{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003103","ANALYSIS_ID":"AN005077","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":"RP-UHPLC-ESI(+)-QTOF-MS","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1290 Infinity II","COLUMN_NAME":"Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um)","SOLVENT_A":"10 mM CH3COONH4 and 0.2 mM NH4F in H2O/MeOH (9:1, v/v)","SOLVENT_B":"10 mM CH3COONH4 and 0.2 mM NH4F in ACN/MeOH/IPA (2:3:5, v/v/v)","FLOW_GRADIENT":"The chromatographic gradient started at 70 % of B at 0 - 1 min, 86 % B at 3.5 - 10 min, 100% B at 11 - 17 min. The starting conditions were recovered by min 17, followed by a 2 min re-equilibration time, reaching a total running time of 19 min","FLOW_RATE":"0.6 mL/min","COLUMN_TEMPERATURE":"50°C","ANALYTICAL_TIME":"19 min"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6545 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"The mass spectrometer operated in full scan mode, scanning from m/z 40 - 1700 at a scan rate of 3 spectra/s. During the analysis, a solution containing two reference mass compounds was continuously infused to the system at a flow rate of 1 mL/min to provide mass correction. The reference masses used were m/z 121.0509 (purine detected as [C5H4N4 + H]+) and m/z 922.0098 (HP-0921 detected as [C18H18O6N3P3F24 + H]+) for ESI(+) and m/z 119.0363 (purine detected as [C5H4N4 - H]-) and m/z 1033.9881 (HP-0921 detected as [C18H18O6N3P3F24 + CF3COOH-H]-) for ESI(–). At the end of the analysis, ten iterative-MS/MS runs were performed for both, positive and negative ionization modes using a QC sample. They were operated with a MS and MS/MS scan rates of 3 spectra/s, 3 precursors per cycle, a mass range of m/z 40 - 1700, a narrow (~ 1.3 amu) MS/MS isolation width, and 5000 counts and 0.001 % of MS/MS threshold. The collision energy for the first five iterative-MS/MS runs was set at 20 eV, and the subsequent five runs were performed at 40 eV. To ensure accuracy, reference masses and contaminants detected in blank samples were excluded from the analysis. This prevented thein inclusion in the iterative-MS/MS runs. Data was acquired using MassHunter Workstation Software LC-MS Data Acquisition v B.09.00 (Agilent Technologies, Waldbronn, Germany)."},

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

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