_NAME":"LCMSPOS_C2.mzML","RAW_FILE_NAME":"LCMSNEG_C2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C20",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C20.mzML","RAW_FILE_NAME":"CEMSNEG_C20.mzML","RAW_FILE_NAME":"GCMS_C20.mzML","RAW_FILE_NAME":"LCMSPOS_C20.mzML","RAW_FILE_NAME":"LCMSNEG_C20.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C21",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C21.mzML","RAW_FILE_NAME":"CEMSNEG_C21.mzML","RAW_FILE_NAME":"GCMS_C21.mzML","RAW_FILE_NAME":"LCMSPOS_C21.mzML","RAW_FILE_NAME":"LCMSNEG_C21.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C22",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C22.mzML","RAW_FILE_NAME":"CEMSNEG_C22.mzML","RAW_FILE_NAME":"GCMS_C22.mzML","RAW_FILE_NAME":"LCMSPOS_C22.mzML","RAW_FILE_NAME":"LCMSNEG_C22.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C23",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C23.mzML","RAW_FILE_NAME":"CEMSNEG_C23.mzML","RAW_FILE_NAME":"GCMS_C23.mzML","RAW_FILE_NAME":"LCMSPOS_C23.mzML","RAW_FILE_NAME":"LCMSNEG_C23.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C24",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C24.mzML","RAW_FILE_NAME":"CEMSNEG_C24.mzML","RAW_FILE_NAME":"GCMS_C24.mzML","RAW_FILE_NAME":"LCMSPOS_C24.mzML","RAW_FILE_NAME":"LCMSNEG_C24.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C25",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C25.mzML","RAW_FILE_NAME":"CEMSNEG_C25.mzML","RAW_FILE_NAME":"GCMS_C25.mzML","RAW_FILE_NAME":"LCMSPOS_C25.mzML","RAW_FILE_NAME":"LCMSNEG_C25.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C26",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C26.mzML","RAW_FILE_NAME":"CEMSNEG_C26.mzML","RAW_FILE_NAME":"GCMS_C26.mzML","RAW_FILE_NAME":"LCMSPOS_C26.mzML","RAW_FILE_NAME":"LCMSNEG_C26.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C27",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C27.mzML","RAW_FILE_NAME":"CEMSNEG_C27.mzML","RAW_FILE_NAME":"GCMS_C27.mzML","RAW_FILE_NAME":"LCMSPOS_C27.mzML","RAW_FILE_NAME":"LCMSNEG_C27.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C29",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C29.mzML","RAW_FILE_NAME":"CEMSNEG_C29.mzML","RAW_FILE_NAME":"GCMS_C29.mzML","RAW_FILE_NAME":"LCMSPOS_C29.mzML","RAW_FILE_NAME":"LCMSNEG_C29.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C31",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C31.mzML","RAW_FILE_NAME":"CEMSNEG_C31.mzML","RAW_FILE_NAME":"GCMS_C31.mzML","RAW_FILE_NAME":"LCMSPOS_C31.mzML","RAW_FILE_NAME":"LCMSNEG_C31.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C32",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C32.mzML","RAW_FILE_NAME":"CEMSNEG_C32.mzML","RAW_FILE_NAME":"GCMS_C32.mzML","RAW_FILE_NAME":"LCMSPOS_C32.mzML","RAW_FILE_NAME":"LCMSNEG_C32.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C33",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C33.mzML","RAW_FILE_NAME":"CEMSNEG_C33.mzML","RAW_FILE_NAME":"GCMS_C33.mzML","RAW_FILE_NAME":"LCMSPOS_C33.mzML","RAW_FILE_NAME":"LCMSNEG_C33.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C34",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C34.mzML","RAW_FILE_NAME":"CEMSNEG_C34.mzML","RAW_FILE_NAME":"-","RAW_FILE_NAME":"LCMSPOS_C34.mzML","RAW_FILE_NAME":"LCMSNEG_C34.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C35",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C35.mzML","RAW_FILE_NAME":"CEMSNEG_C35.mzML","RAW_FILE_NAME":"GCMS_C35.mzML","RAW_FILE_NAME":"LCMSPOS_C35.mzML","RAW_FILE_NAME":"LCMSNEG_C35.