#METABOLOMICS WORKBENCH FernandezGarcia_M_20220701_052027 DATATRACK_ID:3325 STUDY_ID:ST002285 ANALYSIS_ID:AN003737 PROJECT_ID:PR001465
VERSION             	1
CREATED_ON             	July 6, 2022, 9:33 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics of the Leishmania donovani
PR:PROJECT_SUMMARY               	The project aims to measure targeted and non-targeted metabolite data of
PR:PROJECT_SUMMARY               	intracellular extracts of uninfected and Leishmania-donovani infected
PR:PROJECT_SUMMARY               	macrophages at 0, 12, 36 and 72 hours post infection using a multiplatform mass
PR:PROJECT_SUMMARY               	spectrometry approach combining CE-TOF/MS (polar metabolites), LC-QTOF/MS
PR:PROJECT_SUMMARY               	(non-polar metabolites) and LC-QqQ/MS (polar metabolites) to characterize the
PR:PROJECT_SUMMARY               	dynamics of metabolic alterations ocurring in the human macrophage upon L.
PR:PROJECT_SUMMARY               	donovani infection.
PR:INSTITUTE                     	CEU San Pablo University
PR:DEPARTMENT                    	Chemistry and Biochemistry
PR:LABORATORY                    	Centre for Metabolomics and Bioanalysis (CEMBIO)
PR:LAST_NAME                     	Fernandez
PR:FIRST_NAME                    	Miguel
PR:ADDRESS                       	Universidad CEU San Pablo, Campus de Montepríncipe, Alcorcón, Madrid, 28925,
PR:ADDRESS                       	Spain
PR:EMAIL                         	mig.fernandez.ce@ceindo.ceu.es
PR:PHONE                         	690090778
#STUDY
ST:STUDY_TITLE                   	Multiplatform mass spectrometry-based analysis of Leishmania donovani infected
ST:STUDY_TITLE                   	macrophages at different time points after infection
ST:STUDY_TYPE                    	Mutiplatform mass spectrometry-based metabolomics, time course experiment
ST:STUDY_SUMMARY                 	The project aims to measure targeted and non-targeted metabolite data of
ST:STUDY_SUMMARY                 	intracellular extracts of uninfected and Leishmania-donovani infected
ST:STUDY_SUMMARY                 	macrophages at 0, 12, 36 and 72 hours post infection using a multiplatform mass
ST:STUDY_SUMMARY                 	spectrometry approach combining CE-TOF/MS (polar metabolites), LC-QTOF/MS
ST:STUDY_SUMMARY                 	(non-polar metabolites) and LC-QqQ/MS (polar metabolites) to characterize the
ST:STUDY_SUMMARY                 	dynamics of metabolic alterations ocurring in the human macrophage upon L.
ST:STUDY_SUMMARY                 	donovani infection.
ST:INSTITUTE                     	Universidad CEU San Pablo
ST:DEPARTMENT                    	Chemistry and Biochemistry
ST:LABORATORY                    	Centre for Metabolomics and Bioanalysis (CEMBIO)
ST:LAST_NAME                     	Fernández García
ST:FIRST_NAME                    	Miguel
ST:ADDRESS                       	Centro de Metabolómica y Bioanálisis (CEMBIO), Facultad de Farmacia,
ST:ADDRESS                       	Universidad San Pablo-CEU, CEU Universities, Urbanización Montepríncipe, 28660
ST:ADDRESS                       	Boadilla del Monte. España
ST:EMAIL                         	mig.fernandez.ce@ceindo.ceu.es
ST:PHONE                         	+0034690090778
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens + Leishmania donovani
SU:TAXONOMY_ID                   	9606 and 5661
SU:GENOTYPE_STRAIN               	Human: PBMCs from 7 human donors. L. donovani: MHOM/IN/82/Patra1 and
SU:GENOTYPE_STRAIN               	MHOM/ET/1967/Hu3
#FACTORS
#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           	1	IL02_U_0_CETOF	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_0_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	2	IL03_U_0_CETOF	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_0_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	3	IL04_U_0_CETOF	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_0_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	4	IL05_U_0_CETOF	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_0_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	5	IL06_U_0_CETOF	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_0_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	6	IL07_U_0_CETOF	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_0_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	7	IL01_U_12_CETOF	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL01_U_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	8	IL02_U_12_CETOF	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	9	IL03_U_12_CETOF	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	10	IL04_U_12_CETOF	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	11	IL05_U_12_CETOF	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	12	IL06_U_12_CETOF	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	13	IL07_U_12_CETOF	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	14	IL02_U_36_CETOF	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	15	IL03_U_36_CETOF	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	16	IL04_U_36_CETOF	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	17	IL05_U_36_CETOF	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	18	IL06_U_36_CETOF	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	19	IL07_U_36_CETOF	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	20	IL02_U_72_CETOF	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	21	IL03_U_72_CETOF	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	22	IL04_U_72_CETOF	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	23	IL05_U_72_CETOF	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	24	IL06_U_72_CETOF	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	25	IL07_U_72_CETOF	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	26	IL01_1_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL01_1_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	27	IL02_1_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	28	IL03_1_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL03_1_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	29	IL04_1_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	30	IL05_1_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	31	IL06_1_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	32	IL07_1_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	33	IL02_1_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	34	IL04_1_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	35	IL05_1_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	36	IL06_1_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	37	IL07_1_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	38	IL02_1_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	39	IL03_1_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL03_1_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	40	IL04_1_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	41	IL05_1_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	42	IL06_1_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	43	IL07_1_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	44	IL01_2_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL01_2_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	45	IL02_2_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	46	IL03_2_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	47	IL04_2_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	48	IL05_2_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	49	IL06_2_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	50	IL07_2_12_CETOF	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_12_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	51	IL02_2_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	52	IL03_2_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	53	IL04_2_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	54	IL05_2_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	55	IL06_2_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	56	IL07_2_36_CETOF	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_36_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	57	IL02_2_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	58	IL03_2_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	59	IL04_2_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	60	IL05_2_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	61	IL06_2_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	62	IL07_2_72_CETOF	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_72_CETOF.mzML
SUBJECT_SAMPLE_FACTORS           	1	IL02_U_0_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_0_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	2	IL03_U_0_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_0_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	3	IL04_U_0_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_0_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	4	IL05_U_0_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_0_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	5	IL06_U_0_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_0_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	6	IL07_U_0_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_0_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	7	IL01_U_12_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL01_U_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	8	IL02_U_12_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	9	IL03_U_12_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	10	IL04_U_12_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	11	IL05_U_12_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	12	IL06_U_12_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	13	IL07_U_12_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	14	IL02_U_36_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	15	IL03_U_36_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	16	IL04_U_36_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	17	IL05_U_36_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	18	IL06_U_36_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	19	IL07_U_36_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	20	IL02_U_72_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	21	IL03_U_72_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	22	IL04_U_72_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	23	IL05_U_72_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	24	IL06_U_72_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	25	IL07_U_72_LCQTOFpos	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	26	IL01_1_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL01_1_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	27	IL02_1_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	28	IL03_1_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL03_1_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	29	IL04_1_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	30	IL05_1_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	31	IL06_1_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	32	IL07_1_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	33	IL02_1_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	34	IL04_1_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	35	IL05_1_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	36	IL06_1_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	37	IL07_1_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	38	IL02_1_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	39	IL03_1_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL03_1_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	40	IL04_1_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	41	IL05_1_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	42	IL06_1_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	43	IL07_1_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	44	IL01_2_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL01_2_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	45	IL02_2_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	46	IL03_2_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	47	IL04_2_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	48	IL05_2_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	49	IL06_2_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	50	IL07_2_12_LCQTOFpos	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_12_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	51	IL02_2_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	52	IL03_2_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	53	IL04_2_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	54	IL05_2_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	55	IL06_2_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	56	IL07_2_36_LCQTOFpos	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_36_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	57	IL02_2_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	58	IL03_2_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	59	IL04_2_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	60	IL05_2_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	61	IL06_2_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	62	IL07_2_72_LCQTOFpos	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_72_LCQTOFpos.mzML
