#METABOLOMICS WORKBENCH sara_martinezlopez_20240215_054606 DATATRACK_ID:4640 STUDY_ID:ST003103 ANALYSIS_ID:AN005078 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 RP-UHPLC-ESI(-)-QTOF-MS CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) CH:SOLVENT_A 10 mM CH3COONH4 and 0.2 mM NH4F in H2O/MeOH (9:1, v/v) CH:SOLVENT_B 10 mM CH3COONH4 and 0.2 mM NH4F in ACN/MeOH/IPA (2:3:5, v/v/v) CH:FLOW_GRADIENT The chromatographic gradient started at 70 % of B at 0 - 1 min, 86 % B at 3.5 - CH:FLOW_GRADIENT 10 min, 100% B at 11 - 17 min. The starting conditions were recovered by min 17, CH:FLOW_GRADIENT followed by a 2 min re-equilibration time, reaching a total running time of 19 CH:FLOW_GRADIENT min CH:FLOW_RATE 0.6 mL/min CH:COLUMN_TEMPERATURE 50°C CH:ANALYTICAL_TIME 19 min #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The mass spectrometer operated in full scan mode, scanning from m/z 40 - 1700 at MS:MS_COMMENTS a scan rate of 3 spectra/s. During the analysis, a solution containing two MS:MS_COMMENTS reference mass compounds was continuously infused to the system at a flow rate MS:MS_COMMENTS of 1 mL/min to provide mass correction. The reference masses used were m/z MS:MS_COMMENTS 121.0509 (purine detected as [C5H4N4 + H]+) and m/z 922.0098 (HP-0921 detected MS:MS_COMMENTS as [C18H18O6N3P3F24 + H]+) for ESI(+) and m/z 119.0363 (purine detected as MS:MS_COMMENTS [C5H4N4 - H]-) and m/z 1033.9881 (HP-0921 detected as [C18H18O6N3P3F24 + MS:MS_COMMENTS CF3COOH-H]-) for ESI(–). At the end of the analysis, ten iterative-MS/MS runs MS:MS_COMMENTS were performed for both, positive and negative ionization modes using a QC MS:MS_COMMENTS sample. They were operated with a MS and MS/MS scan rates of 3 spectra/s, 3 MS:MS_COMMENTS precursors per cycle, a mass range of m/z 40 - 1700, a narrow (~ 1.3 amu) MS/MS MS:MS_COMMENTS isolation width, and 5000 counts and 0.001 % of MS/MS threshold. The collision MS:MS_COMMENTS energy for the first five iterative-MS/MS runs was set at 20 eV, and the MS:MS_COMMENTS subsequent five runs were performed at 40 eV. To ensure accuracy, reference MS:MS_COMMENTS masses and contaminants detected in blank samples were excluded from the MS:MS_COMMENTS analysis. This prevented thein inclusion in the iterative-MS/MS runs. Data was MS:MS_COMMENTS acquired using MassHunter Workstation Software LC-MS Data Acquisition v B.09.00 MS:MS_COMMENTS (Agilent Technologies, Waldbronn, Germany). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area 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 Cer(d18:0_16:0) 2618 2399 2316 5164 4993 2525 4052 4098 1933 1862 2692 2885 2318 3663 2542 3906 1450 3572 3266 1965 5565 4439 3368 4836 1990 1390 1155 3733 3557 2675 5694 1637 2327 2972 7304 2171 1821 5421 4082 6110 3573 2579 4288 4922 4089 8942 4577 7723 4464 4487 5926 2058 1535 5757 2040 3540 4365 4430 3669 5441 4755 5114 480 3506 5286 3739 1605 1401 6259 2716 5170 2275 2840 4346 3821 2022 2625 5322 3029 2325 3229 3759 4169 3408 3318 3927 3448 4338 3131 3520 3634 3655 Cer(d18:0/22:0) 13710 7484 9078 17887 9521 9156 10910 11431 5946 7903 11828 7761 6146 8809 6811 6602 7216 11030 6332 9027 9507 5749 10328 6879 8017 6113 4520 7998 7560 4719 11586 7323 6210 7029 9965 7656 9054 8762 7751 10794 7010 6328 8013 8512 5197 11981 5494 7719 8456 5960 4883 4107 5588 7042 5299 7068 6827 8568 5036 8268 5604 7865 4359 7981 9589 5637 6578 7025 10467 6198 10750 6291 4158 10345 6074 5614 4074 5698 6425 5366 8365 8267 8393 8828 8634 8805 8738 8544 7729 8111 8303 8767 Cer(d18:0/23:0) 6163 3098 4327 7461 5206 4443 5864 5752 4072 4514 5521 4574 3191 3156 4611 3314 3077 3986 3629 4820 4905 3122 4103 3119 5184 3764 2597 4879 4975 2942 6282 4255 3508 5151 5375 5306 4759 5356 4869 5766 3685 3251 4450 4201 4283 4367 2812 2844 4097 3255 2718 1433 3935 3878 2823 3223 2910 4834 2266 3075 3113 4639 1198 3004 4324 3338 3697 3539 4457 2802 6506 2676 2019 3387 3121 2934 2619 2475 3990 2636 4356 4413 4518 4186 4480 4938 5225 3960 4355 4325 3558 4534 Cer(d18:0/24:0) 12505 6533 8523 12968 7610 6827 8204 9529 5998 6164 10651 7293 4550 6721 6522 5612 5746 7168 5266 8187 8625 5244 7115 6053 7265 6444 4072 7381 6897 5043 9935 7844 5499 7038 8142 8487 8753 7724 6185 8926 4939 5100 7045 5448 4470 6943 4454 4593 6983 5181 4884 4213 5657 5650 4388 5719 5705 6869 4289 6427 4926 6661 3660 5970 5969 4915 5366 5609 8583 5812 9377 5430 3524 7619 4440 4823 4047 4804 5906 4985 7504 7287 7719 6340 7241 7610 7672 7061 7388 7948 7013 7572 Cer(d18:0/24:1) 156935 99580 146076 227682 226100 156319 142166 150246 116312 113104 212477 193303 100517 97043 165751 110949 105253 133941 142388 176911 164611 109972 192909 174987 125583 132511 78147 142207 129073 92633 158635 116834 167456 205120 159342 187322 154731 164037 191197 127847 97402 124854 113650 147581 134248 134336 147751 86108 158667 128178 131014 56280 103833 107360 133250 122999 126940 153857 106225 112385 109614 111591 35649 83272 91338 107969 84921 86648 92756 103303 149090 86281 42481 144357 51660 69854 71708 60861 113682 139384 145831 143080 148988 134746 147934 147880 149749 144939 146891 143763 141704 143902 Cer(d18:0/25:0) 2208 1420 2145 1969 2096 1594 2205 2494 1839 1333 1637 1817 1500 1334 1962 1347 1252 1343 845 1834 2409 877 1293 1094 1288 2187 1033 1900 1646 691 1897 1722 1143 2095 2697 2311 1831 1116 1340 2046 1755 1574 1734 1038 1712 1746 1024 1246 1832 1510 1244 774 1363 1204 1142 1580 1507 1601 784 1498 1134 1681 1038 1423 1387 1557 1478 1466 1127 1477 2173 1235 882 1270 1477 1013 1598 1208 1334 1575 1378 1668 1508 1432 1498 2082 2182 1790 1354 1738 1734 1396 Cer(d18:1/16:0) 53175 66806 77060 108442 120880 103544 82987 86588 81950 65626 83736 94574 62057 74300 95930 118192 73008 82010 107909 86777 100275 82406 114905 119702 58740 71170 58304 104201 94873 83582 97116 54142 92357 90496 117292 82423 71349 102433 99189 83039 69422 88402 104648 94406 140399 155479 157678 135428 132193 123519 190716 87064 108190 130376 101768 99453 145702 112663 121969 138364 127975 117803 25531 62079 86997 85615 60267 66638 73513 84309 143223 63510 68294 101419 82512 52114 78315 94101 106622 95002 98368 93035 99015 92812 97863 98372 98424 99703 97127 99136 97373 101042 Cer(d18:1/16:1) 13993 17213 16917 16524 22506 21442 20528 19431 22349 14157 18496 22811 14513 15192 20532 24952 14913 18774 22278 20670 17408 26571 29701 32894 16053 14492 13559 28352 20813 19403 24159 16168 21616 19266 24732 21449 16224 22125 20566 18935 18704 20164 26750 14272 22758 31742 44678 28499 26697 22995 41276 19934 27099 37825 24266 24302 36183 27505 29042 31569 29848 28790 5254 13426 19603 19880 15030 18250 15538 23430 41757 16598 19498 23651 26630 17380 22111 17031 22485 29805 24048 21541 21366 20554 22805 23820 22314 22874 23008 24207 23722 23065 Cer(d18:1/18:0) 7521 9669 17746 39098 22581 35552 16761 16469 18849 22647 24091 33806 17181 15652 25769 19310 16069 26928 28212 20218 33690 11189 28700 18178 9276 14739 14808 28543 20660 11454 18885 8423 17708 21527 19773 24665 19527 22506 17937 18782 18403 15559 22994 20168 31114 47002 37555 42800 37377 20992 41981 17427 25597 34387 20869 22518 33843 26873 25386 32201 34691 30883 6326 12411 30118 24005 19589 18649 12949 19828 39293 13085 9114 22883 16369 12361 13698 18420 21022 15799 23055 22468 22326 21702 22747 24280 23641 23151 22249 21959 21830 22323 Cer(d18:1/20:0) 22026 18728 29660 51869 49764 60430 27212 27669 25297 35818 40684 40698 21090 23377 45979 29587 34721 31767 45576 30341 56505 22118 56609 34780 15967 28716 16947 41895 27919 20909 30226 12227 32617 37341 27592 48639 19706 32999 28498 25736 26712 32099 26286 50133 41456 55050 56635 36775 56780 23402 65441 13620 30427 35842 44354 28603 49895 37771 29681 41908 38508 36744 11750 27940 32368 32492 23079 23206 19265 31039 32450 25182 12370 35372 13816 15183 17896 15857 33752 35565 33144 32576 34856 29790 33005 33541 35760 33608 33964 34786 32195 33198 Cer(d18:1/20:1) 3970 4761 5244 9806 12543 16046 7833 7367 11442 7029 8536 12595 7336 8606 13722 10752 6411 7471 16688 10147 11367 7220 17080 14166 4385 7074 8421 13163 11130 11846 10211 4433 9803 11875 7499 14141 6177 11680 6140 9004 6967 7316 11566 6300 10602 13755 22672 13906 11694 8719 21924 5176 14826 16598 9878 7758 15450 12006 10623 10781 10315 16260 1931 