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C37",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C37.mzML","RAW_FILE_NAME":"CEMSNEG_C37.mzML","RAW_FILE_NAME":"GCMS_C37.mzML","RAW_FILE_NAME":"LCMSPOS_C37.mzML","RAW_FILE_NAME":"LCMSNEG_C37.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C4",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C4.mzML","RAW_FILE_NAME":"CEMSNEG_C4.mzML","RAW_FILE_NAME":"GCMS_C4.mzML","RAW_FILE_NAME":"LCMSPOS_C4.mzML","RAW_FILE_NAME":"LCMSNEG_C4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C41",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C41.mzML","RAW_FILE_NAME":"CEMSNEG_C41.mzML","RAW_FILE_NAME":"GCMS_C41.mzML","RAW_FILE_NAME":"LCMSPOS_C41.mzML","RAW_FILE_NAME":"LCMSNEG_C41.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C42",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C42.mzML","RAW_FILE_NAME":"CEMSNEG_C42.mzML","RAW_FILE_NAME":"GCMS_C42.mzML","RAW_FILE_NAME":"LCMSPOS_C42.mzML","RAW_FILE_NAME":"LCMSNEG_C42.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C43",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C43.mzML","RAW_FILE_NAME":"CEMSNEG_C43.mzML","RAW_FILE_NAME":"GCMS_C43.mzML","RAW_FILE_NAME":"LCMSPOS_C43.mzML","RAW_FILE_NAME":"LCMSNEG_C43.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C49",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C49.mzML","RAW_FILE_NAME":"CEMSNEG_C49.mzML","RAW_FILE_NAME":"GCMS_C49.mzML","RAW_FILE_NAME":"LCMSPOS_C49.mzML","RAW_FILE_NAME":"LCMSNEG_C49.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C52",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C52.mzML","RAW_FILE_NAME":"CEMSNEG_C52.mzML","RAW_FILE_NAME":"GCMS_C52.mzML","RAW_FILE_NAME":"LCMSPOS_C52.mzML","RAW_FILE_NAME":"LCMSNEG_C52.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C55",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C55.mzML","RAW_FILE_NAME":"CEMSNEG_C55.mzML","RAW_FILE_NAME":"GCMS_C55.mzML","RAW_FILE_NAME":"LCMSPOS_C55.mzML","RAW_FILE_NAME":"LCMSNEG_C55.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C59",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C59.mzML","RAW_FILE_NAME":"CEMSNEG_C59.mzML","RAW_FILE_NAME":"GCMS_C59.mzML","RAW_FILE_NAME":"LCMSPOS_C59.mzML","RAW_FILE_NAME":"LCMSNEG_C59.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C61",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C61.mzML","RAW_FILE_NAME":"CEMSNEG_C61.mzML","RAW_FILE_NAME":"GCMS_C61.mzML","RAW_FILE_NAME":"LCMSPOS_C61.mzML","RAW_FILE_NAME":"LCMSNEG_C61.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C68",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C68.mzML","RAW_FILE_NAME":"CEMSNEG_C68.mzML","RAW_FILE_NAME":"GCMS_C68.mzML","RAW_FILE_NAME":"LCMSPOS_C68.mzML","RAW_FILE_NAME":"LCMSNEG_C68.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C7",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C7.mzML","RAW_FILE_NAME":"CEMSNEG_C7.mzML","RAW_FILE_NAME":"GCMS_C7.mzML","RAW_FILE_NAME":"LCMSPOS_C7.mzML","RAW_FILE_NAME":"LCMSNEG_C7.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C8",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C8.mzML","RAW_FILE_NAME":"CEMSNEG_C8.mzML","RAW_FILE_NAME":"GCMS_C8.mzML","RAW_FILE_NAME":"LCMSPOS_C8.mzML","RAW_FILE_NAME":"LCMSNEG_C8.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"C9",
