#METABOLOMICS WORKBENCH sara_martinezlopez_20240215_054606 DATATRACK_ID:4640 STUDY_ID:ST003103 ANALYSIS_ID:AN005081 PROJECT_ID:PR001926 VERSION 1 CREATED_ON February 19, 2024, 2:55 am #PROJECT PR:PROJECT_TITLE Reinforcing the Evidence of Mitochondrial Dysfunction in Long COVID Patients PR:PROJECT_TITLE using a Multiplatform Mass Spectrometry-based Metabolomics Approach PR:PROJECT_SUMMARY Despite the recent and increasing knowledge surrounding COVID-19 infection, the PR:PROJECT_SUMMARY underlying mechanisms of the persistence of symptoms long time after the acute PR:PROJECT_SUMMARY infection are still not completely understood. Here, a multiplatform mass PR:PROJECT_SUMMARY spectrometry-based approach was used for metabolomic and lipidomic profiling of PR:PROJECT_SUMMARY human plasma samples from Long COVID patients (n=40) to reveal mitochondrial PR:PROJECT_SUMMARY dysfunction when compared with individuals fully recovered from acute mild PR:PROJECT_SUMMARY COVID-19 (n=40). Untargeted metabolomic analysis using CE-ESI(+/–)-TOF-MS and PR:PROJECT_SUMMARY GC-Q-MS was performed. Additionally, a lipidomic analysis using PR:PROJECT_SUMMARY LC-ESI(+/–)-QTOF-MS based on an in-house library revealed 471 lipid species PR:PROJECT_SUMMARY identified with high confidence annotation level. The integration of PR:PROJECT_SUMMARY complementary analytical platforms has allowed a comprehensive metabolic and PR:PROJECT_SUMMARY lipidomic characterization of plasma alterations in Long COVID disease that PR:PROJECT_SUMMARY found 46 relevant metabolites which allowed to discriminate between Long COVID PR:PROJECT_SUMMARY and fully recovered patients. We report specific metabolites altered in Long PR:PROJECT_SUMMARY COVID, mainly related to a decrease in the amino acid metabolism and ceramide PR:PROJECT_SUMMARY plasma levels, and an increase in the tricarboxylic acid (TCA) cycle, PR:PROJECT_SUMMARY reinforcing the evidence of an impaired mitochondrial function. The most PR:PROJECT_SUMMARY relevant alterations shown in this study will help to better understand the PR:PROJECT_SUMMARY insights of Long COVID syndrome by providing a deeper knowledge of the PR:PROJECT_SUMMARY metabolomic basis of the pathology. PR:INSTITUTE Univerisity CEU San Pablo PR:DEPARTMENT Chemistry and Biochemistry PR:LABORATORY CEMBIO PR:LAST_NAME Martinez PR:FIRST_NAME Sara PR:ADDRESS Urbanización Montepríncipe, Boadilla del Monte, Madrid, 28660, Spain PR:EMAIL sara.martinezlopez@ceu.es PR:PHONE (+34)913724769 #STUDY ST:STUDY_TITLE Reinforcing the Evidence of Mitochondrial Dysfunction in Long COVID Patients ST:STUDY_TITLE using a Multiplatform Mass Spectrometry-based Metabolomics Approach ST:STUDY_SUMMARY Despite the recent and increasing knowledge surrounding COVID-19 infection, the ST:STUDY_SUMMARY underlying mechanisms of the persistence of symptoms long time after the acute ST:STUDY_SUMMARY infection are still not completely understood. Here, a multiplatform mass ST:STUDY_SUMMARY spectrometry-based approach was used for metabolomic and lipidomic profiling of ST:STUDY_SUMMARY human plasma samples from Long COVID patients (n=40) to reveal mitochondrial ST:STUDY_SUMMARY dysfunction when compared with individuals fully recovered from acute mild ST:STUDY_SUMMARY COVID-19 (n=40). Untargeted metabolomic analysis using CE-ESI(+/–)-TOF-MS and ST:STUDY_SUMMARY GC-Q-MS was performed. Additionally, a lipidomic analysis using ST:STUDY_SUMMARY LC-ESI(+/–)-QTOF-MS based on an in-house library revealed 471 lipid species ST:STUDY_SUMMARY identified with high confidence annotation level. The integration of ST:STUDY_SUMMARY complementary analytical platforms has allowed a comprehensive metabolic and ST:STUDY_SUMMARY lipidomic characterization of plasma alterations in Long COVID disease that