3723 8742 11930 6896 9555 5635 9781 16242 4955 5692 9813 8663 4936 11010 5349 12156 15846 9921 8951 9458 9894 10000 10559 10477 10486 10449 11424 10245 10791 Cer(d18:1/22:0) 109366 79776 108771 204391 190546 167262 115380 114911 91904 103185 171794 153196 86438 78554 140792 98024 108321 115542 135112 124249 166244 87436 221235 148415 75968 106886 58719 132165 110232 76162 113928 70726 123761 142921 125894 149381 101049 118240 134352 95031 99266 113483 85858 155044 123191 158699 164807 109842 166734 101260 166374 48638 90420 93826 137194 102140 146898 143102 109396 119937 123933 98521 32277 87239 95203 98327 69438 74539 66010 95075 115133 80780 41145 116370 47391 51866 52282 50166 109140 130823 119668 109792 119952 109736 122428 121320 122078 120388 117728 122243 117599 121514 Cer(d18:1/22:1) 78519 65817 63384 114168 173873 153494 100279 93432 97014 103352 85873 115909 65580 73459 134138 119060 115515 83853 127329 105275 141791 96093 255585 194130 58376 100575 72818 147393 108940 99216 122647 55500 127813 141775 119896 141907 73208 100073 85460 82025 86661 109622 66216 108396 96647 141853 220799 90593 142943 93221 240491 54873 106452 99401 142973 90459 177437 138379 116613 104996 143412 102028 20091 60721 84271 83049 52356 62657 55050 116863 93329 73951 53125 113696 48350 36861 63256 54342 105985 216169 102233 97613 106891 103211 106825 107793 109348 107748 101613 106790 102634 106841 Cer(d18:1/23:0) 42358 30617 52149 76838 84888 71546 62987 68002 49143 60327 81529 89293 48745 39127 89793 44992 47922 50145 70038 65193 57411 38877 82050 59705 48149 55021 33184 72554 54960 35460 55270 44408 62848 83556 65249 83279 54087 61339 71450 50952 47262 50657 53483 59032 74467 56031 81588 40886 72463 56341 74112 26720 46086 47341 60584 45745 52550 64936 43866 35681 52605 59852 14196 29935 50796 47940 40096 39328 31778 41678 73199 32359 15392 48661 25676 28031 32068 25643 58925 49489 58591 56708 59086 54845 59079 60057 60871 62027 56982 58807 58596 60058 Cer(d18:1/23:1) 41524 35615 50755 83155 130426 102173 85562 87289 77496 97080 64463 112047 65382 54385 146936 90457 80650 56002 113721 86490 104956 69111 203123 128572 58955 88496 61497 133980 97550 77216 81049 51709 104033 136621 113158 137783 64686 84572 78205 71595 75923 89056 66192 80303 96083 89997 192004 59327 108541 90589 182210 41660 85441 73893 110550 60237 108016 119071 88521 56626 96685 94794 13023 35443 65784 70712 45559 47126 36681 74206 82858 46425 30711 63326 38795 29752 61453 45713 107170 120068 86436 78964 84874 78840 89700 87103 88858 87401 85444 85063 82046 84224 Cer(d18:1/24:1) 147141 123602 195244 341352 338503 319274 256646 235286 163744 185815 251286 374995 180015 158281 373344 319568 167416 175052 259755 264680 349073 144933 383975 261883 181659 211293 138565 250911 294784 193928 218086 150326 233700 269603 247530 366105 235523 282529 227357 194542 154492 249174 212123 257573 332227 327983 513250 185350 435394 254237 396177 193401 284004 281400 282301 215105 274331 233438 299612 296820 268654 354243 61650 104605 152616 224607 168180 184460 177962 182304 367114 133387 82580 258248 137308 100547 177072 296062 312509 217442 257801 219263 242967 235230 254986 250181 252153 251242 254000 251560 261873 238028 Cer(d18:1/25:0) 19325 10568 23054 30162 35963 21814 33118 33221 17072 34206 25317 38150 21981 25591 30922 10926 17215 21958 25593 27219 38430 12581 21425 10068 22267 29708 20050 31204 23463 14172 23231 19344 28930 28670 48673 42613 25305 18878 25249 24127 19352 26431 20144 21281 28333 26087 26724 12726 28926 26005 24985 8728 18175 14984 21651 25715 19254 31318 14094 18786 19169 22252 5376 16736 16260 12939 16050 13839 15785 22209 25285 13259 5273 17984 7387 11104 10782 12961 16672 18915 23421 21687 24061 21940 24049 23566 23904 23416 22579 23760 22766 23402 Cer(d18:1/25:1) 18150 11662 23958 29449 39829 33708 41426 40464 20372 45761 28775 57369 30900 30773 41391 16468 22994 21787 32671 29051 49875 10714 23040 11359 24555 33024 30334 33864 33018 16686 26183 19908 32848 28727 57128 61299 28900 18320 22210 29053 21263 34504 26401 25137 40352 42470 39817 14678 41099 35261 41141 14762 29958 22639 30220 26275 21223 29834 18996 25976 25867 46968 6637 15389 21882 16744 23114 20705 18530 29907 35434 13751 7788 22873 12443 12846 15071 27189 26992 18654 28299 26170 28719 26156 29541 28088 27867 27821 29440 29859 28437 29103 Cer(d18:2/22:0) 78519 65793 63384 114142 173873 153466 100279 93407 97014 103352 85873 116050 65580 73459 134188 119087 115490 83914 127329 105275 141758 96093 255514 194130 58376 100548 72845 147393 108885 99216 122647 55500 127739 141739 119850 141875 73208 100040 85460 82047 86602 109622 66216 108361 96647 141742 220736 90644 142943 93158 240499 54873 106452 99372 142947 90459 177343 138353 116613 104962 143411 102028 20091 60721 84322 83049 52356 62657 55050 116832 93329 73911 53125 113654 48463 36861 63224 54396 105985 216063 102259 97548 106891 103211 106765 107793 109254 107721 101613 106790 102661 106814 Cer(d18:2/23:0) 37145 30637 42533 70511 115768 85592 71689 74469 68697 82168 54829 94898 57375 48328 129166 75846 70599 48232 100397 77509 89587 63966 190246 120080 52590 76988 54077 119153 84349 70107 70932 46246 92124 123400 100323 116627 56444 75821 69841 62375 69463 77821 56838 69894 79550 75393 169805 52307 90019 79511 159287 35407 73152 63281 94960 52085 96192 108696 79434 47251 84243 79330 11042 30261 56336 61847 37258 39412 30980 64966 67477 40740 27335 53965 34622 26009 55012 35430 93676 110724 75855 68429 75342 69872 78990 77321 77056 74944 75008 74061 72152 73797 Cer(d18:2/24:0) 147141 123602 195244 341352 338503 319274 256646 235286 163744 185815 251286 374995 180015 158566 373344 319568 167416 175052 260063 264680 349073 144933 383975 261883 181659 211293 138565 250911 294784 194110 218086 150326 233700 247481 247873 366485 235523 282529 227357 194542 154492 249174 212123 257573 332550 327983 513795 185591 435938 254237 396177 193401 284004 281400 282646 215105 274331 233764 299971 296820 268654 354243 61724 104605 152616 224607 168180 184460 177962 182304 367114 133387 82580 258248 128218 100547 166067 296422 291826 217618 258056 219263 242967 235230 254986 250181 252153 251242 254000 251560 262212 238028 Cer(d20:1/24:0) 2542 1476 2449 3108 3017 2257 3258 3306 2285 1730 3042 3909 1830 2300 2878 1747 1294 2419 2345 4700 2659 1759 1844 1697 2973 2977 1651 2395 2294 1557 2267 2580 2647 3293 2711 4162 3136 1955 3236 2982 1457 1970 2250 1885 1854 1708 2615 1091 2092 2177 1061 1372 1532 2202 1584 1701 1353 2101 1654 1720 1598 1800 1105 1572 1516 1723 1820 2220 2467 2050 3682 1193 956 2258 1376 1671 1691 1273 1730 1947 2512 1924 2522 2029 2343 2480 2575 2479 2625 2647 2376 2732 DG(16:0_20:4_0:0) 3346 3964 3809 26548 10139 847 3143 3493 3980 9107 4034 5159 4851 2998 1553 2404 4834 8139 2772 2327 31278 6348 15427 8570 2208 5954 5215 11195 4505 1709 6610 2568 6255 4392 11682 1723 3610 2848 10904 3678 17011 1791 4312 10515 3135 12885 3552 11626 9340 3530 3568 4369 3824 5595 11248 7374 6568 5318 5784 9014 16307 2412 1470 5395 21871 5167 4380 2210 1508 2227 5655 17615 1972 5083 4052 1360 1425 4565 2082 3693 6981 5558 5843 6177 6508 6908 6580 6114 6598 6569 5953 5845 DG(18:2_18:3_0:0) 229 218 504 9240 3407 166 281 351 644 1342 703 349 456 258 119 56 512 870 217 63 17039 1601 4620 1087 128 1993 260 4618 185 59 210 52 631 392 1535 356 291 500 2493 583 5727 670 538 3013 54 6085 291 2712 721 55 225 186 154 1179 4386 457 336 343 179 2021 4331 177 208 7528 2318 1285 639 535 61 872 7504 272 936 118 130 185 163 493 368 1334 938 895 962 1155 1107 1467 1596 917 1332 956 620 FA 14:0 698740 258858 446755 1127005 293380 303531 419100 438375 1394715 407309 1252306 620301 670076 294407 373051 530990 449266 614304 459979 510026 780082 254363 356247 219825 577839 209868 318969 303796 415681 360329 501742 602843 352769 969380 1005164 346507 296007 349495 709453 438260 762571 128867 327332 443829 1460260 1718136 578249 949607 789413 1377210 1051314 614266 1270947 1146850 1085082 383061 503214 759507 1061163 426060 672273 915236 211749 239986 542473 354211 503131 443358 1468653 801866 517026 380254 317221 348003 472024 99046 222997 338001 411506 970166 584891 610453 618473 583607 563452 604908 601098 597167 593606 608360 604259 