"Factors":{"Sample source":"Plasma","Factor":"Recovered from acute COVID-19"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_C9.mzML","RAW_FILE_NAME":"CEMSNEG_C9.mzML","RAW_FILE_NAME":"GCMS_C9.mzML","RAW_FILE_NAME":"LCMSPOS_C9.mzML","RAW_FILE_NAME":"LCMSNEG_C9.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L100",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L100.mzML","RAW_FILE_NAME":"CEMSNEG_L100.mzML","RAW_FILE_NAME":"GCMS_L100.mzML","RAW_FILE_NAME":"LCMSPOS_L100.mzML","RAW_FILE_NAME":"LCMSNEG_L100.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L101",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L101.mzML","RAW_FILE_NAME":"CEMSNEG_L101.mzML","RAW_FILE_NAME":"GCMS_L101.mzML","RAW_FILE_NAME":"LCMSPOS_L101.mzML","RAW_FILE_NAME":"LCMSNEG_L101.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L102",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L102.mzML","RAW_FILE_NAME":"CEMSNEG_L102.mzML","RAW_FILE_NAME":"GCMS_L102.mzML","RAW_FILE_NAME":"LCMSPOS_L102.mzML","RAW_FILE_NAME":"LCMSNEG_L102.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L103",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L103.mzML","RAW_FILE_NAME":"CEMSNEG_L103.mzML","RAW_FILE_NAME":"GCMS_L103.mzML","RAW_FILE_NAME":"LCMSPOS_L103.mzML","RAW_FILE_NAME":"LCMSNEG_L103.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L42",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L42.mzML","RAW_FILE_NAME":"CEMSNEG_L42.mzML","RAW_FILE_NAME":"GCMS_L42.mzML","RAW_FILE_NAME":"LCMSPOS_L42.mzML","RAW_FILE_NAME":"LCMSNEG_L42.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L43",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L43.mzML","RAW_FILE_NAME":"CEMSNEG_L43.mzML","RAW_FILE_NAME":"GCMS_L43.mzML","RAW_FILE_NAME":"LCMSPOS_L43.mzML","RAW_FILE_NAME":"LCMSNEG_L43.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L44",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L44.mzML","RAW_FILE_NAME":"CEMSNEG_L44.mzML","RAW_FILE_NAME":"GCMS_L44.mzML","RAW_FILE_NAME":"LCMSPOS_L44.mzML","RAW_FILE_NAME":"LCMSNEG_L44.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L45",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L45.mzML","RAW_FILE_NAME":"CEMSNEG_L45.mzML","RAW_FILE_NAME":"GCMS_L45.mzML","RAW_FILE_NAME":"LCMSPOS_L45.mzML","RAW_FILE_NAME":"LCMSNEG_L45.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L46",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L46.mzML","RAW_FILE_NAME":"CEMSNEG_L46.mzML","RAW_FILE_NAME":"GCMS_L46.mzML","RAW_FILE_NAME":"LCMSPOS_L46.mzML","RAW_FILE_NAME":"LCMSNEG_L46.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L47",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L47.mzML","RAW_FILE_NAME":"CEMSNEG_L47.mzML","RAW_FILE_NAME":"GCMS_L47.mzML","RAW_FILE_NAME":"LCMSPOS_L47.mzML","RAW_FILE_NAME":"LCMSNEG_L47.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L48",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L48.mzML","RAW_FILE_NAME":"CEMSNEG_L48.mzML","RAW_FILE_NAME":"GCMS_L48.mzML","RAW_FILE_NAME":"LCMSPOS_L48.mzML","RAW_FILE_NAME":"LCMSNEG_L48.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L49",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L49.mzML","RAW_FILE_NAME":"CEMSNEG_L49.mzML","RAW_FILE_NAME":"GCMS_L49.mzML","RAW_FILE_NAME":"LCMSPOS_L49.mzML","RAW_FILE_NAME":"LCMSNEG_L49.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L50",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L50.mzML","RAW_FILE_NAME":"CEMSNEG_L50.mzML","RAW_FILE_NAME":"GCMS_L50.mzML","RAW_FILE_NAME":"LCMSPOS_L50.mzML","RAW_FILE_NAME":"LCMSNEG_L50.