SUBJECT_SAMPLE_FACTORS           	1	IL02_U_0_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_0_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	2	IL03_U_0_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_0_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	3	IL04_U_0_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_0_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	4	IL05_U_0_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_0_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	5	IL06_U_0_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_0_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	6	IL07_U_0_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_0_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	7	IL01_U_12_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL01_U_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	8	IL02_U_12_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	9	IL03_U_12_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	10	IL04_U_12_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	11	IL05_U_12_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	12	IL06_U_12_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	13	IL07_U_12_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	14	IL02_U_36_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	15	IL03_U_36_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	16	IL04_U_36_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	17	IL05_U_36_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	18	IL06_U_36_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	19	IL07_U_36_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	20	IL02_U_72_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	21	IL03_U_72_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	22	IL04_U_72_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	23	IL05_U_72_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	24	IL06_U_72_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	25	IL07_U_72_LCQTOFneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	26	IL01_1_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL01_1_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	27	IL02_1_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	28	IL03_1_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL03_1_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	29	IL04_1_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	30	IL05_1_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	31	IL06_1_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	32	IL07_1_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	33	IL02_1_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	34	IL04_1_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	35	IL05_1_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	36	IL06_1_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	37	IL07_1_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	38	IL02_1_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	39	IL03_1_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL03_1_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	40	IL04_1_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	41	IL05_1_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	42	IL06_1_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	43	IL07_1_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	44	IL01_2_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL01_2_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	45	IL02_2_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	46	IL03_2_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	47	IL04_2_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	48	IL05_2_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	49	IL06_2_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	50	IL07_2_12_LCQTOFneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_12_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	51	IL02_2_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	52	IL03_2_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	53	IL04_2_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	54	IL05_2_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	55	IL06_2_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	56	IL07_2_36_LCQTOFneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_36_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	57	IL02_2_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	58	IL03_2_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	59	IL04_2_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	60	IL05_2_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	61	IL06_2_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	62	IL07_2_72_LCQTOFneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_72_LCQTOFneg.mzML
SUBJECT_SAMPLE_FACTORS           	1	IL02_U_0_LCQQQneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_0_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	2	IL03_U_0_LCQQQneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_0_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	3	IL04_U_0_LCQQQneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_0_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	4	IL05_U_0_LCQQQneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_0_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	5	IL06_U_0_LCQQQneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_0_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	6	IL07_U_0_LCQQQneg	Infection (Factor):uninfected | Time (Factor):0	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_0_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	7	IL01_U_12_LCQQQneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL01_U_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	8	IL02_U_12_LCQQQneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	9	IL03_U_12_LCQQQneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	10	IL04_U_12_LCQQQneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	11	IL05_U_12_LCQQQneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	12	IL06_U_12_LCQQQneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	13	IL07_U_12_LCQQQneg	Infection (Factor):uninfected | Time (Factor):12	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	14	IL02_U_36_LCQQQneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	15	IL03_U_36_LCQQQneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	16	IL04_U_36_LCQQQneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	17	IL05_U_36_LCQQQneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	18	IL06_U_36_LCQQQneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	19	IL07_U_36_LCQQQneg	Infection (Factor):uninfected | Time (Factor):36	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	20	IL02_U_72_LCQQQneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL02_U_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	21	IL03_U_72_LCQQQneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL03_U_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	22	IL04_U_72_LCQQQneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL04_U_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	23	IL05_U_72_LCQQQneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL05_U_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	24	IL06_U_72_LCQQQneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL06_U_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	25	IL07_U_72_LCQQQneg	Infection (Factor):uninfected | Time (Factor):72	Strain (Other)=NA; RAW_FILE_NAME=IL07_U_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	26	IL01_1_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL01_1_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	27	IL02_1_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	28	IL03_1_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL03_1_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	29	IL04_1_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	30	IL05_1_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	31	IL06_1_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	32	IL07_1_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	33	IL02_1_36_LCQQQneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	34	IL04_1_36_LCQQQneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	35	IL05_1_36_LCQQQneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	36	IL06_1_36_LCQQQneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	37	IL07_1_36_LCQQQneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	38	IL02_1_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL02_1_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	39	IL03_1_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL03_1_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	40	IL04_1_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL04_1_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	41	IL05_1_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL05_1_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	42	IL06_1_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL06_1_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	43	IL07_1_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/IN/82/Patra1; RAW_FILE_NAME=IL07_1_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	44	IL01_2_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL01_2_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	45	IL02_2_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	46	IL03_2_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	47	IL04_2_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	48	IL05_2_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	49	IL06_2_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	50	IL07_2_12_LCQQQneg	Infection (Factor):infected | Time (Factor):12	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_12_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	51	IL02_2_36_LCQQQneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	53	IL04_2_36_LCQQQneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	54	IL05_2_36_LCQQQneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	55	IL06_2_36_LCQQQneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	56	IL07_2_36_LCQQQneg	Infection (Factor):infected | Time (Factor):36	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_36_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	57	IL02_2_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL02_2_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	58	IL03_2_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL03_2_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	59	IL04_2_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL04_2_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	60	IL05_2_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL05_2_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	61	IL06_2_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL06_2_72_LCQQQneg.mzML
SUBJECT_SAMPLE_FACTORS           	62	IL07_2_72_LCQQQneg	Infection (Factor):infected | Time (Factor):72	Strain (Other)=MHOM/ET/1967/Hu3; RAW_FILE_NAME=IL07_2_72_LCQQQneg.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Cloned lines of Leishmania donovani (MHOM/IN/82/Patra1 and MHOM/ET/1967/Hu3)
CO:COLLECTION_SUMMARY            	were maintained with weekly subpassages at 27 ºC in complete RPMI 1640 medium,
CO:COLLECTION_SUMMARY            	supplemented with 10% heat-inactivated fetal bovine serum, 2 mM L-glutamine, 100
CO:COLLECTION_SUMMARY            	U/mL penicillin plus 100 mg/mL streptomycin and 20 mM
CO:COLLECTION_SUMMARY            	4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) buffer. Only
CO:COLLECTION_SUMMARY            	parasites under ten passages were used in the experimental work. Peripheral
CO:COLLECTION_SUMMARY            	blood mononuclear cells (PBMCs) were enriched from blood from healthy volunteers
CO:COLLECTION_SUMMARY            	using a density gradient with Histopaque 1077. The mononuclear phase was
CO:COLLECTION_SUMMARY            	recovered and washed with PBS. Next, cells were labeled with magnetic CD14
CO:COLLECTION_SUMMARY            	MicroBeads and CD14+ monocytes were positively separated using an MS column.