621151 FA 14:1 78492 30150 59519 104592 29578 44239 59642 64333 207963 43235 167078 106421 84197 28451 73124 146588 66109 95680 80759 61223 126728 31561 38729 29241 114940 34904 34893 51365 46110 71547 70954 117387 47429 110149 122163 51460 51642 75845 66894 57357 106625 20447 50801 59933 188004 255209 154440 130539 128761 183158 130499 63870 165069 135133 217723 52955 77598 131631 109444 70844 63593 185270 29050 24274 96318 79893 88216 83365 206262 164633 149296 47914 39275 54721 49465 14722 35157 112260 49285 104633 90253 87090 87755 80262 99201 89953 94174 92973 86484 85486 86368 86328 FA 15:0 22080 10242 18263 28637 15915 16319 24636 25703 41224 20511 54794 36384 35843 15797 27827 25901 23057 23143 30150 21747 34879 12688 9030 7027 26506 15582 21327 23377 18501 20060 28572 25956 29243 49342 61572 25653 16564 25956 35474 33260 34141 10275 22177 21298 74472 51336 31108 37330 24224 56666 50330 21723 44834 39880 39616 19390 19960 35793 28376 15399 21554 46689 11656 17667 28513 21809 20122 24367 24673 24943 32311 20314 13955 13768 32173 10292 14758 19987 24300 36162 29478 31059 31899 26012 27151 28542 28473 27997 27441 28245 29624 31938 FA 16:2 38971 18185 20665 45355 11356 13924 17563 17985 38162 14244 30708 28216 17396 8932 30555 60015 36585 35651 12837 24029 35981 26913 45250 43813 27873 10480 12796 13906 20954 26587 26766 29214 11122 36015 33643 13054 17021 16809 23845 11561 20842 9703 17229 73298 38173 57590 31631 42358 55619 51098 39304 23255 47727 59121 52641 34739 35580 35608 64411 23766 44893 35292 24094 19568 20454 26246 24734 18863 40150 27361 31249 15992 16667 28482 18831 8956 16871 34348 22801 38441 29126 30018 30413 26820 28365 29659 30621 29532 28773 29513 30002 29610 FA 16:3 23634 20052 16680 33643 5746 6510 10916 9484 23276 12945 19450 17821 14879 8641 14225 17142 17685 22562 8542 11551 30425 16795 17828 16540 14379 7294 8717 8938 12635 18899 14790 13562 9023 20816 19721 9396 11835 10324 18297 7890 14175 7780 14700 28217 14881 45557 13633 21902 33131 27443 23567 13027 26230 29691 45327 20996 18773 21764 45205 15522 27036 21056 14190 10391 15251 14588 15748 10416 18144 13915 18577 13715 8422 21611 11450 4713 6227 19189 10899 19238 17074 16670 18660 17260 16253 18059 17676 17341 16739 17746 17209 17990 FA 17:0 195114 94487 126232 196668 80287 111057 130964 130287 252664 103602 206391 247856 165734 87810 133918 197148 139512 168022 120296 168420 183203 102813 101403 101554 140090 64163 90350 104207 146222 109430 186785 144498 149241 331475 216503 173048 120535 109756 228639 134134 152777 58431 126244 201870 334397 336490 192811 202679 240779 308934 310853 196152 292502 275937 218895 149246 154843 216755 303248 100315 227365 238534 86636 93160 119534 127263 139445 161435 140314 160909 175430 107823 109388 114098 150555 59918 130101 108548 156007 214579 167563 165745 176843 168171 159073 166068 178267 172555 166708 171326 175695 171305 FA 17:1 177615 53121 102351 180508 45754 74695 98439 98670 284961 68814 194299 196063 130821 47558 88636 190838 111518 134641 93473 111394 158282 55387 85365 69420 126702 37498 52424 74651 96626 76689 116122 137145 77664 190888 157740 120830 89900 7152 131266 80910 141396 35204 98646 119083 264899 388996 186769 176162 220778 280163 239528 134552 270361 203008 230261 106595 128486 175852 235625 85984 166238 244919 54989 40345 98840 103522 139165 149792 194986 185863 170916 79657 73429 83091 105108 28607 104168 112858 104623 137623 132729 137619 139025 131067 129279 133701 134901 135911 135962 138870 138230 139910 FA 18:0 6436887 4522980 4527830 8039169 3323369 4676579 4756114 4948991 8583963 3511581 7936508 7734106 7034347 3956220 5076158 8006361 5522761 6337752 5888711 7408156 8656246 5236777 4730856 4804041 5565850 2666227 3512030 4523919 5952584 4770113 8002892 5779540 5501319 9867757 7237572 5270596 4709291 5696456 8726548 5467829 5834394 3176818 5216373 7475877 8935070 11558752 6734864 9973202 8331827 9279979 9251644 7013227 10381057 10116278 7549402 5744613 6330014 7370640 11306339 4746464 8331136 7931821 3952251 3992010 4344410 5306801 5308336 6058881 6241264 5558776 7244921 4274605 5278054 5233182 6067755 2941938 4670761 4845178 6249811 7601469 6700284 6712771 6906737 6393354 6642404 6782127 6850708 6640446 6707575 6659027 6579553 6836819 FA 18:1 23959204 15203134 17115352 21716317 11359242 14510931 16973725 17388321 25746437 12917897 24201568 24783764 19897441 12645544 18554376 26162118 17499308 20114343 16291423 22184731 20866816 13597498 16261829 16644747 21128805 7347630 10335229 13031309 19461189 16996128 19554171 21329358 14069690 25661568 18595131 17793823 16159049 14834090 21090631 14306980 19757525 8411520 17658044 20854412 25998080 30008429 24676502 23030594 25604165 26032681 24777182 20655252 29896757 26300376 24794168 18113929 20166850 21711043 30680735 17424911 21488321 28164936 13737078 10480817 13179340 17083878 20282209 19834119 24264426 23354278 22706580 14092791 18772152 17687971 18930479 7699207 19428831 20133350 20198171 23350677 20580509 20353850 20630374 20417499 20500258 20764484 20793554 20670627 20799541 20812624 20637080 20642180 FA 18:2 16838908 9515481 9121131 12487175 7593175 7825631 9400965 9523789 15987378 9474281 14224307 13060494 9866132 6639204 9579937 16992283 11161937 13156093 7561675 13219153 12671120 10776292 12196576 11191449 12541112 3738684 4797675 7571538 9510300 9566871 14577385 12775006 7437623 16096363 11186542 7378239 8509483 7794835 12418041 6610154 10231389 4800481 9081996 16431031 15313653 18478519 13369080 13650117 17733703 16955434 16597786 13205452 17605347 17969813 16372973 12958623 15335226 15416423 18499871 8599777 14267529 14322115 7375098 8863221 8029991 8295412 10322851 8960635 16333408 15702388 12130691 7878044 9488638 11013377 10781785 4089512 9604265 10711849 9987596 17598187 12209352 12159611 12432053 12149380 12013397 12351602 12449120 12312013 12373898 12393658 12353558 12334486 FA 18:3 673192 216045 378142 535585 160538 230385 335002 348904 967867 234448 628229 541267 440231 270196 652090 533247 338963 396152 352472 618707 612773 424476 404064 362448 400792 198593 171343 268235 282446 334410 358385 414719 244759 796682 612289 309969 237784 298142 610944 236616 490877 130960 479846 734842 1247351 1022010 627001 996816 753501 967190 699530 498248 834158 1015016 861588 440496 346938 629676 1106348 267645 714699 800287 261377 191040 405609 290201 418233 478321 1732991 566825 661437 272013 252951 319923 447768 100575 425571 395216 634781 630295 529969 520391 521541 496179 508984 536183 533862 539855 527592 529597 526419 520124 FA 19:0 7249 6279 8621 11608 6967 9271 9039 8069 11844 6626 11574 11568 11544 7330 10386 10901 9429 8238 10131 8208 13208 6677 6889 7194 9065 6428 5882 9228 9085 8164 10690 10501 11060 12950 13380 10841 7972 10262 9691 11828 9380 6983 8450 10587 17980 20013 12643 9348 9061 13475 14885 9295 16773 11998 13634 9759 8714 13004 8915 8590 9932 12060 5120 8691 9804 9858 8353 10264 8507 8016 13933 8235 7994 7237 12825 8632 10621 8058 8657 10059 10635 10549 11113 10315 9928 10121 10557 10075 10573 11334 9725 10652 FA 19:1 46501 21686 32601 54384 19527 26810 33573 37125 68137 24169 65810 68827 43826 21004 33794 66209 40362 41592 37028 44246 57961 19648 25987 21396 44952 14808 18502 29105 39123 29191 42872 48798 34621 80070 53478 46210 33149 29684 52396 37468 47250 17176 35528 43654 90869 126984 70094 49559 74333 81410 82293 45067 100341 75750 66347 40109 46103 64370 76329 29048 55312 82991 20081 21640 29596 36113 45743 51864 51548 51925 68328 28255 30992 28694 38595 16736 39235 40959 40209 47089 48273 45328 46782 43711 47905 47618 49443 49115 48024 48630 46060 47401 FA 20:0 86542 35525 36681 58650 34985 39654 41876 43871 63818 29431 51886 45805 57887 37726 41716 70352 50777 48448 55330 52506 60100 57291 49176 58294 65413 38394 48985 39761 75784 56854 73022 65272 47064 61598 68099 31584 26229 45121 55146 36912 56266 35695 56527 51476 76324 100271 61250 86535 60029 83081 73864 51507 127743 90359 51807 41248 51468 63841 69913 44020 76422 84009 26013 37663 40341 45022 40121 43692 48659 43794 47357 38711 66238 40058 58285 30752 44978 37442 56781 63199 57605 56815 57738 52456 57672 56696 59403 56726 54904 53936 54363 58234 FA 20:1 330781 141091 192338 277077 102856 149974 