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L51",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L51.mzML","RAW_FILE_NAME":"CEMSNEG_L51.mzML","RAW_FILE_NAME":"GCMS_L51.mzML","RAW_FILE_NAME":"LCMSPOS_L51.mzML","RAW_FILE_NAME":"LCMSNEG_L51.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L52",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L52.mzML","RAW_FILE_NAME":"CEMSNEG_L52.mzML","RAW_FILE_NAME":"GCMS_L52.mzML","RAW_FILE_NAME":"LCMSPOS_L52.mzML","RAW_FILE_NAME":"LCMSNEG_L52.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L54",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L54.mzML","RAW_FILE_NAME":"CEMSNEG_L54.mzML","RAW_FILE_NAME":"GCMS_L54.mzML","RAW_FILE_NAME":"LCMSPOS_L54.mzML","RAW_FILE_NAME":"LCMSNEG_L54.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L55",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L55.mzML","RAW_FILE_NAME":"CEMSNEG_L55.mzML","RAW_FILE_NAME":"GCMS_L55.mzML","RAW_FILE_NAME":"LCMSPOS_L55.mzML","RAW_FILE_NAME":"LCMSNEG_L55.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L56",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L56.mzML","RAW_FILE_NAME":"CEMSNEG_L56.mzML","RAW_FILE_NAME":"GCMS_L56.mzML","RAW_FILE_NAME":"LCMSPOS_L56.mzML","RAW_FILE_NAME":"LCMSNEG_L56.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L57",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L57.mzML","RAW_FILE_NAME":"CEMSNEG_L57.mzML","RAW_FILE_NAME":"GCMS_L57.mzML","RAW_FILE_NAME":"LCMSPOS_L57.mzML","RAW_FILE_NAME":"LCMSNEG_L57.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L58",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L58.mzML","RAW_FILE_NAME":"CEMSNEG_L58.mzML","RAW_FILE_NAME":"GCMS_L58.mzML","RAW_FILE_NAME":"LCMSPOS_L58.mzML","RAW_FILE_NAME":"LCMSNEG_L58.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L59",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L59.mzML","RAW_FILE_NAME":"CEMSNEG_L59.mzML","RAW_FILE_NAME":"GCMS_L59.mzML","RAW_FILE_NAME":"LCMSPOS_L59.mzML","RAW_FILE_NAME":"LCMSNEG_L59.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L60",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L60.mzML","RAW_FILE_NAME":"CEMSNEG_L60.mzML","RAW_FILE_NAME":"GCMS_L60.mzML","RAW_FILE_NAME":"LCMSPOS_L60.mzML","RAW_FILE_NAME":"LCMSNEG_L60.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L61",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L61.mzML","RAW_FILE_NAME":"CEMSNEG_L61.mzML","RAW_FILE_NAME":"GCMS_L61.mzML","RAW_FILE_NAME":"LCMSPOS_L61.mzML","RAW_FILE_NAME":"LCMSNEG_L61.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L62",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L62.mzML","RAW_FILE_NAME":"CEMSNEG_L62.mzML","RAW_FILE_NAME":"GCMS_L62.mzML","RAW_FILE_NAME":"LCMSPOS_L62.mzML","RAW_FILE_NAME":"LCMSNEG_L62.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L63",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L63.mzML","RAW_FILE_NAME":"CEMSNEG_L63.mzML","RAW_FILE_NAME":"GCMS_L63.mzML","RAW_FILE_NAME":"LCMSPOS_L63.mzML","RAW_FILE_NAME":"LCMSNEG_L63.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L64",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L64.mzML","RAW_FILE_NAME":"CEMSNEG_L64.mzML","RAW_FILE_NAME":"GCMS_L64.mzML","RAW_FILE_NAME":"LCMSPOS_L64.mzML","RAW_FILE_NAME":"LCMSNEG_L64.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L65",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L65.mzML","RAW_FILE_NAME":"CEMSNEG_L65.mzML","RAW_FILE_NAME":"GCMS_L65.mzML","RAW_FILE_NAME":"LCMSPOS_L65.mzML","RAW_FILE_NAME":"LCMSNEG_L65.