ST:STUDY_SUMMARY found 46 relevant metabolites which allowed to discriminate between Long COVID ST:STUDY_SUMMARY and fully recovered patients. We report specific metabolites altered in Long ST:STUDY_SUMMARY COVID, mainly related to a decrease in the amino acid metabolism and ceramide ST:STUDY_SUMMARY plasma levels, and an increase in the tricarboxylic acid (TCA) cycle, ST:STUDY_SUMMARY reinforcing the evidence of an impaired mitochondrial function. The most ST:STUDY_SUMMARY relevant alterations shown in this study will help to better understand the ST:STUDY_SUMMARY insights of Long COVID syndrome by providing a deeper knowledge of the ST:STUDY_SUMMARY metabolomic basis of the pathology. ST:INSTITUTE Universidad CEU San Pablo ST:DEPARTMENT Chemistry and Biochemistry ST:LABORATORY CEMBIO ST:LAST_NAME Martinez ST:FIRST_NAME Sara ST:ADDRESS Urbanización Montepríncipe, 28660, Boadilla del Monte, Madrid, Spain ST:EMAIL sara.martinezlopez@ceu.es ST:PHONE (+34)913724769 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 80 ST:NUM_MALES 14 ST:NUM_FEMALES 66 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - C1 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C10 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C11 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C12 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C13 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C14 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C15 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C16 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C17 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C18 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C19 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C2 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C20 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C21 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C22 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C23 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C24 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C25 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C26 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C27 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C29 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C31 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C32 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C33 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C34 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C35 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C37 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C4 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C41 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C42 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C43 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C49 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C52 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C55 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C59 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C61 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C68 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C7 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C8 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - C9 Sample source:Plasma | Factor:Recovered from acute COVID-19 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_SAMPLE_FACTORS - L100 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L101 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L102 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L103 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L42 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L43 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L44 