165089 170628 290746 106232 333568 359087 229243 118600 243420 482808 222225 209813 172497 304118 322424 131264 173481 172787 289897 73778 97979 115789 294249 171776 217072 300492 152765 410769 255087 5788 168316 141337 286983 159265 251928 105991 177697 287344 402758 827292 392741 254047 402471 415011 420433 234990 781116 560375 316518 197157 261480 337838 543029 192571 274265 464478 123569 104843 98679 159077 239328 262391 276691 286742 378172 135210 256670 170409 212475 88307 253311 220974 288150 263811 270371 254431 262933 253883 263330 269351 272299 274994 266501 274835 258619 266070 FA 20:2 184237 102422 112982 174908 80349 85126 88528 94624 161155 104619 210730 199771 109075 81121 120862 224298 135233 148311 88842 152929 214352 110322 127435 106856 120622 38312 47413 83729 109733 93815 156115 126110 75942 243426 149105 111522 105311 101919 161647 106537 122363 72325 102409 259006 175741 451234 162379 137606 261285 219801 232713 135012 264791 285826 248460 146412 202010 207102 227237 109920 164131 145249 85760 94829 83503 95830 130750 131658 169539 169606 241116 92405 101590 135057 108574 63650 110151 128532 113785 175124 145580 140312 153066 146539 141807 148268 153295 147943 146122 150393 153451 150542 FA 20:3 115777 58104 98572 129867 77599 55713 69975 69787 136471 87180 137224 135783 79103 55300 72219 97863 93321 69420 70612 79551 181149 50035 65771 72764 52745 34074 43706 66108 66170 43374 57051 54686 45119 155349 146965 95340 76978 81112 100375 71876 77482 51715 68397 126453 84242 253574 74124 121795 120707 101418 138055 52475 120992 136053 204852 108588 76090 100018 112269 83762 81850 79080 51121 74278 116258 71400 82661 73569 132030 79758 123759 72142 50673 96720 45324 51660 53211 94584 69766 89462 95701 93539 97495 91054 93334 94042 95987 97677 96639 97053 94584 95276 FA 20:4 615767 231760 273212 478877 303240 207254 247875 219809 463798 245170 455896 622039 223490 211891 220339 534245 726441 285966 208133 163504 929051 218023 337811 303004 177568 180314 227182 170846 256203 180857 255382 187762 204861 611136 1018631 244644 264558 229462 465390 306661 281724 185829 348878 608717 287055 861403 212253 248580 462553 399261 329803 230953 441250 721809 753042 453856 243743 205193 308835 317633 238520 232309 182716 255093 339673 293955 393976 333186 518970 136134 456022 308013 229132 449962 263859 181225 206321 395694 225769 353242 336960 368186 383282 373148 331556 350693 363123 363803 365105 369274 371108 381914 FA 20:5 134806 5489 71741 80992 11228 33759 43817 41194 71168 14503 27957 55787 27312 11519 48254 94706 46568 17523 31967 16080 143128 17800 16874 19963 37866 24425 18419 11973 16963 20621 30086 41006 8704 76649 90114 32458 16523 16222 74152 34080 48397 60666 71143 137626 36946 99509 64300 40135 52799 73192 25182 29888 87839 470758 56520 17825 12983 20144 39645 7909 19932 57970 27784 31954 38629 21785 57383 104878 72201 14177 172441 15659 34000 28358 60644 58346 71962 124652 106930 11379 54456 55258 59556 56406 54305 55892 56630 56910 55326 57412 56762 56417 FA 22:0 150691 45272 36472 62359 41447 50125 46012 45221 59279 31777 42940 36953 52268 35226 39975 58136 57780 41764 42378 44835 72629 57571 53480 64149 53043 45550 44189 34378 68862 60852 94885 51693 54582 44039 61336 37521 22194 42202 44609 36000 60039 48572 48210 83746 53950 80548 58956 64344 56119 62376 67284 37734 81598 75765 54016 42085 55421 54952 56810 46811 83353 50535 18631 57852 37404 45025 30226 31073 35468 56379 38871 38588 99816 43980 46094 32889 33277 37608 41782 52591 54135 54347 56599 53458 53524 54317 55909 55203 55349 55161 53231 56048 FA 22:1 19512 10230 15666 23702 10364 14794 14776 14282 14807 10742 18776 17030 18271 12180 35797 32037 24808 18025 12847 21856 25807 14699 14884 17338 28430 14362 15875 12177 33054 22721 23769 30563 32023 20243 28937 14143 10924 12820 31652 14127 26611 11202 17640 17568 29663 52962 28049 19610 23719 33886 30744 24774 52693 41845 20472 14590 21053 23014 27515 15609 26483 32115 9429 13210 10874 13050 15410 18620 29891 15914 22733 13183 22827 13098 17708 8674 19478 20854 29653 16982 21903 20547 20973 19872 21101 21054 22110 22002 20129 21507 21363 21861 FA 22:4 103318 70575 53555 84538 48321 42610 44425 43531 81383 48967 122584 118746 56286 50326 51370 43908 77460 66202 41389 47958 171266 45069 41203 41301 30108 18005 24957 40002 41524 30040 41835 29972 45174 91481 90008 58693 60162 53898 86655 55956 54783 26783 54164 110451 47698 195590 40494 50212 91752 66141 74847 41525 59293 87380 138445 74078 49232 46743 74646 54414 44203 40982 41179 42944 61836 55841 74273 59105 81548 35986 74818 58374 41860 78293 52749 25568 36092 65266 41463 82867 65741 62891 63709 63684 62252 64946 66111 66464 67489 66208 64886 67334 FA 22:5 117873 27321 78674 121118 25868 57933 60390 60487 120200 33671 109514 141609 70231 30320 93295 85240 59488 45253 57076 55545 207006 29134 38195 33265 49514 18335 23640 35391 27085 35778 47992 50766 29737 134456 85771 61889 45607 48595 130294 68711 57581 40366 73262 176088 96436 260318 77514 68333 84534 147558 73344 52527 114337 387002 102380 46834 42035 58390 109213 20530 43652 73627 49101 42892 60319 42238 93779 126529 97801 48244 174705 28786 48572 60698 60116 36853 95233 104493 93207 49445 80071 79975 82529 75985 79186 79268 82906 82606 80129 80475 80700 79665 FA 22:6 579770 141541 480683 1010862 133303 347403 467100 442579 650675 166215 536109 563263 451413 164624 813016 656238 479222 292632 429951 393794 1070131 289662 323662 271444 424603 202030 205544 175730 297416 425463 473993 454804 174065 690964 513764 425312 246348 311396 726553 332071 405465 302642 480494 1251870 759174 1385196 771529 461598 897328 975860 293513 408349 1198922 1698194 640846 254848 375786 453041 776731 183814 370744 713062 352863 296082 361541 364315 619781 833182 542599 348581 999531 201279 342398 436129 453167 497243 459452 786476 818450 233758 510138 520361 537871 510429 503381 530405 523682 523383 522030 527499 534815 530226 FA 23:0 118837 48302 60709 88155 78526 245209 40988 41306 54261 21495 50714 46314 84775 73336 47870 28660 53870 57759 48055 44114 44337 96515 67580 183914 60271 62041 39342 42610 34525 58355 46074 63033 62703 93196 37825 16067 36873 52896 68994 53292 30496 49863 28477 59837 43099 96266 53840 15412 87252 80449 39840 57978 65179 68299 38451 50642 38071 114505 24664 37274 45679 32911 21864 119640 30892 52466 30363 29515 49135 62285 34782 66762 79502 50104 86898 24215 38034 48279 34961 81173 62641 55318 58339 55050 60069 63746 61936 60073 59283 57816 58961 57718 FA 24:0 222970 77573 58858 76699 73236 83577 73270 75196 88381 45886 73083 69804 72695 60303 65933 70516 73637 54462 65444 74021 112818 88866 69611 83885 76714 66853 66275 59285 69765 93292 107758 70032 96710 71746 82617 75907 54029 74379 80841 62864 79330 70886 67596 113637 79719 90549 83401 81732 76542 78472 80704 55464 87037 85116 76817 71348 83392 73427 79043 61784 80723 74469 33899 88138 59818 64898 51426 50969 65444 87241 61447 67849 136254 71001 67350 50264 55678 58119 82025 92811 78480 78574 84599 74313 78380 78042 82501 82953 80424 81811 78942 84002 FA 24:1 75340 53844 65692 106250 64921 72550 81122 84769 71762 40336 71873 87531 79350 50803 102411 111500 87234 63989 61670 71042 105856 63698 67175 80256 107782 76070 77535 55837 117237 108247 96543 112872 71859 75367 108660 66916 57953 71834 93628 75724 78415 66423 80401 82029 112703 174812 126110 90180 104353 115753 122078 96019 165480 140898 106039 63085 99928 82525 111297 69909 105727 140095 31306 51688 48392 66197 68973 79353 85508 59629 109666 54936 81910 78706 77359 54508 81198 129248 128166 65900 93225 86338 88380 83469 93251 92987 92456 87872 92876 91398 88592 89253 FA 25:0 101509 109406 59741 101897 98366 151696 65481 64550 91911 26674 66681 62667 127187 82181 95682 30269 89690 60560 34121 75092 47591 83694 57166 341527 48586 63692 59973 65579 43695 62643 53188 52535 48199 70851 59216 31746 69484 78131 65092 82357 50784 59066 28632 115047 37396 68416 63184 34628 86275 105621 35523 87295 75868 60992 57528 75999 76599 100993 25422 25721 89643 34521 31928 109927 39672 59831 59446 37978 46030 80808 46391 72397 84797 68704 89038 37411 49326 52389 34866 94587 68223 67793 73216 67405 70231 70094 70101 70918 66537 70272 71125 73485 FA 26:0 