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L66",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L66.mzML","RAW_FILE_NAME":"CEMSNEG_L66.mzML","RAW_FILE_NAME":"GCMS_L66.mzML","RAW_FILE_NAME":"LCMSPOS_L66.mzML","RAW_FILE_NAME":"LCMSNEG_L66.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L67",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L67.mzML","RAW_FILE_NAME":"CEMSNEG_L67.mzML","RAW_FILE_NAME":"GCMS_L67.mzML","RAW_FILE_NAME":"LCMSPOS_L67.mzML","RAW_FILE_NAME":"LCMSNEG_L67.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L68",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L68.mzML","RAW_FILE_NAME":"CEMSNEG_L68.mzML","RAW_FILE_NAME":"GCMS_L68.mzML","RAW_FILE_NAME":"LCMSPOS_L68.mzML","RAW_FILE_NAME":"LCMSNEG_L68.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L69",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L69.mzML","RAW_FILE_NAME":"CEMSNEG_L69.mzML","RAW_FILE_NAME":"GCMS_L69.mzML","RAW_FILE_NAME":"LCMSPOS_L69.mzML","RAW_FILE_NAME":"LCMSNEG_L69.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L70",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L70.mzML","RAW_FILE_NAME":"CEMSNEG_L70.mzML","RAW_FILE_NAME":"GCMS_L70.mzML","RAW_FILE_NAME":"LCMSPOS_L70.mzML","RAW_FILE_NAME":"LCMSNEG_L70.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L72",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L72.mzML","RAW_FILE_NAME":"CEMSNEG_L72.mzML","RAW_FILE_NAME":"GCMS_L72.mzML","RAW_FILE_NAME":"LCMSPOS_L72.mzML","RAW_FILE_NAME":"LCMSNEG_L72.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L73",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L73.mzML","RAW_FILE_NAME":"CEMSNEG_L73.mzML","RAW_FILE_NAME":"GCMS_L73.mzML","RAW_FILE_NAME":"LCMSPOS_L73.mzML","RAW_FILE_NAME":"LCMSNEG_L73.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L74",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L74.mzML","RAW_FILE_NAME":"CEMSNEG_L74.mzML","RAW_FILE_NAME":"GCMS_L74.mzML","RAW_FILE_NAME":"LCMSPOS_L74.mzML","RAW_FILE_NAME":"LCMSNEG_L74.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L75",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L75.mzML","RAW_FILE_NAME":"CEMSNEG_L75.mzML","RAW_FILE_NAME":"GCMS_L75.mzML","RAW_FILE_NAME":"LCMSPOS_L75.mzML","RAW_FILE_NAME":"LCMSNEG_L75.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L76",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L76.mzML","RAW_FILE_NAME":"CEMSNEG_L76.mzML","RAW_FILE_NAME":"GCMS_L76.mzML","RAW_FILE_NAME":"LCMSPOS_L76.mzML","RAW_FILE_NAME":"LCMSNEG_L76.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L77",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L77.mzML","RAW_FILE_NAME":"CEMSNEG_L77.mzML","RAW_FILE_NAME":"GCMS_L77.mzML","RAW_FILE_NAME":"LCMSPOS_L77.mzML","RAW_FILE_NAME":"LCMSNEG_L77.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L78",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L78.mzML","RAW_FILE_NAME":"CEMSNEG_L78.mzML","RAW_FILE_NAME":"GCMS_L78.mzML","RAW_FILE_NAME":"LCMSPOS_L78.mzML","RAW_FILE_NAME":"LCMSNEG_L78.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"L79",