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L45 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L46 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L47 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L48 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L49 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L50 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L51 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L52 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L54 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L55 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L56 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L57 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L58 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L59 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L60 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L61 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L62 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L63 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L64 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L65 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L66 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L67 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L68 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L69 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L70 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L72 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L73 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L74 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L75 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L76 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L77 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L78 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - L79 Sample source:Plasma | Factor:Long COVID 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_SAMPLE_FACTORS - QC1 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC10 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC11 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC12 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC2 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC3 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC4 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC5 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC6 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC7 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC8 Sample source:Plasma | Factor:Quality control 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_SAMPLE_FACTORS - QC9 Sample source:Plasma | Factor:Quality control 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 CO:COLLECTION_SUMMARY Samples were collected after fasting conditions. 1,500 μL of cold MeOH/EtOH CO:COLLECTION_SUMMARY (1:1, v/v) were added to 500 μL of plasma for virus inactivation. Afterward, CO:COLLECTION_SUMMARY samples were vigorously mixed using vortex for 1 min, followed by incubation on CO:COLLECTION_SUMMARY ice for 5 min, and subsequent centrifugation at 16,000 x g for 20 min at 4 °C CO:COLLECTION_SUMMARY to eliminate proteins by precipitation. The resulting extract, containing the CO:COLLECTION_SUMMARY metabolites of interest, was transferred to EppendorfTM tubes, and stored at CO:COLLECTION_SUMMARY –80 °C until analysis. CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For CE-MS analysis 200 µL of frozen plasma extract (MeOH/EtOH 1:1, v/v) were SP:SAMPLEPREP_SUMMARY thawed on ice and dried completely using a SpeedVac Concentrator System. The SP:SAMPLEPREP_SUMMARY resulting residue was then reconstituted in 100 µL of 0.2 mM MetS dissolved in SP:SAMPLEPREP_SUMMARY 