118635 127536 93863 144447 148336 194484 85025 87123 131048 55869 90454 89209 204339 119513 137400 81776 131390 92417 52389 113063 67933 117560 75187 450931 64895 100730 86023 112224 65076 97714 80219 67474 68945 98804 106757 66517 113700 115597 77745 108994 77733 83683 73630 134306 65230 81449 104642 51417 99615 141905 54850 114570 112887 77943 86258 95971 147041 143841 38356 50120 144913 83261 42554 144089 58190 87207 75729 80966 55729 113864 68598 84022 125693 87981 127158 54946 61771 80696 91959 108122 100751 102052 105201 101934 102344 100746 104668 101732 100869 102994 103305 104282 FAHFA16:0_FA(18:2) 458021 151496 380947 512269 441251 554345 252383 247664 186275 120784 280979 229063 489201 337643 162958 122960 310717 339223 228784 173305 259368 707369 430126 574736 221105 335714 165748 315942 226170 300208 377419 229089 301938 379915 177552 81626 219690 338247 330778 441900 232966 327310 150495 252149 116880 348434 195144 52765 254783 317354 192092 176574 315098 214861 218482 383050 164476 899226 80456 364471 411790 134632 158057 749704 130762 139589 136835 83017 26050 330178 52406 532381 210607 254537 131150 159368 95097 194530 66167 526632 283626 253415 262295 256308 271514 279292 279801 285650 277969 275499 272980 267017 FAHFA18:0_FA(20:2) 3599 1806 1444 5831 808 1709 1588 1850 6737 970 5483 5681 4431 1038 1832 6280 2931 3427 2626 4980 7417 2635 1996 2276 2835 422 816 1413 3532 1741 6072 2822 2329 9539 4216 2763 1379 3215 7190 2787 2692 368 2076 4734 7287 14346 4281 10163 6957 7754 8002 4396 10206 9891 5332 3247 3387 4951 13143 2120 6278 5924 983 1424 1527 2921 1975 2738 3470 2428 4690 1176 2443 2128 3139 680 2030 1585 3322 4905 4277 4597 4358 3264 3813 3945 4194 4144 4169 3911 3880 4404 FAHFA18:1_FA(18:0) 1992813 601929 817679 1463301 278323 501731 797135 866695 2414859 373034 2078668 2120229 1185771 353291 1019207 2474421 842018 1260503 704168 1708167 1333742 427499 724684 790507 1427738 94494 213536 382699 1145104 800011 1145207 1519450 462213 2332020 947162 892219 711059 534526 1411628 463564 1209090 134451 872902 1360537 2372685 3634004 2159642 1924826 2355268 2354734 2136222 1354212 3646239 2595762 2148113 965472 1292072 1555215 3942045 865825 1501715 3180324 447019 212789 402055 832045 1280858 1176103 2127947 1904023 1774026 464818 1067883 898920 1048896 108373 1117135 1285737 1336965 1869222 1378996 1283365 1334000 1289577 1388950 1398979 1385208 1341317 1359914 1377131 1329370 1316842 FAHFA18:1_FA(20:3) 134753 37713 50430 91496 17102 30010 49517 51325 165329 23876 134063 146736 72040 22334 63548 170646 51348 78138 43908 102480 83764 27170 43884 45259 91663 6543 13903 23197 71501 50322 71317 92596 27590 152503 58257 55893 42400 33431 83517 29418 71183 8429 55240 84214 158967 241013 145680 116985 159016 161776 138473 84888 252096 172289 143761 56565 80463 88846 284441 52630 95437 209272 27892 13488 23347 47812 82828 75952 144955 119419 105417 27730 68539 56247 61705 7906 70345 80551 76834 121851 83949 80190 87203 81414 78755 81434 85676 85400 86664 86821 84644 86885 FAHFA18:2_FA(20:4) 36464 7582 7160 11256 4006 4264 6142 7103 28555 7898 21125 16638 7745 3657 7809 33638 9442 16803 3717 17906 13281 7226 10460 8862 13376 893 1518 4576 6990 6854 19806 13704 4250 30780 8012 4611 6598 4375 11951 3115 7778 1268 5955 28944 21900 37755 16983 16285 38504 31323 26087 18921 36898 36956 27936 15801 23120 24508 41783 5084 17608 19646 4870 6525 4068 5478 9218 5540 31756 28133 13452 4996 7552 10002 9408 914 8613 10163 7882 39511 14192 12634 14141 13596 12070 12954 12861 13682 12983 13384 13444 13327 FAHFA18:2_FA(22:3) 55 106 497 4467 2689 234 953 623 775 229 1023 244 300 305 1432 703 1107 285 630 3755 1303 6665 2896 250 1234 680 2432 2657 535 926 333 153 669 3053 146 433 712 1042 323 1550 60 563 1686 709 4403 2114 2279 1941 771 1630 185 952 1211 2494 1764 3440 1912 1667 2792 3452 668 310 1951 1262 431 65 230 427 1506 1521 233 938 52 167 113 988 588 915 1150 1167 679 800 1033 924 1620 1024 1498 1185 836 1401 HexCer(d18:1/16:0) 13642 18791 11673 16419 28192 20300 15892 15415 12276 14609 21023 19243 17101 22203 22123 12188 15204 13466 18136 20597 17071 22156 14003 17763 14840 19539 19893 26399 23187 19770 26083 12583 23835 15863 19813 11373 17455 26110 20343 19272 18856 25021 18630 14289 26463 23302 18116 12522 28060 23985 29379 21092 20671 19015 27951 16266 34957 16881 19985 14857 15140 17563 5031 18646 12446 12192 8662 9524 15851 14009 22547 15262 21122 27421 21996 14037 15827 21613 17366 19560 19137 17397 18397 17148 18951 17403 18443 19164 19185 20056 19206 19013 HexCer(d18:1/22:0) 19827 22193 12181 18841 22531 22048 12377 12643 11029 10903 25138 22927 14538 16438 18842 9902 17624 14643 16561 16599 11560 13222 14374 15815 14343 14407 12283 17113 16625 16260 25189 14119 18302 14230 14069 13200 15183 21555 19445 16989 16370 19259 11732 15623 18629 12829 14923 9423 18093 17924 15762 19199 15456 12856 17269 15103 29691 15605 17798 10677 10062 12344 6826 14558 10051 12039 8460 10782 13398 9502 19020 11005 12729 18845 15302 8569 8392 16273 15457 16508 16011 14433 15519 14728 16267 16790 17224 16615 16108 15771 15664 16616 HexCer(d18:1/23:0) 8370 8104 6124 9204 10908 13983 8472 8687 5703 5706 11996 13409 9646 8347 12663 5360 8084 6562 10450 8508 5111 7095 6817 7496 7950 9023 5892 10881 9943 8237 11300 6751 9363 8581 8061 7995 7459 11218 10649 10570 9199 10575 8591 6930 13912 5914 11016 4688 10057 10900 7854 9553 8286 7990 9387 8089 14077 7368 8134 4495 5131 9211 2801 6037 6000 6132 4989 5938 7351 5181 13985 4630 5726 7417 7642 4508 5164 9842 9850 7656 8831 8530 8592 8559 8578 8657 9658 8798 8673 8960 8347 8374 HexCer(d18:1/24:0) 20098 21096 13885 23202 24604 25736 14382 15192 11267 9972 28246 22137 16660 14803 20452 10543 13843 14811 15849 18202 13586 17154 13208 17845 16276 16090 10938 16617 19139 18216 24850 15314 20154 16613 15376 15939 15955 23466 22926 20918 14470 23489 14353 15656 19617 13132 16775 9650 20664 20086 12486 17618 18022 14000 18683 14544 27515 15171 15951 11852 9613 13895 6607 12254 9515 10628 9011 11522 16339 8436 23758 10597 9577 21589 13095 8301 8988 16669 16795 15611 16922 16518 17310 16379 17483 17123 17485 17172 17830 17434 17283 17827 HexCer(d20:2/22:0) 34528 38302 24471 41206 50499 47427 37965 37738 26952 32517 51246 47087 38338 44913 49237 30295 32559 27098 38427 42538 30826 35477 28846 35245 35764 39799 39492 37460 39837 46160 64596 32499 53532 38054 36959 35797 36298 48919 40448 42283 33072 61279 32468 33722 50674 33634 48892 18852 50560 44352 36966 56833 50049 39169 48194 29910 59757 30254 37549 25373 22328 54087 14611 23118 24536 25776 22518 29780 42477 23043 61028 20303 36147 60902 43967 21008 32111 62094 44080 37748 38001 33883 39900 37117 38631 38703 41381 39246 39545 39155 38587 39925 LPC(O-16:0/0:0) 4543 3858 6368 8422 8595 7785 5509 6212 6007 4931 5154 5470 5282 3517 4061 8003 8356 6531 4577 4331 5228 12050 7871 8020 5963 10170 9016 4694 6520 5837 11350 5970 4845 6193 12432 2992 3332 4313 6136 6327 4507 9054 5615 5644 8581 8498 7727 6007 8219 10139 12646 8531 7913 9770 10719 7408 8087 6830 8360 4580 10491 6659 3193 4346 4804 4162 3354 8224 5010 3766 7466 4421 6132 6166 4746 5669 3477 5154 4239 5535 6603 6428 6960 6533 6978 6748 7319 6367 6445 7198 7474 6737 LPC(O-16:1/0:0) 4654 5078 5514 7965 5556 8520 7110 6799 7996 5329 4426 6066 6563 4494 4996 7747 7876 5627 5452 4020 3807 10385 9133 8652 7217 8074 7148 4187 8252 8224 8799 7415 4488 6155 10408 3469 3161 3990 6708 6554 5662 7050 5735 4997 7658 10029 7202 5432 9321 11830 10924 6584 8317 9343 8329 6714 8242 6914 6547 5400 7930 6332 3130 3764 5591 4926 3711 7963 4733 4148 6842 3755 4204 5664 5633 6450 3820 3418 4325 6483 6839 6318 7822 6718 5602 6725 6577 6763 6588 6834 6837 7030 LPC(O-18:1/0:0) 3446 3759 4347 6135 4956 5058 5655 5176 4445 2447 4177 4386 5494 3735 3761 9707 8626 4454 3924 4309 2835 8794 8395 10313 7076 9036 6584 3005 6035 6543 8790 6940 2922 4575 11051 2130 1728 4018 5305 3920 4215 6321 4923 4669 7386 6434 6104 5687 6899 8716 8892 7655 8212 8807 8096 8268 8640 5797 7467 6646 8179 8678 3277 2859 3062 4045 3080 5293 4511 5198 5593 3495 4852 4932 5729 5149 3658 6169 4242 7421 5657 6182 5994 6133 6577 5429 5684 6059 5237 6536 5462 5876 LPE (0:0/20:4) 1235 1995 779 2371 2536 1965 2245 1706 1735 