"Factors":{"Sample source":"Plasma","Factor":"Long COVID"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_L79.mzML","RAW_FILE_NAME":"CEMSNEG_L79.mzML","RAW_FILE_NAME":"GCMS_L79.mzML","RAW_FILE_NAME":"LCMSPOS_L79.mzML","RAW_FILE_NAME":"LCMSNEG_L79.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC1",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC1.mzML","RAW_FILE_NAME":"CEMSNEG_QC1.mzML","RAW_FILE_NAME":"GCMS_QC1.mzML","RAW_FILE_NAME":"LCMSPOS_QC1.mzML","RAW_FILE_NAME":"LCMSNEG_QC1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC10",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC10.mzML","RAW_FILE_NAME":"CEMSNEG_QC10.mzML","RAW_FILE_NAME":"GCMS_QC10.mzML","RAW_FILE_NAME":"LCMSPOS_QC10.mzML","RAW_FILE_NAME":"LCMSNEG_QC10.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC11",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC11.mzML","RAW_FILE_NAME":"CEMSNEG_QC11.mzML","RAW_FILE_NAME":"GCMS_QC11.mzML","RAW_FILE_NAME":"LCMSPOS_QC11.mzML","RAW_FILE_NAME":"LCMSNEG_QC11.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC12",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC12.mzML","RAW_FILE_NAME":"CEMSNEG_QC12.mzML","RAW_FILE_NAME":"GCMS_QC12.mzML","RAW_FILE_NAME":"LCMSPOS_QC12.mzML","RAW_FILE_NAME":"LCMSNEG_QC12.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC2",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC2.mzML","RAW_FILE_NAME":"CEMSNEG_QC2.mzML","RAW_FILE_NAME":"GCMS_QC2.mzML","RAW_FILE_NAME":"LCMSPOS_QC2.mzML","RAW_FILE_NAME":"LCMSNEG_QC2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC3",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC3.mzML","RAW_FILE_NAME":"CEMSNEG_QC3.mzML","RAW_FILE_NAME":"GCMS_QC3.mzML","RAW_FILE_NAME":"LCMSPOS_QC3.mzML","RAW_FILE_NAME":"LCMSNEG_QC3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC4",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC4.mzML","RAW_FILE_NAME":"CEMSNEG_QC4.mzML","RAW_FILE_NAME":"GCMS_QC4.mzML","RAW_FILE_NAME":"LCMSPOS_QC4.mzML","RAW_FILE_NAME":"LCMSNEG_QC4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC5",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC5.mzML","RAW_FILE_NAME":"CEMSNEG_QC5.mzML","RAW_FILE_NAME":"GCMS_QC5.mzML","RAW_FILE_NAME":"LCMSPOS_QC5.mzML","RAW_FILE_NAME":"LCMSNEG_QC5.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC6",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC6.mzML","RAW_FILE_NAME":"CEMSNEG_QC6.mzML","RAW_FILE_NAME":"GCMS_QC6.mzML","RAW_FILE_NAME":"LCMSPOS_QC6.mzML","RAW_FILE_NAME":"LCMSNEG_QC6.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC7",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC7.mzML","RAW_FILE_NAME":"CEMSNEG_QC7.mzML","RAW_FILE_NAME":"GCMS_QC7.mzML","RAW_FILE_NAME":"LCMSPOS_QC7.mzML","RAW_FILE_NAME":"LCMSNEG_QC7.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC8",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC8.mzML","RAW_FILE_NAME":"CEMSNEG_QC8.mzML","RAW_FILE_NAME":"GCMS_QC8.mzML","RAW_FILE_NAME":"LCMSPOS_QC8.mzML","RAW_FILE_NAME":"LCMSNEG_QC8.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC9",
"Factors":{"Sample source":"Plasma","Factor":"Quality control"},
"Additional sample data":{"RAW_FILE_NAME":"CEMSPOS_QC9.mzML","RAW_FILE_NAME":"CEMSNEG_QC9.mzML","RAW_FILE_NAME":"GCMS_QC9.mzML","RAW_FILE_NAME":"LCMSPOS_QC9.mzML","RAW_FILE_NAME":"LCMSNEG_QC9.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Samples were collected after fasting conditions. 