0.1 M FA. After vortex-mixing for 1 min, the samples were transferred to a SP:SAMPLEPREP_SUMMARY Millipore filter with a 30 kDa protein cutoff and centrifuged at 2,000 x g for SP:SAMPLEPREP_SUMMARY 40 min at 4 °C. Finally, the resulting ultrafiltrate was transferred to a CE-MS SP:SAMPLEPREP_SUMMARY vial for further analysis. Prior to the analysis vials were centrifuged at 2,000 SP:SAMPLEPREP_SUMMARY x g for 10 min at 4 °C to ensure that any possible sediment remained at the SP:SAMPLEPREP_SUMMARY bottom of the vial. For GC-MS analysis 200 µL of each plasma extract was thawed SP:SAMPLEPREP_SUMMARY on ice to room temperature and 30 µL of the internal standard (IS), palmitic SP:SAMPLEPREP_SUMMARY acid-d31 in MeOH (80 mg/mL) was added to it. The mixture was vortexed for 5 min SP:SAMPLEPREP_SUMMARY and 200 µL of the solution were transferred to a GC-MS vial. Then, samples were SP:SAMPLEPREP_SUMMARY evaporated to dryness using a SpeedVac Concentrator System and maintained at 8 SP:SAMPLEPREP_SUMMARY °C in the Gerstel Multiple Purpose Sample (MPS) Preparation Station. An SP:SAMPLEPREP_SUMMARY automated two step derivatization process was performed before sample injection SP:SAMPLEPREP_SUMMARY using a protocol adjusted from a previous reported method. First, each SP:SAMPLEPREP_SUMMARY precipitate was redissolved in 20 µL of O-methoxyamine solution (15 mg/mL in SP:SAMPLEPREP_SUMMARY pyridine) for the methoximation process, mixed 10 min at 1,000 rpm and incubated SP:SAMPLEPREP_SUMMARY for 90 min at 60 °C at 750 rpm. Second, and after waiting 5 min, 40 µL of SP:SAMPLEPREP_SUMMARY BSTFA with 1% TMCS were added for the silylation process. Then, samples were SP:SAMPLEPREP_SUMMARY mixed for 10 min at 1,000 rpm and incubated for 60 min at 60 °C at 750 rpm. SP:SAMPLEPREP_SUMMARY After waiting 30 min at 8 °C, 80 µL of heptane containing 20 mg/mL of SP:SAMPLEPREP_SUMMARY tricosane (IS) were added and mixed for 5 min at 1,000 rpm. Finally, samples SP:SAMPLEPREP_SUMMARY were maintained at 8 °C for 30 min before injection. For LC-MS 200 µL of each SP:SAMPLEPREP_SUMMARY plasma extract was thawed on ice to room temperature and centrifuged for 10 min SP:SAMPLEPREP_SUMMARY at 16,100 x g at 4 °C, transferred to a LC-MS vial and directly injected into SP:SAMPLEPREP_SUMMARY the system. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY CE-ESI(-)-TOF-MS CH:CHROMATOGRAPHY_TYPE CE CH:INSTRUMENT_NAME Agilent 7100 CE CH:COLUMN_NAME Agilent Technologies fused silica capillary (total length, 100 cm; internal CH:COLUMN_NAME diameter, 50 µm) CH:SOLVENT_A BGE (1 M FA in 10% MeOH) CH:SOLVENT_B N/A CH:FLOW_GRADIENT N/A CH:FLOW_RATE N/A CH:COLUMN_TEMPERATURE 20°C CH:ANALYTICAL_TIME 40 min CH:CAPILLARY_VOLTAGE -30kV CH:SHEATH_LIQUID MeOH: H2O (1:1, v/v) with 1mM FA containing two reference masses (purine: CH:SHEATH_LIQUID 121.0509 and HP-0922: 922.0098) at a flow rate of 1.0 mL/min (1:100 of split CH:SHEATH_LIQUID ratio) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6230 TOF MS:INSTRUMENT_TYPE TOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The mass spectra data were acquired in negative polarity mode with a full scan MS:MS_COMMENTS range m/z 60 - 1000 at a rate of 1 spectra/s. The following MS parameters were MS:MS_COMMENTS employed: fragmentor set to 125 V, skimmer to 65 V, OCT RF Vpp to 750 V, drying MS:MS_COMMENTS gas temperature to 275 °C ESI(–), flow rate to 10 L/min, nebulizer to 10 psi, MS:MS_COMMENTS and capillary voltage to 2000 V ESI(-). The Agilent MassHunter Workstation v MS:MS_COMMENTS B.09.00 (Agilent Technologies, Waldbronn, Germany) was used for CE-MS data MS:MS_COMMENTS acquisition. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Corrected areas MS_METABOLITE_DATA_START Samples C1 C10 C11 C12 C13 C14 C15 C16 C17 C18 C19 C2 C20 C21 C22 C23 C24 C25 C26 C27 C29 C31 C32 C33 C34 C35 C37 C4 C41 C42 C43 C49 C52 C55 C59 C61 C68 C7 C8 C9 L100 L101 L102 L103 L42 L43 L44 L45 L46 L47 L48 L49 L50 L51 L52 L54 L55 L56 L57 L58 L59 L60 L61 L62 L63 L64 L65 L66 L67 L68 L69 L70 L72 L73 L74 L75 L76 L77 L78 L79 QC1 QC10 QC11 QC12 QC2 QC3 QC4 QC5 QC6 QC7 QC8 QC9 Factors Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Recovered from acute COVID-19 Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Long COVID Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control Sample source:Plasma | Factor:Quality control 320.1569_25.69 0.000524216 0.001217006 0.000634352 0.00037764 0.001266122 0.000751314 0.001094654 0.001389142 0.001186697 0.001048253 0.000403153 0.000868963 0.000942566 0.000628822 0.000471394 0.00049471 0.000454405 0.000452502 0.000486798 0.001155666 0.00031931 0.000563959 0.000855852 0.001200489 0.000244402 0.000721438 0.000805597 0.000684838 0.000567196 0.000437293 0.000962108 0.000313212 0.000465541 0.000784779 0.000545515 0.00088994 0.000573265 0.000734543 0.000976963 0.001084063 0.000529562 0.001410867 0.000772993 0.001292489 0.000483734 0.000310099 0.000721497 0.000451101 0.000556646 0.000842396 0.000945029 0.000412918 0.000283168 0.000269481 0.000476686 0.000301974 0.000643878 0.000455891 0.000512692 0.000255854 0.000171947 0.000428832 0.000202982 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0.02901417 0.021626135 0.028103487 0.025379395 0.034267065 0.012326472 0.008765533 0.046776834 0.031966733 0.015359507 0.027163624 0.006044082 0.006947328 0.053032647 0.007059192 0.032098341 0.053364297 0.074902744 0.112160045 0.085932217 0.073869267 0.074462184 0.114429255 0.087621649 0.071799488 0.102459239 0.088609261 0.083373587 0.066087691 0.080897178 0.07712174 0.045968528 0.076085551 0.078612805 0.060657995 0.060241739 0.060914262 0.060087623 0.061825671 0.062897615 0.060670461 0.060541886 0.062777961 0.063330919 0.060022482 0.063157996 304.0706_17.54 0.011768442 0.008582788 0.008139661 0.005756944 0.013864125 0.010024211 0.013099616 0.011877193 0.013735528 0.01718425 0.009072501 0.010666913 0.011887149 0.007140208 0.007414949 0.001063711 0.003037768 0.00501903 0.009249159 0.011476966 0.009957497 0.008338826 0.002156252 0.008822591 0.001775718 0.001841919 0.00397121 0.01152748 0.003541671 0.006860861 0.004210153 0.001736609 0.009549006 0.008416725 0.000664969 0.012667296 0.008602688 0.009021168 0.011237724 0.017863331 0.01618518 0.012487734 0.017891192 0.010297428 0.005435 0.004454989 0.007302731 0.005933442 0.005531742 0.008466055 0.006143475 0.003859006 0.002888644 0.008337497 0.005566328 0.002867597 0.009589702 0.001982736 0.001064712 0.005606085 0.001835704 0.006470885 0.01396868 0.009107624 0.012855509 0.009255296 0.007053699 0.017079182 0.013067879 0.009009095 0.010391079 0.007466308 0.011127722 0.008084105 0.007298947 0.008993871 0.007678176 0.011266349 0.013224147 0.011707544 0.01003234 0.010470004 0.010914428 0.010601057 0.011407967 0.011201268 0.010375583 0.010505775 0.011249456 0.011344353 0.010659268 0.01073428 732.7164_11.65 0.001827229 0.001694345 0.00174021 0.002766845 0.003922155 0.004646764 0.002832759 0.002055484 0.002665028 0.002943752 0.002289514 0.001890644 0.002183796 0.004298053 0.001646732 0.004124322 0.002861575 0.002384811 0.00241099 0.001712555 0.002251547 0.003202726 0.005116324 0.004020196 0.002564722 0.003886847 0.0045382 0.005454469 0.003624896 0.002270295 0.002636155 0.002563791 0.002400987 0.003900338 0.004095291 0.001628872 0.001449392 0.001882159 0.001642744 0.000881926 0.002974594 0.004142611 0.002461374 0.001707728 0.002961197 0.004268864 0.004013116 0.001869943 0.005218697 0.003534044 0.003038664 0.001899124 0.004097364 0.004563443 0.004047516 0.002232938 0.003386362 0.002798925 0.00270469 0.004482538 0.000386554 