CO:COLLECTION_SUMMARY            	Human CD14+ monocytes were differentiated in macrophages using recombinant
CO:COLLECTION_SUMMARY            	macrophage colony stimulating factor 1 (M-CSF). Briefly, monocytes were plated
CO:COLLECTION_SUMMARY            	at 1·106 cells/mL with 20 ng/mL of M-CSF. Growth factor was renewed at day 4
CO:COLLECTION_SUMMARY            	post-differentiation. The macrophages were used 7 days after differentiation.
CO:COLLECTION_SUMMARY            	Macrophages were infected with L. donovani promastigotes at a 1:10 ratio. After
CO:COLLECTION_SUMMARY            	4 hours of incubation, non-phagocytosed parasites were removed, and cells were
CO:COLLECTION_SUMMARY            	recovered. Macrophages were left in culture for 12, 36 and 72 h for metabolomic
CO:COLLECTION_SUMMARY            	analysis. Uninfected macrophages were used as a control. To isolate uninfected
CO:COLLECTION_SUMMARY            	and L. donovani-infected human monocyte-derived macrophages for further
CO:COLLECTION_SUMMARY            	metabolomic analyses, cells were recovered, washed with phosphate buffer saline
CO:COLLECTION_SUMMARY            	(PBS) and transferred into a previously weighted Eppendorf. After centrifugation
CO:COLLECTION_SUMMARY            	the supernatant was discarded, and the pellet was immediately frozen in liquid
CO:COLLECTION_SUMMARY            	nitrogen and stored at -80 ºC.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Macrophages were infected with L. donovani promastigotes at a 1:10 ratio. After
TR:TREATMENT_SUMMARY             	4 hours of incubation, non-phagocytosed parasites were removed, and cells were
TR:TREATMENT_SUMMARY             	recovered. Macrophages were left in culture for 12, 36 and 72 h for metabolomic
TR:TREATMENT_SUMMARY             	analysis (HMDMLd+). Uninfected macrophages were used as a control (HMDMLd-).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	To enhance the metabolome coverage of the samples, a double extraction was
SP:SAMPLEPREP_SUMMARY            	performed based on a previously described methodology 15. Briefly, 500 µL of
SP:SAMPLEPREP_SUMMARY            	cold methanol were added to L. donovani-infected and uninfected macrophage
SP:SAMPLEPREP_SUMMARY            	pellets. Subsequently, 170 mg of of 425-600 µm acid-washed glass beads
SP:SAMPLEPREP_SUMMARY            	(Sigma-Aldrich, Steinheim, Germany) were added to each sample. Samples were
SP:SAMPLEPREP_SUMMARY            	lysed using 4 subsequent cycles of bead-assisted lysis using a Tissuelyser® (t
SP:SAMPLEPREP_SUMMARY            	= 10 min, f = 50 Hz) followed by cooling in an ice bath (t = 10 min). To ensure
SP:SAMPLEPREP_SUMMARY            	a correct cellular lysis, the resulting cellular extracts were observed under
SP:SAMPLEPREP_SUMMARY            	Giemsa staining before and after cell lysis. Once lysis was performed, samples
SP:SAMPLEPREP_SUMMARY            	were kept under ice to ensure a correct extraction of the metabolites (t = 10
SP:SAMPLEPREP_SUMMARY            	min). After centrifugation (12,000 × g, T = 4 °C, t = 10 min), 100 µL of the
SP:SAMPLEPREP_SUMMARY            	methanolic extract were separated for the analysis of metabolites by
SP:SAMPLEPREP_SUMMARY            	reversed-phase LC-QTOF/MS. To perform an increased extraction of polar
SP:SAMPLEPREP_SUMMARY            	metabolites, 140 µL of Milli-Q water were added to the initial extract. After
SP:SAMPLEPREP_SUMMARY            	gentle vortexing (t = 5 min), metabolite extraction on ice bath (t = 10 min) and
SP:SAMPLEPREP_SUMMARY            	centrifugation (12,000 × g, T = 4 °C, t = 10 min), the resulting volume of the
SP:SAMPLEPREP_SUMMARY            	MeOH/H2O extracts was aliquoted for both LC-QqQ/MS and CE-TOF/MS analyses. CEMS:
SP:SAMPLEPREP_SUMMARY            	CE-TOF/MS sample buffer solution was prepared by dissolving methionine sulfone
SP:SAMPLEPREP_SUMMARY            	(internal standard, Sigma-Aldrich, Steinheim, Germany) in Milli-Q water
SP:SAMPLEPREP_SUMMARY            	containing 0.1 M formic acid (Sigma-Aldrich, Steinheim, Germany) up to a 0.2 mM
SP:SAMPLEPREP_SUMMARY            	concentration. Samples containing 165 μL of H2O/MeOH HMDMLd+ and HMDMLd-
SP:SAMPLEPREP_SUMMARY            	metabolite extracts were evaporated to dryness under high vacuum. The dried
SP:SAMPLEPREP_SUMMARY            	samples were resuspended in 70 μL of CE-TOF/MS sample buffer solution by
SP:SAMPLEPREP_SUMMARY            	energic vortexing for 1 min. After subsequent centrifugation (12,600 × g, T = 4
SP:SAMPLEPREP_SUMMARY            	ºC, t = 15 min), the resulting clear solution was analyzed by CE-TOF/MS.
SP:SAMPLEPREP_SUMMARY            	LC-QTOF/MS: Samples were prepared with 70 μL of the methanolic HMDMLd+ and
SP:SAMPLEPREP_SUMMARY            	HMDMLd- metabolite extracts. LC-QqQ/MS: A solution of 50.09 µM
SP:SAMPLEPREP_SUMMARY            	p-chlorophenylalanine (Sigma-Aldrich, Steinheim, Germany) in Milli-Q water was
SP:SAMPLEPREP_SUMMARY            	used as LC-QqQ/MS internal standard solution. A mixture of 15 µL of LC-QqQ/MS
SP:SAMPLEPREP_SUMMARY            	internal standard solution and 200 µL of the MeOH/H2O HMDMLd+ and HMDMLd-
SP:SAMPLEPREP_SUMMARY            	metabolite extracts was evaporated under high vacuum in a SpeedVac®
SP:SAMPLEPREP_SUMMARY            	concentrator (T = 40 °C; t = 2 h). The resulting evaporated extract was
SP:SAMPLEPREP_SUMMARY            	resuspended in 50 µL of H2O. Vials were centrifuged (3,000 × g, T = 4 °C, t =
SP:SAMPLEPREP_SUMMARY            	10 min) prior to injection.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Adapted from Agilent dMRM database and method with minor modifications
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity
CH:COLUMN_NAME                   	Agilent Zorbax RRHD SB-C18 (100 x 2.1mm, 1.8um)
CH:FLOW_GRADIENT                 	Binary pump gradient: Time (min) flow (mL/min) %B; Quaternary pump gradient:
CH:FLOW_GRADIENT                 	Time (min) flow (mL/min) %C %D 0 0 1 99 23.95 0 1 99 24 0.2 1 99 27 0.2 1 99
CH:FLOW_GRADIENT                 	27.5 0.3 1 99 43.35 0.3 1 99 43.5 0.3 1 99 52.25 0.2 100 0 59 0.2 100 0 59.9 0.2
CH:FLOW_GRADIENT                 	1 99 60 0 1 99 0.00 0.25 0 2.5 0.25 0 7.5 0.25 20 13 0.25 45 20 0.25 99 24 0.25
CH:FLOW_GRADIENT                 	99 24.05 0 99 24.1 0 0 58.95 0 0 59 0.20 0 60 0.25 0;
CH:FLOW_RATE                     	0.25 mL/min
CH:COLUMN_TEMPERATURE            	35 ºC
CH:SOLVENT_A                     	10 mM tributylamine, 15 mM glacial acetic acid in 97:3 (v/v) water:methanol.