1,500 μL of cold MeOH/EtOH (1:1, v/v) were added to 500 μL of plasma for virus inactivation. Afterward, samples were vigorously mixed using vortex for 1 min, followed by incubation on ice for 5 min, and subsequent centrifugation at 16,000 x g for 20 min at 4 °C to eliminate proteins by precipitation. The resulting extract, containing the metabolites of interest, was transferred to EppendorfTM tubes, and stored at –80 °C until analysis.","SAMPLE_TYPE":"Blood (plasma)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"N/A"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"For CE-MS analysis 200 µL of frozen plasma extract (MeOH/EtOH 1:1, v/v) were thawed on ice and dried completely using a SpeedVac Concentrator System. The resulting residue was then reconstituted in 100 µL of 0.2 mM MetS dissolved in 0.1 M FA. After vortex-mixing for 1 min, the samples were transferred to a Millipore filter with a 30 kDa protein cutoff and centrifuged at 2,000 x g for 40 min at 4 °C. Finally, the resulting ultrafiltrate was transferred to a CE-MS vial for further analysis. Prior to the analysis vials were centrifuged at 2,000 x g for 10 min at 4 °C to ensure that any possible sediment remained at the bottom of the vial. For GC-MS analysis 200 µL of each plasma extract was thawed on ice to room temperature and 30 µL of the internal standard (IS), palmitic acid-d31 in MeOH (80 mg/mL) was added to it. The mixture was vortexed for 5 min and 200 µL of the solution were transferred to a GC-MS vial. Then, samples were evaporated to dryness using a SpeedVac Concentrator System and maintained at 8 °C in the Gerstel Multiple Purpose Sample (MPS) Preparation Station. An automated two step derivatization process was performed before sample injection using a protocol adjusted from a previous reported method. First, each precipitate was redissolved in 20 µL of O-methoxyamine solution (15 mg/mL in pyridine) for the methoximation process, mixed 10 min at 1,000 rpm and incubated for 90 min at 60 °C at 750 rpm. Second, and after waiting 5 min, 40 µL of BSTFA with 1% TMCS were added for the silylation process. Then, samples were mixed for 10 min at 1,000 rpm and incubated for 60 min at 60 °C at 750 rpm. After waiting 30 min at 8 °C, 80 µL of heptane containing 20 mg/mL of tricosane (IS) were added and mixed for 5 min at 1,000 rpm. Finally, samples were maintained at 8 °C for 30 min before injection. For LC-MS 200 µL of each plasma extract was thawed on ice to room temperature and centrifuged for 10 min at 16,100 x g at 4 °C, transferred to a LC-MS vial and directly injected into the system."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"CE-ESI(+)-TOF-MS","CHROMATOGRAPHY_TYPE":"CE","INSTRUMENT_NAME":"Agilent 7100 CE","COLUMN_NAME":"Agilent Technologies fused silica capillary (total length, 100 cm; internal diameter, 50 µm)","SOLVENT_A":"BGE (1 M FA in 10% MeOH)","SOLVENT_B":"N/A","FLOW_GRADIENT":"N/A","FLOW_RATE":"N/A","COLUMN_TEMPERATURE":"20°C","ANALYTICAL_TIME":"26 min","CAPILLARY_VOLTAGE":"30kV","SHEATH_LIQUID":"MeOH: H2O (1:1, v/v) with 1mM FA containing two reference masses (purine: 121.0509 and HP-0922: 922.0098) at a flow rate of 0.6 mL/min (1:100 of split ratio)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6230 TOF","INSTRUMENT_TYPE":"TOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"The mass spectra data were acquired in positive polarity mode with a full scan range of m/z 70 - 1000 at a rate of 1.36 spectra/s. The following MS parameters were employed: fragmentor set to 125 V, skimmer to 65 V, OCT RF Vpp to 750 V, drying gas temperature to 200 °C ESI(+), flow rate to 10 L/min, nebulizer to 10 psi, and capillary voltage to 3500 V ESI(+). The Agilent MassHunter Workstation v B.09.00 (Agilent Technologies, Waldbronn, Germany) was used for CE-MS data acquisition."},

"MS_METABOLITE_DATA":{
"Units":"Corrected areas",

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