2108 2416 2357 2736 1634 956 986 1096 677 1589 770 3205 2352 3080 1776 962 1735 1953 1742 1450 1453 2928 1261 1588 1324 1849 1142 718 1249 3527 1812 2029 2396 1783 2303 996 3160 1264 768 1785 1155 1987 1570 705 2153 2759 918 1480 1816 1264 2019 1574 1164 861 914 1316 1377 1170 1445 1015 703 1662 1646 855 1598 1251 406 310 884 766 2370 1394 1579 2067 1562 1505 1866 1683 2000 1670 1838 1837 2063 LPE(O-16:1/0:0) 2146 1424 2544 4988 1768 3239 2973 1719 3445 2585 1276 2232 2797 1897 2925 4416 3993 2395 2567 1047 2940 3837 3156 3303 1584 3482 2914 3143 3164 2910 4955 2132 1453 2480 6573 2216 1025 1723 2152 4506 1903 3859 3985 2887 3826 3043 4652 2070 4177 3560 6032 2455 2378 3831 3144 3152 2595 2347 2998 1958 5503 1806 1161 1953 1900 1363 1251 3546 1911 1352 2026 1364 1836 3895 1650 1793 2508 1738 1836 1852 2175 3735 3730 3884 2492 2520 3038 2489 3091 3338 3645 3716 LPE(O-18:2/0:0) 1022 847 1647 3034 971 2000 1177 920 1714 1222 607 840 1554 928 2259 4656 2790 823 1048 311 1471 3389 2550 2382 1074 1324 2037 875 1977 2292 3603 1276 436 1427 3823 1416 580 740 1059 3013 588 1842 2732 1665 2893 1151 3092 829 2846 2322 3382 1036 1554 2347 1502 1109 1994 1153 1656 976 3072 1383 840 539 765 477 750 2593 708 393 1008 890 1264 1411 1361 681 1675 964 1916 1496 1087 2190 2466 2470 1032 1158 1658 1758 1842 1648 2032 1896 LPI(0:0/18:0) 5802 5359 5938 8155 6884 7667 7971 6911 5968 6462 4511 5768 5484 6238 4616 6618 6379 5171 6513 4889 5817 8660 7963 7411 6793 6586 5587 6247 7049 6477 7784 6259 5187 5889 8609 5097 3699 5824 6375 7332 6128 6356 8061 6644 7122 7380 7599 6026 6537 6199 6831 5311 6151 7191 7969 6126 7749 5500 6293 7621 9025 6072 3949 5240 5665 6452 4655 5005 5470 5475 5698 5744 4809 7247 5435 5339 4447 5500 5392 7516 5396 7367 7246 7711 5533 6292 7033 6266 6929 6882 6974 6915 LPI(18:0/0:0) 10652 8717 11820 20658 13377 20805 18283 10333 13394 20238 6146 12229 12301 17312 11714 10522 9347 7510 15858 8969 13878 21997 15557 10226 7831 11781 9462 18052 14438 13679 11366 6618 10821 9522 16357 13669 5942 11782 11953 20243 10723 12644 18282 15752 14121 8713 19945 7922 10709 9004 10993 6183 11941 10813 18079 9064 12721 8998 11754 18224 19527 8451 3620 7637 7041 6709 6753 6322 8272 7886 8182 10277 7608 15801 8778 6783 8436 7964 8924 15050 8499 18470 19679 19548 8540 10729 12988 13636 13935 14996 16960 18927 LPI(18:1/0:0) 13433 6773 8135 10287 5606 12824 9284 6788 6346 5151 5005 4535 11324 6904 9674 6172 4435 2576 9223 5920 6235 13791 7763 11859 4210 6431 4378 10810 10639 11255 7282 3720 5861 5997 6408 9964 4299 7997 7944 9569 10336 7706 10941 9109 8480 5204 7088 7740 5007 4677 4298 1490 4296 6443 3401 4289 3942 3049 6061 8015 10167 6685 1081 7291 5243 5640 3333 5107 5176 8010 4531 10134 11280 5366 8564 5422 4893 3243 4770 7321 6090 7924 9557 8402 5942 6490 7882 7444 6893 7550 7949 8211 LPI(18:2/0:0) 23324 6952 9655 12135 8426 13797 10017 7249 10361 9499 6781 5017 9567 9972 8945 6344 5609 4442 6890 7037 7966 21532 14833 15212 4927 5832 4350 11630 9322 8111 9250 5119 6768 6804 7297 5388 4354 6108 10441 9093 13016 9180 10931 14579 7578 8715 7323 6899 7876 4759 6768 3729 5434 7857 6859 6977 8200 8873 7947 7483 18556 3727 2650 13910 6360 5923 2801 5303 6346 10715 3802 13023 9299 6567 6463 7092 4551 4583 4938 7363 7053 10162 10867 10982 7181 8024 9430 8551 8657 9039 9926 10140 LPI(20:3/0:0) 3953 3477 6385 5070 5589 6803 4177 2819 4193 5574 3110 3195 6706 4947 3336 2517 3174 2698 3883 4082 5757 3548 4796 6426 2392 2646 3999 5281 5304 3375 3307 2021 2823 3310 4735 5418 3079 3102 3076 3689 4132 3378 3856 4967 2273 4422 3590 6904 2920 2858 5323 1080 2733 2627 4269 4494 3088 4567 3677 4628 6610 2697 1825 3600 4682 2578 2057 1250 1861 7180 1331 3779 2511 4129 1654 2359 1445 1946 2115 3569 3798 4367 5471 4887 2929 3240 4741 3796 4465 4803 4331 4901 LPI(20:4/0:0) 25872 19295 19453 32004 19449 34872 21928 14750 23032 24770 14484 21130 27971 25136 19983 11658 17578 12654 17996 14182 39310 25227 31165 26546 10889 15631 15778 17977 20202 15670 20161 10426 16574 15117 20171 18326 11253 13967 20216 19394 22494 15180 29106 33938 15290 21929 18516 16818 16486 15421 14985 10150 14439 23212 21596 16176 16206 14145 18475 18618 30522 12215 9329 14393 14751 13271 12957 12378 13312 18861 11654 19355 16415 22970 15694 11162 10360 11714 12843 20251 13920 23749 26107 26243 16175 18709 18845 19301 20431 22143 21861 25459 PC 33:3 7634 7310 4658 2356 13776 5518 7174 7177 6876 5207 6897 1809 6501 3956 12656 8533 1797 1999 8763 4115 8980 17376 8906 8723 6694 5498 3163 13816 22298 8732 12176 6306 6824 5449 8757 6794 1634 7965 10360 9559 6383 8988 8848 6029 5266 5624 6164 7005 6635 1726 6781 704 1405 1716 1258 1616 7844 5541 2241 9294 9321 6904 281 4087 2551 7539 1807 1814 9052 7776 2959 6510 11507 2520 3689 2859 5410 1710 7581 7610 6298 6384 5937 5311 6158 6562 7330 6308 6121 7228 7012 6591 PC 37:6 2780 1410 6840 31571 10119 3963 10881 12007 9747 16803 5544 5007 6844 3112 12904 8155 3414 8684 16583 7728 39437 12296 20264 5912 12405 16407 7012 15968 26327 6097 5608 12491 6168 12850 18897 12387 5488 5456 14830 13170 14627 9908 19203 12077 6969 24795 18274 9023 24648 8742 4991 5059 14599 15719 3773 1589 17010 18702 4157 12955 26255 10852 1003 3088 13292 16950 8985 4601 6723 5360 12650 8889 6697 7607 7403 4165 10457 7742 20490 3249 12882 10555 11087 10527 12713 12355 12413 12312 12255 11559 12404 11219 PC(O-16:1/18:1)/PC(P-16:0/18:1) 11047 8427 11043 11828 16615 30636 20493 19673 18932 8830 15615 10906 26040 14876 26116 12504 10190 8047 18380 11129 6836 15450 16805 12104 18287 16322 10095 12985 24587 19487 16447 18110 9086 16872 20494 16413 9409 13351 14694 27340 16019 22174 23229 7105 14811 18935 25369 8896 16960 26551 22862 12087 27011 16701 10106 8791 13949 16508 15014 14762 8645 21559 628 6576 8723 12780 5875 16120 18292 15222 27422 4880 20834 8147 21277 11886 17312 5893 23878 21723 15446 14905 16032 15350 16519 16172 17905 16179 17286 17292 15437 17116 PC O-37:9/PC P-37:8 9245 9777 11892 20966 13711 13498 10576 11058 23551 11561 6182 7001 16786 7341 21343 18016 13356 13968 10687 5271 15198 19640 17760 16654 5883 13133 10857 17019 18595 10496 27278 6371 7991 19268 13194 14067 13636 9394 13725 20691 12447 21443 18607 12708 19726 11683 15185 7529 20273 16094 28237 8187 14848 11670 10818 12921 8176 12210 10033 4522 25302 5573 5637 10418 13898 8485 5068 21560 8106 6138 22805 7384 13541 9555 16022 7107 10469 5535 21744 11251 13927 13449 12438 12338 14424 13815 14170 15429 12986 13037 13621 14654 PE(16:0/22:5) 1845 4835 4868 7633 14583 1841 7186 7015 5014 8616 5401 2261 4346 2789 8344 9638 4549 7098 9959 2595 20542 16007 12517 7154 7580 14059 7351 8403 31981 7540 4263 8308 5428 7190 15599 12431 3509 4199 10390 10947 6901 7274 14336 4459 6182 14476 7796 8501 7648 3824 6166 3566 4393 5579 3227 1101 6478 7992 1703 22413 11776 3504 3078 1484 5002 14082 4260 7152 3930 2284 6342 5181 6771 3833 3430 692 7596 3060 11247 12397 8145 6725 7264 7228 7938 8343 7985 8391 7942 8576 7656 8848 PE(18:0/20:3) 253 1296 1985 5183 8290 897 1734 2333 2195 8174 994 997 1461 1209 1826 1005 1028 2283 3993 1609 7056 4427 6069 1778 1266 3151 3902 10153 9923 1540 1311 926 2254 2237 7404 4855 1445 2303 1716 4286 3240 2557 2967 1277 816 6113 1718 5145 3747 949 3926 207 1579 894 1316 1383 3733 7041 1229 5989 8185 1129 119 899 5037 2925 594 600 971 3118 1154 1871 1107 1475 384 268 1012 971 3155 1767 3606 2387 3125 2851 2351 2560 3086 2413 2772 2352 2756 2182 PE(18:0/20:4) 13554 23713 23953 59395 70762 14932 33383 35053 36828 57453 28814 23828 26048 21997 37533 38497 29127 47895 42944 19993 107666 57051 80431 33333 33772 48331 41935 48788 90059 25082 27483 34417 36649 37192 74221 34413 27882 24108 48405 54010 47330 34859 64458 31533 22757 73843 30922 47791 52296 27676 34642 22763 29905 27057 25612 15855 41657 57931 14732 64857 60709 22734 18196 14255 36240 54520 26264 28816 24908 15573 32735 37023 29988 28086 26393 7709 26871 20377 43357 43602 41894 35356 37795 38004 40647 40097 41287 41103 39986 41650 39342 39539 PE(18:0/22:6) 2780 1410 6787 31520 10119 3963 10881 11980 9747 16803 5463 4928 6844 3112 12904 8096 3414 8684 16583 7728 39437 12239 20207 5912 12405 16407 7012 15968 26266 6097 5608 12491 6168 12850 18790 12326 5488 5456 14708 13170 14627 9908 19203 12077 6905 24795 