CH:SOLVENT_B                     	Mobile phase 1, eluent B: 10 mM tributylamine, 15 mM glacial acetic acid in
CH:SOLVENT_B                     	methanol. Do not filter
CH:INJECTION_TEMPERATURE         	4 ºC
CH:SAMPLE_INJECTION              	20 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:DATA_FORMAT                   	.D
#MS
MS:INSTRUMENT_NAME               	Agilent 6460 QQQ
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	MRM isolation width narrow 1.3 Da AMH Quantitative Analysis (Quant My Way) for
MS:MS_COMMENTS                   	targeted data integration cycle time = 650 ms MRM repeats = 3 nozzle voltage =
MS:MS_COMMENTS                   	500 V
MS:CAPILLARY_VOLTAGE             	2000 V
MS:DRY_GAS_FLOW                  	12 L/min
MS:DRY_GAS_TEMP                  	325 ºC
MS:NEBULIZER                     	45 psi
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Normalized abundances
MS_METABOLITE_DATA_START
Samples	IL01_2_12_LCQQQneg	IL02_2_12_LCQQQneg	IL03_2_12_LCQQQneg	IL04_2_12_LCQQQneg	IL05_2_12_LCQQQneg	IL06_2_12_LCQQQneg	IL07_2_12_LCQQQneg	IL02_2_36_LCQQQneg	IL04_2_36_LCQQQneg	IL05_2_36_LCQQQneg	IL06_2_36_LCQQQneg	IL07_2_36_LCQQQneg	IL02_2_72_LCQQQneg	IL03_2_72_LCQQQneg	IL04_2_72_LCQQQneg	IL05_2_72_LCQQQneg	IL06_2_72_LCQQQneg	IL07_2_72_LCQQQneg	IL01_1_12_LCQQQneg	IL02_1_12_LCQQQneg	IL03_1_12_LCQQQneg	IL04_1_12_LCQQQneg	IL05_1_12_LCQQQneg	IL06_1_12_LCQQQneg	IL07_1_12_LCQQQneg	IL02_1_36_LCQQQneg	IL04_1_36_LCQQQneg	IL05_1_36_LCQQQneg	IL06_1_36_LCQQQneg	IL07_1_36_LCQQQneg	IL02_1_72_LCQQQneg	IL03_1_72_LCQQQneg	IL04_1_72_LCQQQneg	IL05_1_72_LCQQQneg	IL06_1_72_LCQQQneg	IL07_1_72_LCQQQneg	IL02_U_0_LCQQQneg	IL03_U_0_LCQQQneg	IL04_U_0_LCQQQneg	IL05_U_0_LCQQQneg	IL06_U_0_LCQQQneg	IL07_U_0_LCQQQneg	IL01_U_12_LCQQQneg	IL02_U_12_LCQQQneg	IL03_U_12_LCQQQneg	IL04_U_12_LCQQQneg	IL05_U_12_LCQQQneg	IL06_U_12_LCQQQneg	IL07_U_12_LCQQQneg	IL02_U_36_LCQQQneg	IL03_U_36_LCQQQneg	IL04_U_36_LCQQQneg	IL05_U_36_LCQQQneg	IL06_U_36_LCQQQneg	IL07_U_36_LCQQQneg	IL02_U_72_LCQQQneg	IL03_U_72_LCQQQneg	IL04_U_72_LCQQQneg	IL05_U_72_LCQQQneg	IL06_U_72_LCQQQneg	IL07_U_72_LCQQQneg
Factors	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):12	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):36	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):infected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):0	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):12	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):36	Infection (Factor):uninfected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):72	Infection (Factor):uninfected | Time (Factor):72
Lactic acid	1.892	2.373297028	2.059632754	0.864905643	1.734602847	3.348516872	1.669687161	0.828032783	1.553761052	2.554481678	2.825983071	1.891353889	1.055482096	1.356624449	2.604398335	2.56855316	3.277520118	3.073067237	1.748407223	1.440986954	2.086089402	2.779158502	2.455111594	2.250954142	2.827422876	0.756571301	1.553664099	2.576203451	2.371388391	2.64429435	1.689472333	2.047887473	2.660569573	2.722204183	2.194656578	3.489428961	48.10775175	3.441413107	4.761718708	8.584027834	14.68140738	2.099141068	2.808547187	1.175068456	4.476993086	4.492299359	7.249049258	1.459681753	3.724866862	1.447400847	4.270235043	2.822785528	4.678577461	4.025615748	4.120957355	1.827083749	1.626847925	4.177569362	3.834258274	17.14837832	4.649106132
trans-Aconitic acid	0.176428865	8.004389219	0.227243301	0.335334812	2.951398157	0.489710306	0.145958751	0.044435126	0.081566951	0.12061341	0.463723683	0.152661376	0.146458356	0.18406735	7.116205056	2.202581171	0.138974652	0.119061044	0.217649746	0.508727312	0.132424015	0.267795064	0.608179912	0.084661279	1.258967703	0.207526053	0.244774417	0.176272874	0.690836508	0.225860621	1.337836115	0.220315575	3.261561915	0.095282964	0.192891102	0.235808854	18.8290868	0.226630235	0.245992723	0.33111611	0.596892986	0.86671371	1.749966566	0.68042297	1.391327486	1.666941814	0.642640425	0.001740321	0.150326379	0.050399216	0.255899869	0.532806006	0.769222052	1.260336431	0.166717126	0.065559146	0.092322828	3.228006514	0.19609989	4.381329335	0.17434404
Glyceraldehyde 3-phosphate	1.304562335	0.338148861	0.953590766	0.54401802	3.071810986	1.18281288	0.406501845	0.896835117	0.200269322	1.36250672	0.65789483	0.305332641	0.442713531	0.278717012	0.272872268	0.361919429	1.157769384	0.622514899	1.901566589	0.308985406	1.119718843	0.818851735	0.848999017	2.501193793	0.773444609	0.18101662	0.161107782	1.249075145	1.057424497	0.181397093	0.040376281	0.168527024	0.248161451	0.442939224	1.170442409	0.566673275	0.263211461	5.245643555	2.998214099	4.590128686	1.413321667	1.040612865	0.616102078	0.490439603	4.75532363	3.137313611	5.783350239	3.011920232	2.071899848	1.014044047	2.89803372	2.324880676	3.771602998	3.382764922	1.50998751	0.344271099	1.125557441	1.065597257	4.266394948	3.944935285	0.863242169
Fumaric acid	0.019166623	0.014925053	0.348466989	0.014427105	0.005778086	0.019491391	0.010658846	0.010198076	0.019142604	0.014951232	0.149403695	0.037119839	0.01345813	0.048227315	0.239476888	0.012937751	0.07057815	0.022153157	0.009882587	0.014564641	0.105935162	0.017444391	0.017695302	0.252881478	0.01852751	0.012777362	0.001450232	0.016246485	0.01782141	0.097518068	0.007192887	0.206259553	0.057400626	0.007754638	0.016152197	0.043775876	1.212518653	0.100552207	0.145554668	0.210265846	0.134024803	0.082025641	0.015839843	0.003154466	0.118431291	0.138975937	0.239858897	0.05990188	0.012221552	0.012942298	0.118656983	0.132213774	0.160587286	0.23375194	0.100359971	0.016303481	0.005627699	0.279390182	0.024847869	0.136017885	0.063184586