0.002510599 0.000641672 0.001969504 0.002638395 0.001758602 0.001580477 0.001216029 0.004205313 0.003224205 0.002385637 0.002156321 0.001957227 0.003241395 0.00204902 0.001216437 0.001697133 0.002767257 0.003089261 0.004155447 0.002361781 0.002478258 0.002320474 0.00222247 0.002217662 0.002593617 0.002670165 0.002199501 0.002446562 0.002470172 0.002149047 0.002696588 89.0248_16.92 0.616479378 0.572171331 0.578451253 1.161914148 0.242906623 0.385174412 0.394835903 0.493187838 0.541824434 0.372066126 0.5906211 0.650498619 0.612519073 0.592478649 0.496231916 1.359219103 1.325668446 1.10965741 0.436809897 0.817032554 0.561805005 0.838051854 1.464476584 1.185975444 1.138829823 1.18966388 1.555390173 0.765466616 1.466971173 1.291858267 1.267745103 1.171725077 0.668158465 0.488584431 1.40008714 0.305625883 0.273845927 0.507695362 0.742318007 0.526807642 0.768610909 0.611376576 0.523513054 0.480469691 1.133325498 1.568161165 1.084345526 1.24995681 1.630208689 1.096213281 1.376716952 0.911330571 1.244751656 1.393627343 1.346518607 1.059807529 1.194937056 0.998501892 1.369574008 1.187805031 0.76972084 1.02091173 0.474800829 0.791707209 0.826295084 0.54837967 0.562770805 0.45077199 0.694735964 0.665034871 0.664339444 0.653807545 0.605163309 0.60522915 0.689450897 0.52913802 0.503408239 1.012138559 0.768154688 0.9723026 0.927062826 0.860342962 0.832466224 0.808883532 0.680297707 0.816059414 0.918432445 0.844156611 0.818200347 0.858976148 0.837592181 0.831956679 103.04_17.41 0.150770048 0.037164663 0.069154094 0.030902669 0.031258904 0.04606885 0.054955765 0.057279399 0.093888217 0.032824902 0.032967997 0.16440937 0.057160052 0.037362335 0.062602569 0.164982655 0.032070902 0.049106939 0.059725933 0.116949239 0.063199257 0.03433608 0.045725047 0.049697611 0.183236024 0.019830566 0.037112443 0.061633858 0.072731838 0.041871393 0.070130188 0.187354809 0.043084068 0.149256527 0.032910333 0.052805837 0.094549828 0.068559395 0.054736515 0.053835098 0.047184849 0.031081997 0.048679697 0.063755817 0.147885926 0.103119915 0.16588706 0.042618369 0.129325478 0.157023938 0.105157937 0.253554523 0.230259024 0.115300996 0.050740413 0.106811007 0.081247562 0.139527828 0.107312716 0.032431316 0.03564145 0.165271381 0.03815367 0.042748729 0.043178083 0.032123097 0.054403228 0.073814522 0.178441691 0.041064681 0.10821171 0.039741138 0.127769309 0.036413568 0.16590455 0.042502511 0.122219576 0.073978779 0.05014828 0.098920891 0.08011819 0.080453697 0.078728232 0.076483697 0.075706438 0.080340965 0.079676871 0.07577085 0.079893112 0.08011819 0.075705795 0.07913431 150.0561_17.65 0.055053543 0.05443159 0.05879095 0.06933464 0.05111879 0.060184924 0.051336006 0.049397168 0.056355681 0.046436658 0.054393936 0.065348937 0.056840089 0.065868437 0.058381969 0.105734817 0.075094975 0.079794707 0.062523532 0.076410633 0.059658682 0.075303597 0.104616821 0.061053447 0.101877725 0.075786529 0.077152067 0.080429506 0.06577199 0.073450837 0.067841082 0.091977107 0.054632338 0.0537311 0.085821264 0.051464686 0.055513377 0.071386966 0.057561218 0.081220331 0.071141939 0.055009416 0.053126121 0.039336544 0.06280677 0.080504678 0.055075992 0.059003497 0.087371829 0.05452418 0.066051628 0.055301927 0.069997692 0.081171881 0.071226132 0.068708722 0.061571897 0.061059323 0.067323738 0.078921918 0.076830944 0.056295215 0.047436681 0.054062336 0.065346245 0.049458672 0.049869325 0.053937921 0.067772944 0.053711731 0.052535336 0.067649841 0.05432784 0.053102232 0.051702461 0.052660187 0.055806788 0.058218492 0.056445465 0.062429949 0.056267179 0.056508555 0.055266555 0.052948225 0.045258778 0.05298567 0.059880528 0.053212346 0.056072505 0.058061491 0.053915507 0.058111384 194.0492_17.52 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 180.0336_22.46 0.110997504 0.108169745 