18274 9023 24591 8742 4991 5059 14599 15719 3773 1589 17010 18702 4157 12955 26255 10852 1003 3088 13292 16950 8935 4601 6723 5306 12650 8889 6697 7607 7403 4165 10457 7742 20490 3199 12839 10555 11087 10527 12713 12355 12413 12312 12204 11559 12404 11219 PE(18:1/18:2) 7634 7310 4687 2356 13712 5518 7174 7110 6876 5063 6864 1864 6501 3895 12628 8533 1797 1993 8688 4115 8980 17213 8906 8656 6694 5430 3111 13589 21900 8678 12176 6306 6652 5449 8625 6760 1634 7780 10292 9433 6357 8991 8848 6029 5266 5551 6111 6976 6635 1726 6755 704 1377 1743 1200 1616 7772 5541 2241 9110 9246 6904 254 4087 2551 7512 1807 1814 8992 7649 2959 6510 11358 2520 3661 2859 5227 1710 7480 7610 6155 6384 5995 5248 6158 6562 7301 6211 6068 7191 7012 6556 PI(16:0/16:1) 2781 736 7209 30849 6831 4329 5477 4770 2948 9952 4928 1943 7686 2264 2551 1142 1015 2176 5834 1573 5733 2705 8484 1813 1843 4647 1139 19515 5850 1926 4396 1838 2406 2471 10590 5040 3623 4724 4445 11190 9934 5526 3626 2559 3667 33450 8526 10076 3599 2316 10200 2222 5688 3271 7812 2789 4332 5101 6168 12180 11619 5827 72 3367 17184 5591 1679 1125 1520 7184 4095 13384 1804 3207 2203 1855 1142 3355 5064 1667 5592 5696 6000 5330 5895 6317 6358 6335 5954 6184 5916 5468 PI(16:0/18:1) 49695 27061 62988 144182 89105 79298 85136 88733 55733 58253 52002 35180 73048 45078 63611 42055 27023 26103 91328 43741 44386 86390 77376 62587 50324 70578 37434 112320 120486 69336 65642 48365 48383 55599 85584 62353 39787 80622 74044 96408 75368 70036 73714 48283 79455 109479 84664 71573 48033 45113 83182 29509 75404 49382 53732 38744 54552 51969 68723 116023 89670 83108 8233 44342 73956 70361 26680 32933 52538 55642 50389 86237 55650 45282 65658 37759 40867 41303 89160 60898 66210 60357 66375 61802 65535 64927 68149 67503 66297 67699 64005 65728 PI(16:0/18:2) 48231 21267 44410 105453 87628 47458 57702 58041 46507 45513 44082 23327 33418 34394 37962 29063 23294 25209 46983 34483 23428 90195 97342 57268 34889 43249 18449 90350 79766 41617 50958 33490 38193 37532 51552 27230 33509 47506 65111 51874 67902 56351 50615 47166 41150 84893 67092 54437 43267 32416 65969 28959 53852 36676 57450 36979 61569 59073 78174 60182 96386 42224 7630 58821 61878 42229 14243 18963 30938 50259 24443 70632 35023 37238 31352 32029 25728 27917 56310 44173 49015 44779 48212 45655 48802 49437 50657 50222 50146 49362 46670 47625 PI(16:0/20:3) 39160 23014 22324 17014 32357 33728 28276 28641 28235 7464 20749 10877 13557 16794 26790 22199 13091 8486 32289 20607 11896 76087 39452 54687 20052 20556 7788 25952 46334 36032 34053 20755 19821 22152 16676 12182 14829 25155 40170 15814 18086 44548 33648 30495 25563 16382 33791 16025 25424 17402 22805 7256 20522 18238 25174 16723 28815 16588 32035 30350 28938 23288 2905 29422 13581 26369 7088 10108 31043 18847 15043 19792 27679 16373 14612 28141 17220 12887 33452 34921 24661 22895 23490 20700 24614 23803 24769 26275 24285 24288 23826 24184 PI(16:0/20:4) 45621 40094 60080 168318 92476 72341 66122 67175 56277 68306 57449 43600 58807 41959 58770 30254 35292 39125 58165 37394 57945 71897 136479 53765 42369 71517 32900 83222 90812 43031 66974 40192 69802 49795 76620 65279 48611 53215 72025 50422 77423 61647 72386 61914 49056 135109 91651 89001 48618 51906 92649 30575 66596 58403 99517 44977 58138 48542 99891 111494 86729 58140 13247 39517 114535 56969 31478 30292 37048 57817 41608 60066 41961 62649 40899 31054 32585 41646 78543 62733 64075 58188 64000 57689 64780 63088 68162 66912 63132 65256 62498 63590 PI(16:0/22:5) 19164 20192 24531 31995 26430 28039 29679 30263 23042 13390 21728 15409 19156 16498 24856 26304 16631 14446 27452 21155 18130 35153 44068 35029 18225 30436 10111 26483 41162 29333 28194 18179 18841 19015 23794 22717 15954 21438 31653 19393 20929 29603 36370 23525 25604 25623 36594 28586 18031 20646 27519 12502 25546 26124 25917 13678 19073 15583 30091 32532 25588 29647 8144 13053 28165 27179 12610 15847 21105 18508 22079 15915 20796 19693 17085 16251 18288 15970 42898 32311 24559 22515 23415 23043 25895 23879 25548 24747 23889 25142 22291 24325 PI(16:0/22:6) 10058 2642 12324 26362 11356 19225 21232 20846 11322 5371 9121 5168 9327 4559 9100 8711 5708 3980 19328 10099 7161 15214 17005 9420 12906 18411 4360 7230 22031 12502 17113 12064 7757 9389 10541 11223 5254 10236 15640 12308 15955 18175 17527 15725 15748 19158 24066 10958 10441 9524 8045 8335 26354 19700 10946 3524 8544 8261 14325 10932 13802 19937 865 7100 14098 10546 6928 9298 10851 7258 12008 8597 12037 8454 13017 10658 9958 9273 26468 6460 13113 11507 12174 11132 11818 12689 12622 12921 11881 12697 12023 11354 PI(18:0/18:1) 124838 135794 199185 261493 263883 172099 205442 205177 162089 204428 151999 130395 192834 140470 135988 100064 94064 136741 232163 128640 153868 189511 220692 185816 113750 183787 141659 260876 297991 180468 153362 111209 149578 177080 206251 190918 141761 194550 150689 190707 182632 202917 178226 133144 138767 242665 174623 249850 166976 162151 254835 76175 185537 125334 224993 161543 178251 234533 173460 281420 237793 183965 45609 156551 232857 219114 91949 82728 123312 187992 122758 177670 129085 153717 140304 116471 104366 104184 191132 177110 178081 166124 175037 164577 179147 181006 183366 180377 173124 177759 170574 177967 PI(18:0/18:2) 157383 74431 123761 209781 239758 135473 191793 196981 172599 102590 111372 83058 86270 112544 139916 121148 72914 85555 171949 132678 83619 285444 262478 193465 116125 123292 65901 227422 275179 135666 151517 106586 110621 127313 156503 83786 111354 161969 179778 163589 132087 175771 169124 137774 143586 162703 201700 117933 139766 118712 177752 75506 191179 111086 135675 107968 185056 238627 202086 204723 220372 132813 25182 157483 96423 161281 38245 51417 124307 122041 97784 140328 121848 101792 122243 98217 89071 89894 199502 164324 149696 134427 145685 134324 142813 145617 150853 151891 147577 148244 144432 144406 PI(18:0/20:3) 77954 77409 114864 138069 125355 95353 103729 106550 95755 95021 89493 87563 95652 86314 73717 79651 75141 94109 114964 97803 120857 90236 117960 117576 84522 99826 85948 108902 134612 89771 84197 82163 91058 92909 100988 119500 95675 98691 91482 82381 86892 98736 103939 92257 81220 115183 116566 133438 93010 101198 132563 61004 123599 93671 117926 100453 101960 136722 105538 127741 110886 103400 47316 75838 107058 111815 72481 70420 85586 103497 87130 74977 75185 89602 79201 66227 70922 67916 131030 114485 103262 96730 99472 94665 101453 99756 106833 106388 100902 103653 98214 99123 PI(18:0/20:4) 325417 344545 438250 945969 674740 517979 606110 612275 593337 410799 406622 487463 430248 424880 482400 365277 369684 471556 607776 406613 706384 530236 917765 602095 433625 493053 361988 501636 754101 399120 554436 426169 530226 438862 516913 430166 501149 451909 625072 386499 469910 426311 664328 613457 440080 630730 738120 499798 441825 522101 525125 285203 751590 550537 584014 464915 543891 563570 638269 671051 626578 540759 168932 275142 398925 596341 269495 239102 439510 334502 527115 330645 401293 483952 512491 231272 279619 345794 734379 700640 539740 483060 505292 474878 513803 502536 533496 527975 517501 525787 465894 504756 PI(18:0/22:5) 8025 5747 9346 11779 13165 18236 13870 13821 12153 10156 10108 10129 11840 8849 12627 9321 11756 7260 17320 9524 10386 10486 13341 8970 9249 14903 8283 14995 14246 7685 10490 8651 9431 11234 14293 9129 8050 9042 14352 11510 12926 14236 15883 8980 14852 14134 16779 9997 14233 14278 16202 7367 12354 18905 12110 9409 12976 11871 10547 10942 12852 12567 1472 9736 13979 9810 8101 8089 8441 11286 17470 8659 9679 9300 11669 10586 8306 6749 16585 13952 11781 11485 12152 11061 12067 12206 12158 11518 11567 11550 11876 11848 PI(18:0/22:6) 24944 7516 31734 62401 20541 36060 54507 54792 30229 14946 18045 14793 21913 11695 25027 25197 11710 11430 43845 22621 20579 25016 32905 15182 29275 33183 12251 17872 42153 26374 33806 27940 19820 25546 23216 25545 17549 17616 30846 29926 25017 34463 36091 30480 37745 38348 56679 21488 26831 29656 16672 20394 67748 43258 23401 9947 23337 28813 30672 28051 33083 48654 4824 14826 23848 27593 16455 19407 28868 15595 34872 14214 27908 18624 32810 27319 20523 24149 66130 15142 29586 25675 27535 26489 28584 28907 28737 29030 28476 28842 27434 27999 PI(18:1/18:1) 