Creatinine	0.003935261	0.010970048	0.036063787	0.032099323	0.040453762	0.056716038	0.032022827	0.0071422	0.046972954	0.037806727	0.011019671	0.034987319	0.010165949	0.001666828	0.000114247	0.004332103	0.006563255	0.002712117	0.010031194	0.00574935	0.05045958	0.038444336	0.025249656	0.043516715	0.057316453	0.298557667	0.022594971	0.054765792	0.003080739	0.066866967	0.006057571	0.00140052	0.000492567	0.003634414	0.018024556	0.005894406	0.202890143	0.010993995	0.018775233	0.035746148	0.039492475	0.00855933	0.007334112	0.01008343	0.054899328	0.055328427	0.022478974	0.006526392	0.021094498	0.00377683	0.047359405	0.02809768	0.013090832	0.023025019	0.01814114	0.001773267	0.005390785	0.007106451	0.017925116	0.050972746	0.000595632
Pyruvic acid	0.12334034	0.064488333	0.125643656	0.006276594	0.253494206	0.354818761	0.116403606	0.04372432	0.081945416	0.283541592	0.354337695	0.046932438	0.073894169	0.150447524	0.079355259	0.077934148	0.495203612	0.600757259	0.070523982	0.035612899	0.037710672	0.246606421	0.427264142	0.496194383	0.298205957	0.019967399	0.444399195	0.587174337	0.232560526	0.222478719	0.06624586	0.092431279	0.072182492	0.539127939	0.289494804	0.585592067	5.362862753	0.472220476	0.172857029	0.627901371	0.656191341	0.151702562	0.129685273	0.084586285	0.353702559	0.27410752	0.501874896	0.382747796	0.470455105	0.102233682	0.261718347	0.115872813	0.27488818	0.255764923	0.347828629	0.459307168	0.04227265	0.305808595	0.161250619	0.653108712	0.994912731
L-Gluthathione (oxidized)	17.91030058	0.649812953	2.886780451	0.152757932	3.418031569	1.70362568	0.073124982	0.432223253	0.008545593	2.746810274	0.90385676	0.006280381	0.638435443	0.469344523	0.692141669	0.422951219	0.382859661	0.010354997	12.46288305	0.03420303	1.882156123	1.028671397	1.492927234	4.095868894	0.03488542	0.070292144	0.035511756	3.66833961	2.226685245	0.007812237	0.01750613	0.408834167	1.01204019	4.495020421	1.074398962	0.007355243	0.023051291	7.79087451	4.545921577	29.87644911	4.939217644	2.195629279	5.179736396	0.197076308	3.688790067	0.826484142	26.96452317	4.576259583	0.348771137	0.990279347	4.517593441	2.718085	27.4130647	7.814435184	0.077291709	0.152462264	1.400718988	0.503487983	0.599730402	1.066375696	0.104003134
Ribose 5-phosphate	37.60689171	3.591317002	19.28926242	9.405183828	35.45961832	10.03128843	4.694100169	2.078680433	1.014990985	7.562578854	4.660348777	1.02325221	1.090073915	2.9699	3.480434941	4.007439623	4.972179986	2.251599493	45.4065225	1.173253421	17.49631626	15.12470368	18.13279246	13.09228822	8.780549821	0.655244682	1.757703042	9.976393119	7.139393655	1.774109558	0.371353428	1.883361145	2.411912552	5.347827798	6.248815339	2.134609274	49.06737858	12.2078121	12.13824794	27.54461307	7.185303173	7.138371215	6.072762128	2.229355109	15.29569159	14.93770406	27.66880449	14.88103275	16.8429979	6.248337686	13.378949	16.21507798	18.11514658	12.95132271	10.33274783	2.211969224	7.200182977	6.605426607	15.89243317	22.71710374	6.735720977
Asparagine	0.671977544	0.495333965	0.199393595	0.266850327	0.89530436	0.903368374	0.1865802	0.199201384	0.601060884	0.215578745	0.225600278	0.313528361	0.099418635	0.253890948	0.218174047	0.833642677	1.887039685	2.755065924	0.655291029	0.40555853	0.404833378	0.511546655	0.064948583	1.019590015	0.89079726	0.05429877	0.132384291	0.120530343	0.226331859	0.206671809	0.618734907	0.148709902	0.143534673	0.621700424	1.21580145	2.577883423	12.42566725	0.720407277	1.076243462	1.499572797	0.918118335	0.413362387	0.365581727	0.631936851	1.348488399	1.664806761	1.280753936	1.857141299	1.482905193	0.150377914	1.09764972	1.164851814	0.879220385	1.596249672	1.290397555	0.427536504	0.796192974	1.404989189	2.172792384	9.333387883	4.355868426
Glutathione reduced	150.8567285	0.524819274	1.306726151	1.919191833	10.17764238	0.73185215	0.060067701	1.932834303	0.067869048	2.28541514	1.305700878	0.10109494	1.079846231	1.675962521	0.958444277	1.500053048	2.95995291	0.087018212	123.9650489	0.152899995	1.255358941	1.205904604	2.46285675	0.996443334	0.030228399	0.231594793	0.082767846	4.240256607	3.612357673	0.061593789	0.129562194	0.20657274	1.605630172	8.88796858	2.90949873	0.044168564	0.132449933	8.862778711	16.94719795	95.9996102	6.353677837	1.662166464	15.30261383	0.205187893	11.76620805	5.190690656	71.98505662	15.89546354	2.416460873	2.663470123	5.940531357	8.516983407	115.7384353	19.56853053	1.924138239	0.133750516	5.594463144	1.341388855	2.90177797	5.17597892	1.635113709
Glucose 6-phosphate	5.015339262	3.305894626	3.738840406	4.649832298	35.30275693	16.24169138	0.914410625	9.435841286	1.769060215	15.0179205	7.899758724	2.864224002	3.492274937	2.142452911	3.251588516	2.627122607	11.52152052	4.91106089	2.565200275	4.037706654	7.121226814	6.081690935	5.462186513	38.59491458	9.972323188	2.037321901	0.98820828	17.17007882	7.409051495	0.535964064	0.334913015	1.653535456	1.440259348	4.027841128	13.39862449	4.977608995	16.75520459	47.52344124	33.31667698	41.183388	14.66399187	13.56458418	3.370905391	5.343055144	47.5359961	32.92850954	43.37345609	33.78510783	27.84829464	15.92516659	31.01478266	24.07353307	39.402858	37.26436245	24.33304213	2.997377256	13.20178681	12.08808295	57.28999477	75.68736575	9.041440018
Dihydroxyacetone phosphate	7.1969288	3.235014431	27.74802568	11.6763798	27.01922031	46.91810577	3.801264822	3.017395385	0.990009029	15.84581131	9.774060983	1.502513459	1.270114046	2.418469783	0.580930289	6.803492751	23.86098432	5.014661028	11.60415758	2.765267614	13.26907071	7.642985971	12.10447315	65.77217111	13.25500762	0.247293143	1.12112801	21.40596919	24.04570662	1.778544418	0.320138888	0.658932606	0.636454381	15.98248419	21.28202353	6.552808357	4.916919971	21.46756404	9.51100543	39.9410829	22.60062456	11.6942545	0.755000448	1.854445513	22.80935053	11.24606721	42.49595299	29.54478403	30.41766328	8.150974106	21.96809771	11.84993714	34.91063391	40.12924606	13.54367083	12.2411226	7.567388897	5.89386111	33.19523611	17.41178757	9.127564043