0.114474964 0.095198037 0.105702255 0.108374775 0.109489969 0.106839019 0.097652668 0.109822132 0.099776758 0.112801684 0.110410975 0.092313105 0.097339314 0.085656351 0.081920668 0.079905918 0.102727011 0.109126 0.095864832 0.096133095 0.088115602 0.099392457 0.088143851 0.099950846 0.091710914 0.110839967 0.097952193 0.102820727 0.099906406 0.082711404 0.100254031 0.102360988 0.088300306 0.115793826 0.101194769 0.11059025 0.106268796 0.107302748 0.079453616 0.092514444 0.09485125 0.09335377 0.084706001 0.082492785 0.094844191 0.088409756 0.08297437 0.090578471 0.091881102 0.087274612 0.090405876 0.079037335 0.093245223 0.079316988 0.085192843 0.087210659 0.083473937 0.085167381 0.087089049 0.085261625 0.076256338 0.092674248 0.087575162 0.092701446 0.092905987 0.088905959 0.090365218 0.092316018 0.09411677 0.080222586 0.096362395 0.092999852 0.089910019 0.091885631 0.08548401 0.093231753 0.086060409 0.097582166 0.095589583 0.086766007 0.091604181 0.090561498 0.095036979 0.091555613 0.09102492 0.091667636 0.087539807 0.099307117 0.100266482 0.081401746 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z RT 320.1569_25.69 320.1569 25.69 362.079_17.52 362.079 17.52 335.0458_13.45 335.0458 13.45 313.0547_16.95 313.0547 16.95 117.0192_17.35 117.0192 17.35 383.0283_14.32 383.0283 14.32 279.0596_15.9 279.0596 15.9 201.0383_16.95 201.0383 16.95 172.0981_17.53 172.0981 17.53 352.9956_13.38 352.9956 13.38 366.1774_17.5 366.1774 17.5 645.0867_13.39 645.0867 13.39 369.0023_10.49 369.0023 10.49 259.0072_15.64 259.0072 15.64 222.1346_28.28 222.1346 28.28 667.0693_13.4 667.0693 13.4 405.0274_15.65 405.0274 15.65 277.0308_17.37 277.0308 17.37 333.0229_13.1 333.0229 13.1 114.0559_23.82 114.0559 23.82 359.1216_17.54 359.1216 17.54 319.0073_13.11 319.0073 13.11 341.9992_13.2 341.9992 13.2 499.2407_17.49 499.2407 17.49 130.0872_28.28 130.0872 28.28 128.0353_15.89 128.0353 15.89 237.0501_17.65 237.0501 17.65 233.0795_17.7 233.0795 17.7 116.0715_28.67 116.0715 28.67 270.9612_15.64 270.9612 15.64 180.0663_24.91 180.0663 24.91 448.1499_17.5 448.1499 17.5 164.0716_25.05 164.0716 25.05 269.088_17.24 269.088 17.24 146.9831_16.99 146.9831 16.99 680.7489_11.67 680.7489 11.67 162.077_22.45 162.077 22.45 417.1133_17.64 417.1133 17.64 237.992_22.45 237.992 22.45 115.0033_15.11 115.0033 15.11 159.1008_17.47 159.1008 17.47 202.0963_13.98 202.0963 13.98 438.1188_17.52 438.1188 17.52 283.1049_17.33 283.1049 17.33 133.0145_16.3 133.0145 16.3 627.8515_14.18 627.8515 14.18 203.0204_25.69 203.0204 25.69 104.0355_27.86 104.0355 27.86 143.0824_13.98 143.0824 13.98 502.8597_13.4 502.8597 13.4 174.0884_25.68 174.0884 25.68 258.9969_17 258.9969 17 146.047_25.25 146.047 25.25 172.9913_9.02 172.9913 9.02 274.104_21.25 274.104 21.25 191.0199_15.65 191.0199 15.65 299.1003_17.75 299.1003 17.75 131.0453_26.19 131.0453 26.19 319.0653_17.49 319.0653 17.49 187.0725_13.98 187.0725 13.98 145.0616_25.69 145.0616 25.69 395.1303_17.63 395.1303 17.63 135.0297_16.69 135.0297 16.69 183.0171_17.6 183.0171 17.6 105.0195_16.65 105.0195 16.65 107.0498_9.35 107.0498 9.35 233.0782_13.99 233.0782 13.99 605.8688_14.19 605.8688 14.19 197.0341_17.56 197.0341 17.56 299.1013_17.38 299.1013 17.38 212.0022_9.53 212.0022 9.53 239.0922_17.59 239.0922 17.59 225.0618_17.51 225.0618 17.51 291.0827_13.98 291.0827 13.98 117.0534_17.33 117.0534 17.33 330.1181_17.64 330.1181 17.64 374.1125_17.5 374.1125 17.5 449.151_14.06 449.151 14.06 124.0092_17.55 124.0092 17.55 315.0411_14.32 315.0411 14.32 167.0218_17.58 167.0218 17.58 347.0855_17.58 347.0855 17.58 179.0571_17.54 179.0571 17.54 304.0706_17.54 304.0706 17.54 732.7164_11.65 732.7164 11.65 89.0248_16.92 89.0248 16.92 103.04_17.41 103.04 17.41 150.0561_17.65 150.0561 17.65 194.0492_17.52 194.0492 17.52 180.0336_22.46 180.0336 22.46 METABOLITES_END #END