158793 75680 124874 210928 240705 136834 193763 199297 174435 103353 112809 83976 87133 113787 141883 123840 73528 86183 174376 134115 84557 288094 264472 195700 117345 125062 66550 228837 277027 137365 153008 107935 112158 128923 158258 84837 112336 164062 181640 165471 133693 177937 171980 138976 145710 163703 203320 119274 141192 120108 179791 75931 192109 112502 136526 108749 186169 239475 203862 206882 221895 135412 25244 158776 97305 163550 38632 52300 125655 123467 98654 141772 123873 103089 123723 99406 90309 90460 201607 166352 151337 136151 147740 136044 144398 147515 152208 153436 149160 149837 145690 146062 PI(18:1/18:2) 39460 23014 22547 17014 32357 33728 28221 28641 28201 7464 20682 10877 13682 16956 26735 22094 13051 8486 32677 20546 11903 76087 39306 54642 20052 20419 7951 26357 46305 36356 33994 20755 19770 22152 16889 12392 14933 25121 40084 15783 18052 44437 33609 30365 25836 16388 34059 16167 25676 17402 22805 7189 20495 18175 25375 16723 28765 16869 32201 30240 28909 23551 2905 29355 13524 26521 6942 10247 30992 19123 15131 20128 27679 16496 14612 28354 17195 12898 33316 35333 24863 22863 23629 20960 24614 23744 24705 26231 24449 24260 24023 24184 PI(18:1/20:4) 19658 20859 25057 32727 27533 29085 30741 31513 23690 14156 22193 15942 19826 17041 25377 26770 17127 15070 28504 21646 18599 35970 44992 35851 18871 31359 10646 27557 42325 30110 29119 18774 19796 19709 24858 23432 16434 22063 32980 20042 21507 30439 37368 24549 26386 26380 37516 29337 18361 21230 28902 12981 26389 26945 26803 13955 19623 16135 30852 33511 26421 30531 8170 13853 28919 28252 12976 16259 21645 19103 22659 16328 21568 20333 17816 16826 18833 16223 44042 33323 25350 23521 24238 23727 26710 24594 26287 26030 24677 26034 23026 25253 PS(18:1_21:2) 626 1925 1379 3880 5259 1210 2205 2991 2986 2760 1627 994 2688 1392 3391 2682 918 1208 2797 1388 8003 4181 3228 3407 1418 1748 1867 4822 6941 3183 4318 1160 3304 1923 4001 2574 1514 3147 3216 3646 3018 2225 3569 2267 1306 2303 1068 4417 2537 723 1169 176 256 650 282 706 3032 1901 927 3400 5412 3569 391 1150 1415 3639 825 875 2660 1821 1083 3863 3119 979 1704 276 1316 901 1806 2276 2637 2259 2453 2397 2706 2212 2379 2816 2560 2497 2407 2563 PS(18:2_21:2) 4226 5186 6785 10750 21835 10066 10894 9965 11202 17139 9080 5897 10421 7082 19229 8680 4219 5408 14964 8982 14557 17336 19855 10174 11227 11224 7155 27183 23952 9560 13510 9693 8523 11415 18358 7888 6727 12144 14760 18802 12843 10350 14266 7485 7056 14180 11935 11700 11872 7192 14973 3751 7696 5380 3514 3073 15794 14743 4462 9539 14462 8129 617 5687 8006 10745 3569 4637 8781 10014 9413 10043 9464 5137 6650 3757 8594 3773 13416 11022 10006 10158 10035 9943 10688 10109 11373 10586 10419 11165 9384 10796 PS(20:0_20:4) 178762 11857 141379 119010 39132 62663 97796 97760 95314 40774 32134 59362 71840 31996 92942 81775 33893 35323 80449 25054 166954 42969 47606 32542 78951 86338 36095 43959 66976 44535 43210 81617 24459 76660 85730 90957 28195 32879 94309 70232 133921 210283 162845 164309 38402 105787 139143 80508 63374 87402 40670 42949 118623 393641 59036 17451 24894 42002 48651 25176 57148 89720 27534 59065 83412 61726 63385 138861 86736 31317 229830 35329 90199 38313 157547 101116 137489 121595 253885 20599 90908 83151 86741 81326 88643 88539 91592 89088 90609 86729 85027 87713 PS(21:2_20:4) 7964 12636 11506 27627 34096 11037 17285 19727 21589 27049 15803 12691 16339 12659 20573 12006 14696 22292 23347 12548 46074 27822 36350 19871 17255 22833 19848 25798 41988 14268 14138 18565 18122 20079 33418 15566 15453 15224 24942 27887 25394 20431 31990 18230 13235 35142 17323 23651 23973 15318 18212 10242 16588 14966 12192 7691 23164 29232 10797 30278 28788 14090 7040 9905 17953 25591 11460 13295 14547 11503 18386 17255 16516 14973 16734 5978 12820 10654 23490 22563 21272 18810 19453 19404 19443 21518 20457 20633 19904 20630 19811 19870 PS(22:0_18:2) 349021 330207 341444 215225 410475 441256 366644 377412 366944 190473 346078 246829 385600 312187 552740 366717 225451 184732 451003 332805 257465 475691 528244 530039 374002 278434 192701 369848 491257 399270 333234 372004 286359 364371 293155 285781 252343 450163 410219 323069 276565 456948 426454 319609 371464 298080 451687 287404 320097 356494 357853 171708 307011 289581 237689 233803 370921 315301 325336 381549 268014 354719 105104 294636 178989 434376 193473 257285 403750 367121 353764 213840 422664 235380 359125 315516 403025 222980 519196 568804 353204 316385 332035 315547 354555 346639 354094 358259 354245 355220 343266 349005 PS(24:0_18:2) 81163 142500 186006 333688 296424 140153 175770 183385 188723 253524 182767 125277 196629 147075 80149 89972 135358 174526 178565 131137 247902 149977 340913 201613 81971 187663 173882 303946 201065 135359 119423 83206 167871 156516 204245 201993 159996 161718 125135 135658 223178 197892 146552 147977 77152 313360 120679 379902 184144 182675 318080 54290 211030 105711 330423 200282 176595 285602 258888 303873 281092 135594 50404 146785 372394 172829 93878 51032 94758 224376 87312 154974 96016 203957 79175 111794 72960 88834 182585 151298 180888 170877 175322 167240 184160 186389 187912 184697 182074 180707 178668 177481 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name mz RT Cer(d18:0_16:0) 598.5405 9.79 Cer(d18:0/22:0) 682.6332 12.33 Cer(d18:0/23:0) 696.6483 12.49 Cer(d18:0/24:0) 710.6646 12.64 Cer(d18:0/24:1) 708.6502 12.51 Cer(d18:0/25:0) 724.6804 12.81 Cer(d18:1/16:0) 596.5252 8.95 Cer(d18:1/16:1) 594.5094 7.42 Cer(d18:1/18:0) 624.5563 11.37 Cer(d18:1/20:0) 652.5866 11.94 Cer(d18:1/20:1) 650.5708 11.55 Cer(d18:1/22:0) 680.6190 12.22 Cer(d18:1/22:1) 678.6025 11.98 Cer(d18:1/23:0) 694.6344 12.36 Cer(d18:1/23:1) 692.6185 12.12 Cer(d18:1/24:1) 706.6348 12.21 Cer(d18:1/25:0) 722.6654 12.61 Cer(d18:1/25:1) 720.6480 12.3 Cer(d18:2/22:0) 678.6026 11.98 Cer(d18:2/23:0) 692.6186 12.12 Cer(d18:2/24:0) 706.6348 12.21 Cer(d20:1/24:0) 736.6811 12.83 DG(16:0_20:4_0:0) 675.5201 11.42 DG(18:2_18:3_0:0) 673.5042 9.43 FA 14:0 227.2020 2.92 FA 14:1 225.1859 2.26 FA 15:0 241.2173 3.22 FA 16:2 251.2017 2.57 FA 16:3 249.1861 2.19 FA 17:0 269.2487 4.2 FA 17:1 267.2330 3.54 FA 18:0 283.2651 4.57 FA 18:1 281.2495 3.95 FA 18:2 279.2338 3.39 FA 18:3 277.2174 2.87 FA 19:0 297.2797 4.83 FA 19:1 295.2642 4.32 FA 20:0 311.2955 5.45 FA 20:1 309.2800 4.67 FA 20:2 307.2643 4.15 FA 20:3 305.2485 3.67 FA 20:4 303.2331 3.29 FA 20:5 301.2172 2.79 FA 22:0 339.3268 6.67 FA 22:1 337.3112 5.53 FA 22:4 331.2641 3.94 FA 22:5 329.2487 3.47 FA 22:6 327.2332 3.12 FA 23:0 353.3424 6.63 FA 24:0 367.3579 8.43 FA 24:1 365.3423 6.73 FA 25:0 381.3737 8.34 FA 26:0 395.3893 9.48 FAHFA16:0_FA(18:2) 533.4578 3.9 FAHFA18:0_FA(20:2) 589.5171 4.57 FAHFA18:1_FA(18:0) 563.5051 3.95 FAHFA18:1_FA(20:3) 585.4863 3.95 FAHFA18:2_FA(20:4) 581.4542 3.38 FAHFA18:2_FA(22:3) 611.5043 11.55 HexCer(d18:1/16:0) 758.5772 7.39 HexCer(d18:1/22:0) 842.6707 11.94 HexCer(d18:1/23:0) 856.6863 12.07 HexCer(d18:1/24:0) 870.7015 12.19 HexCer(d20:2/22:0) 868.6856 11.95 LPC(O-16:0/0:0) 540.3649 2.98 LPC(O-16:1/0:0) 538.3513 2.91 LPC(O-18:1/0:0) 566.3818 3.13 LPE (0:0/20:4) 500.2779 2.07 LPE(O-16:1/0:0) 436.2834 3.05 LPE(O-18:2/0:0) 462.2992 3.21 LPI(0:0/18:0) 599.3168 2.58 LPI(18:0/0:0) 599.3198 2.79 LPI(18:1/0:0) 597.3037 2.12 LPI(18:2/0:0) 595.2888 1.65 LPI(20:3/0:0) 621.3041 1.89 LPI(20:4/0:0) 619.2885 1.61 PC 33:3 800.5432 8.45 PC 37:6 850.5584 9.63 PC(O-16:1/18:1)/PC(P-16:0/18:1) 802.5964 10.45 PC O-37:9/PC P-37:8 830.5299 9.21 PE(16:0/22:5) 764.5220 8.2 PE(18:0/20:3) 768.5533 11.2 PE(18:0/20:4) 766.5380 10.14 PE(18:0/22:6) 790.5374 9.63 PE(18:1/18:2) 740.5221 8.45 PI(16:0/16:1) 807.5015 5.74 PI(16:0/18:1) 835.5326 6.81 PI(16:0/18:2) 833.5175 5.99 PI(16:0/20:3) 859.5330 6.14 PI(16:0/20:4) 857.5175 5.89 PI(16:0/22:5) 883.5323 6.02 PI(16:0/22:6) 881.5168 5.72 PI(18:0/18:1) 863.5640 8.35 PI(18:0/18:2) 861.5486 7.22 PI(18:0/20:3) 887.5616 7.64 PI(18:0/20:4) 885.5490 7.04 PI(18:0/22:5) 911.5695 6.42 PI(18:0/22:6) 909.5486 6.8 PI(18:1/18:1) 861.5486 7.22 PI(18:1/18:2) 859.5330 6.14 PI(18:1/20:4) 883.5323 6.02 PS(18:1_21:2) 826.5565 11.62 PS(18:2_21:2) 824.5407 10.45 PS(20:0_20:4) 838.5586 6.7 PS(21:2_20:4) 848.5404 10.12 PS(22:0_18:2) 842.5895 8.05 PS(24:0_18:2) 870.6215 10.67 METABOLITES_END #END