Glutamine	1.726779213	5.451301851	1.643880568	3.085099018	4.279902205	5.85378849	4.521037774	2.487560159	3.536301543	2.321023265	2.903747795	4.050774343	0.3425651	0.146081575	0.303622303	0.759147438	1.839410444	3.561444047	1.252087204	4.214744155	3.44142981	3.672184665	2.720488585	4.983524303	5.513098637	0.773088806	1.832176604	2.46781852	3.362199818	3.800916291	0.146436964	0.121069482	0.170005786	0.72908853	1.499686507	3.36338891	17.28190189	2.139379553	3.01440919	3.885475492	2.460076151	2.102832165	1.518871534	4.235861083	4.179406667	5.385745596	3.69246109	4.845107127	5.798912887	3.473569597	3.413831754	4.263179554	3.21045659	4.032191475	5.053979079	0.378051045	0.803616853	1.57272795	3.707334985	10.53398453	5.350188743
L-Citrulline	0.274458608	0.096112133	0.966844562	0.883598773	2.370408809	0.790315957	0.308764642	1.775461458	3.460313388	0.183127373	0.251129019	0.299101602	5.217050658	7.724474723	8.036143277	0.368181451	3.286456578	1.064174712	0.12456093	1.626354822	0.426583198	0.266591097	0.805507598	2.022760453	1.124894761	3.917731329	3.005119683	0.18582156	0.558711079	0.421377542	2.495789619	4.532063276	7.004652257	0.37180643	6.253079276	1.712529814	1.254017279	0.063735957	0.10541573	0.096901318	0.125040943	0.067844174	0.064861608	0.256204936	0.132688807	0.189898564	0.096375349	0.495955476	0.105221494	0.002455384	0.187832756	0.147785502	0.06686659	0.13408727	0.025493702	1.765601721	0.020323302	0.058459366	0.161492609	0.666988894	0.499181456
Tyrosine	8.201438347	4.913104046	4.193795764	4.260136568	2.896257766	4.750432271	5.231959093	6.719391076	4.146131278	3.794867978	5.678922688	4.889776052	5.307877571	6.247862778	5.753274383	5.895461528	12.10192944	15.50445465	9.356907748	3.175860303	3.017500744	3.856657434	2.452339212	5.044970634	5.330220125	2.95349911	2.87166958	3.865062714	6.324172712	6.702893342	6.295971523	3.164720357	7.43768011	4.513178834	8.312570234	14.21804861	4.387379048	4.018582537	6.910160833	9.844576288	6.046185633	3.470340925	6.875413656	3.862389567	7.943984858	12.2151313	9.641608481	9.691642144	13.87635331	8.20541338	6.081390113	7.930146603	5.945886812	9.574217292	13.25735781	4.249308491	7.787882637	9.981435848	9.192580848	13.14978428	22.06734476
Sedoheptulose-7-phosphate	11.23347708	1.597778636	2.916499948	1.620767405	7.207381913	2.908943883	1.168381567	3.764047363	0.660051308	2.947023869	2.057275666	1.068631815	1.918188597	0.91063495	2.368717167	0.589238629	3.245676351	1.453387001	14.31886955	1.073246086	2.827027187	2.541580297	2.00216012	5.928302559	2.206471438	0.892194755	0.541608626	2.938774837	2.657229711	0.468397559	0.282641295	0.83099583	0.897840214	1.180723226	4.384313912	1.386497659	8.627095423	19.37109104	12.8186706	13.27505861	3.364036163	3.258112343	3.341003459	2.226333356	16.55127189	14.64665187	19.284667	8.676113681	4.83765106	5.194359181	10.02184326	11.10600398	10.41504031	10.09914789	5.658210809	0.587817985	4.093923904	6.201843995	11.30744232	13.05897604	2.748096378
Adenosine 5-monophosphate	24.73839823	7.70154897	18.09896989	6.663168221	13.42367696	11.83343024	6.601487135	8.142080667	0.071509729	10.4124685	12.56583073	3.672148185	9.763294316	12.93678094	12.60750974	6.138293892	0.941848916	0.90880727	22.14787523	0.585406381	10.75939564	9.942469806	9.860149924	5.505606019	2.286107016	1.847607702	1.503246429	13.50400248	14.32373668	4.478366898	0.530733342	7.135215437	13.92368223	14.62766801	2.804738601	0.722146309	6.634128495	12.78492973	6.924346238	2.653759304	0.506688094	4.383800023	18.28265806	7.047656159	14.4178292	7.877059138	3.241679503	0.731993115	3.102926412	15.254517	11.84132712	9.769845729	5.64476231	1.061473851	2.638493622	0.580574294	15.90734381	14.29836518	1.927263101	0.763303326	0.795915316
Guanosine	0.042341568	0.031263449	0.002126865	0.040352181	0.053870379	0.015036943	0.029847695	0.286088433	0.020492941	0.04101926	0.044820346	0.054342273	0.047783506	0.098403787	0.35349477	0.139589003	0.739486908	0.33068078	0.011201065	0.005739067	0.021218134	0.019433691	0.007271079	0.010910998	0.012925363	0.032978934	0.032318241	0.054403054	0.016121133	0.027846364	0.000831253	0.066464673	0.081850959	0.048006795	0.191728915	0.204115119	0.813211628	0.235510769	0.614231805	1.889358759	0.602296358	0.149119967	0.159502542	0.084719293	0.262848403	0.369092784	1.573355731	3.00902779	0.438860563	0.530638583	0.267486064	0.300269116	0.848481906	1.761179561	0.412206604	0.300301903	0.217599108	0.440690312	0.253654028	2.595114031	3.501449747
Histidine	0.367598826	0.312784913	0.036264051	0.123332883	0.09914697	0.235096087	0.150816864	0.214854323	0.103314867	0.050737596	0.094469854	0.183894926	0.025517708	0.170178494	0.104907932	0.176782397	0.534871148	0.854247025	0.306323434	0.076864047	0.07549631	0.164185305	0.074952452	0.262646351	0.223127145	0.046051444	0.049674192	0.121162221	0.20240984	0.115953712	0.178795805	0.152331402	0.179593552	0.128028379	0.360177889	0.845226403	0.067814517	0.203507923	0.28777323	0.426043342	0.280870203	0.154478692	0.509533334	0.133285537	0.336462711	0.641236955	0.485641014	0.622531094	0.776795958	0.037669533	0.298867464	0.344220281	0.329601952	0.463661343	0.615315492	0.215455253	0.242754759	0.367386824	0.612169336	1.793705209	1.352452319
Serine	1.164466461	0.240961493	0.266152112	0.40426482	0.692829345	0.356152399	0.223344719	0.521982161	0.394723629	0.395417319	0.285908903	0.4631902	0.633426332	0.395986604	0.53836984	0.7268469	1.328407167	2.179526732	0.822877371	0.321020449	0.233877253	0.292133745	0.169316675	0.857179469	0.657538116	0.335474812	0.501893471	0.309356552	0.435501773	0.371234066	0.337275937	0.519605197	0.328574488	0.5289486	1.043062367	2.140358734	3.273059079	0.688330991	1.081708181	1.335488566	0.664438659	0.401179111	0.975228366	0.598995955	1.249934147	1.791038409	1.285587275	1.723527256	1.895609142	0.739437473	1.143364697	1.256815375	0.906067288	1.327546679	1.806199704	0.583041607	0.935113895	1.055334525	2.221512686	7.178945517	3.031554682
