#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