Proline	0.077072176	0.006717929	0.056948703	0.037660107	0.03919277	0.010790415	0.003261301	0.030440813	0.052930764	0.014563561	0.039456701	0.03456093	0.082434429	0.013548258	0.002462947	0.031360438	0.116198211	0.15743066	0.080318985	0.010007918	0.027192763	0.04459615	0.031710251	0.063212555	0.043261742	0.000602519	0.021053774	0.013156041	0.034158094	0.045972499	0.041517252	0.011534243	0.014078363	0.021439027	0.090284033	0.165246804	0.095301085	0.052112166	0.062912136	0.084779904	0.03629482	0.017258858	0.054213229	0.04493016	0.0785989	0.135369832	0.104114613	0.07627647	0.126939851	0.008006607	0.04250581	0.082185703	0.049059576	0.067047638	0.139030668	0.017569589	0.054219326	0.071416075	0.146992352	0.232517417	0.25977136
trans-4-Hydroxy-L-proline	0.096718922	0.071894746	0.053554297	0.056308514	0.006487049	0.155158306	0.112654588	0.086447417	0.118326809	0.069490405	0.083072071	0.11603599	0.107925762	0.044008822	0.056517906	0.117070682	0.222588007	0.153996195	0.116798928	0.071898314	0.11990796	0.096818321	0.042073955	0.142227876	0.102935294	0.027988366	0.021065951	0.046121548	0.086413166	0.124521595	0.070770733	0.038640052	0.064412808	0.069082291	0.089041306	0.249596464	0.524527437	0.048257761	0.131461366	0.205063156	0.15769602	0.057311742	0.113185552	0.018740727	0.151772282	0.229826488	0.149408957	0.167203571	0.244748539	0.052270265	0.130014188	0.100489095	0.139416676	0.135744168	0.253843571	0.056810232	0.09524214	0.137099392	0.165526402	0.323288102	0.280449758
L-Kynurenine	0.031615654	0.011446742	0.026797623	0.019933959	0.030841404	0.065225581	0.056259387	0.006477195	0.066785782	0.038202859	0.05292465	0.039945159	0.190583039	0.019211784	0.011276859	0.018185784	0.053465419	0.019533953	0.0097737	0.011886797	0.060931129	0.04186423	0.032726934	0.075058967	0.072761566	0.003369204	0.038240791	0.059991014	0.031823264	0.036520621	0.326787371	0.002863905	0.073593922	0.032075336	0.041602168	0.031853388	0.193708972	0.009909731	0.015678213	0.242102395	0.074926016	0.076179367	0.035246234	0.003248816	0.026963636	0.04248819	0.232119256	0.08214224	0.124893816	0.006495372	0.032274054	0.025814277	0.125048244	0.026832581	0.058060319	0.010321882	0.009069595	0.081414793	0.044546592	0.057725576	0.020211319
Uracil	1.987764403	0.354960535	1.047217163	0.424338865	0.824994679	1.65509291	0.21311194	0.771959316	0.959457963	0.205586071	0.215819212	0.352087318	0.111439362	0.176307892	0.311650868	0.048806205	1.521802091	2.838173338	2.517055106	1.290320146	1.194020277	0.61945156	0.302675167	4.801709861	1.428840339	0.18459376	0.200566588	0.297821973	0.269781576	0.228080383	0.193447979	0.137301531	0.172887504	0.064375179	0.934278201	3.184456558	0.481654026	0.445596408	0.789872757	2.481405533	0.984595083	0.262253135	0.081337138	0.182931376	0.591255771	0.899583279	2.148948245	2.614060957	0.980502908	0.398842281	0.620315966	0.754454832	1.14540986	1.840271393	0.642298817	0.372761706	0.311102472	0.537552208	0.390701768	2.798288417	5.332595577
Hypoxanthine	13.75945584	4.602141322	14.73776616	6.5058218	14.94198639	14.17326644	2.845893556	12.67082113	5.070240834	6.359823336	10.04379128	3.198647294	4.992624868	4.837125657	8.699573717	3.123020164	38.62114752	38.78353909	16.97778418	5.112563739	9.123618822	7.117542963	5.217983975	43.90439047	11.95306695	3.756065774	2.252763994	9.511466894	15.05027181	3.725106941	2.515494541	3.321259263	4.806218728	4.229599032	31.50085693	30.90291573	4.507919264	15.29772402	22.99995178	35.36176712	11.76190605	7.369893921	4.386494639	1.88548443	17.52980869	21.08259616	31.47188992	31.75475903	18.92480974	10.32665382	21.82906235	22.109629	30.44161445	37.44637377	18.10823343	3.73481967	16.38622318	20.84682189	10.2831398	33.87821653	42.59186324
Leucine	0.590660723	0.499207269	0.324815225	0.371709668	0.210579525	0.516173928	0.451696376	0.698521824	0.402311099	0.299144817	0.516038953	0.607357361	0.427270881	0.409591086	0.46308779	0.51254878	1.072658597	1.396023394	0.648807843	0.31552844	0.254626257	0.361514782	0.214487802	0.487691821	0.468158186	0.235085769	0.23540705	0.402799841	0.600273247	0.62396696	0.394958146	0.329040891	0.604138059	0.44497578	0.746161606	1.472842133	0.63018732	0.33153008	0.656006394	1.127853267	0.596272229	0.333096714	0.581595225	0.308577908	0.786107507	1.30463357	0.990956031	0.979486066	1.448358815	0.770370154	0.608738047	0.660426861	0.698676354	0.964096694	1.417014484	0.347672982	0.695041074	0.788259272	0.832331087	1.221005772	2.100471312
Isoleucine	0.129005568	0.18590537	0.093292859	0.045695044	0.096295015	0.09846118	0.153606301	0.077313372	0.191924767	0.053632233	0.129030221	0.096993837	0.120633581	0.129161542	0.105392348	0.128290139	0.265085173	0.146044551	0.130923064	0.08282083	0.097896767	0.067118995	0.084724609	0.205295118	0.148550473	0.051909178	0.074252635	0.09002768	0.118170753	0.198995319	0.189023104	0.052871223	0.260953279	0.137918377	0.161115537	0.223662089	0.214367054	0.065498037	0.093530474	0.18763417	0.103519124	0.063623597	0.135081204	0.062548819	0.104658021	0.226575369	0.166137889	0.168663116	0.215026805	0.107501505	0.112532498	0.154829636	0.111544636	0.172759763	0.251916502	0.08018207	0.109422288	0.140457331	0.173086607	0.204456548	0.291697863
Xylulose-5-phosphate	45.76428812	3.36278864	17.86559146	7.163393198	19.65122506	9.784271099	4.774286932	2.159844123	0.064257434	5.721773788	3.84485455	0.026357366	2.53030433	1.07655132	0.982520103	1.928918592	4.141177091	1.405407551	52.87816706	0.086302505	15.80664897	12.23238131	16.27024542	11.58206031	7.357812237	0.56727342	1.063444522	8.25490468	4.297732748	0.157878743	0.018771214	0.44828771	0.78057835	2.792342544	3.79903257	1.512500723	0.837829132	7.743312977	5.127273535	20.06497076	5.595254461	3.81041498	3.147311799	0.106578208	7.359464492	4.698194043	23.76087086	9.223343696	8.950345803	2.010910498	4.868542773	5.249362531	15.08398418	10.38311157	4.518804845	1.345025484	2.508900185	1.961813399	8.209880567	5.279409682	3.217417205
Fructose 6-phosphate	21.67744989	22.03348282	203.7573053	74.19074257	107.7978223	24.6775308	8.249929754	14.58197186	4.064898927	44.79238555	20.35463672	22.68158538	43.51011246	172.9742347	149.1279322	79.28210026	16.33216015	5.650339705	33.9888117	16.70720748	135.0127139	67.88737932	69.3581436	70.99448361	26.25014054	8.629813271	18.32333536	87.78233806	25.34498799	10.66233201	2.261366916	109.7972775	97.83808599	136.487286	17.48012653	6.012480201	19.59300098	100.0260442	48.93034785	69.9236571	20.68609448	16.52630701	162.4272176	5.677832798	90.58813295	41.0288482	83.57619449	48.82922656	42.92513391	16.73869172	39.30353319	26.89338017	58.7229349	48.51637324	52.46040622	5.578323893	331.3987289	198.4329475	149.6423899	49.33838783	10.29311
Arginine	5.821331751	5.237263788	3.19724451	3.461474296	2.795471294	5.633741305	4.819054252	3.525292749	2.826025301	2.323978819	3.389652497	3.928849249	0.162537847	0.2150163	0.473713089	6.531493668	6.957423882	9.58691017	6.026416185	3.580543201	3.335417124	3.870084064	1.913948679	5.912932812	6.459721766	0.495790309	1.478285535	1.972111252	2.996250859	3.66462292	0.923633047	0.088432943	0.271598056	4.37348707	4.270513149	8.957797312	17.95988048	2.114412419	3.193759387	4.170851327	3.10676693	2.251320172	4.643212684	3.839555296	4.264270107	6.63809842	3.762673361	4.50757118	7.093609722	3.608817434	3.720452989	4.561834423	2.375348531	4.387800674	6.874541365	0.879986916	2.639244644	3.523751285	6.601243056	20.24085281	10.83373707
myo-Inositol	184.7761139	453.267573	244.2106485	333.2523005	156.7981664	433.1935317	474.5268064	114.2385661	296.3801388	152.3105225	288.3877271	372.3346136	426.306255	417.0168002	268.171645	513.177468	438.5266508	344.8854205	211.4188678	344.4393825	342.3554193	336.9861093	268.9521808	274.9454232	471.5937346	84.80889207	173.7258741	167.5883959	238.9656657	374.2586401	697.6658889	200.3085308	437.8333822	381.1498642	439.4324283	357.0585862	382.1014032	78.85394238	54.35602014	43.71846439	73.19165412	106.7139884	287.8808529	297.6296557	206.1382346	171.010246	31.69782712	62.05329565	265.0489896	116.776108	159.6520709	141.6673208	42.35933816	93.77577397	203.3339756	274.7496384	298.1313868	260.4500525	189.5939823	241.6944833	90.01187372
Threonine	1.097285341	0.554124274	0.378114284	0.617388938	0.738258011	0.684810662	0.435181393	1.306315816	0.726134043	0.551116403	0.498574559	0.751828327	1.067018291	1.235811918	1.222113529	1.034207867	1.983433897	3.528242013	1.207436278	0.534622849	0.421717885	0.373201636	0.316218786	0.93644247	0.816210496	0.193117644	0.374123439	0.627314305	0.555548568	0.8028861	1.532079129	0.61515206	1.038010135	0.71442477	1.299349786	2.836649684	2.697578431	0.898356796	1.527706535	2.059193335	0.974801146	0.535003331	1.495912296	0.775654534	1.837827486	2.628274416	1.916763602	2.58301785	3.02556895	1.346061298	1.282124667	1.562555935	1.457968692	1.962414216	2.70469592	0.977214084	1.84338074	2.107507282	3.22410636	9.466505171	5.08205482
Methionine	7.500505534	3.32376786	2.917624038	3.395012889	2.692783919	3.417170201	2.933947072	5.029846039	2.714327345	2.465835227	3.422155748	3.587460712	3.224128375	3.617729256	3.448004322	4.30713218	11.85906972	16.87737558	7.941426669	2.129647418	2.489751407	2.693242916	1.820180547	3.973241132	4.783501039	1.238706063	1.848879906	3.254003239	3.96866498	4.060381271	2.897344859	2.424077583	3.523761166	2.962355018	7.800063912	14.44948787	3.059710423	4.338276762	7.273870237	10.6181674	6.216403815	2.721639401	7.183570973	2.315847296	8.835564923	12.11742381	9.731263957	10.33850281	13.50801297	6.423076446	6.444727402	7.851351797	7.043757058	10.15336902	11.6377882	2.503044615	6.410381689	7.996850734	10.42807091	18.27484739	23.51982387
Xanthine	3.509181579	3.571762634	4.446937221	3.364525276	2.253699167	4.282564329	3.165718411	7.186194643	2.66867763	1.619687966	3.016069787	2.762203923	4.60768469	2.80638586	2.269436621	2.303483255	2.920633202	3.978668136	4.4539348	3.657641436	2.904513007	2.835517597	2.855023447	9.870633192	4.758152887	5.368204142	1.752573014	2.480685605	2.753207817	3.500280567	2.641559708	2.566864756	2.229567922	2.258056809	2.693388849	3.494284288	2.307687496	1.193114453	0.932168885	1.547315353	1.134303303	1.270314155	2.704008522	2.772174389	2.229135756	1.510919586	1.219118854	1.303630523	2.937079468	6.592936897	1.359318048	1.374190016	1.053839777	2.026557362	2.883475957	1.423326418	2.20341408	2.27362222	1.458666022	0.881405164	2.426453815
Glutamic acid	42.31233253	18.21974173	43.68363184	31.85543089	18.42355588	27.7882479	18.20455659	20.38560975	14.02691752	17.5764816	29.99460674	16.18003089	17.87262193	29.89444163	40.72608522	16.99805772	46.86084695	48.90732919	44.83372633	9.834029759	23.48441701	27.99785005	11.81653604	32.96603664	19.49408177	7.58435105	11.46372358	22.78211002	36.04793548	18.96827069	12.23278127	16.30027152	40.03964787	31.37511992	38.65911674	45.57481613	12.42876632	44.2962335	35.56180542	41.314166	46.78502032	28.47354357	94.1363916	13.72347754	43.74633533	57.86185448	38.96791941	42.83956303	40.02518139	29.71354399	37.55018934	47.94005651	43.98482634	49.41468077	44.73130605	8.816438797	44.97708625	57.43406656	22.96324192	41.96367763	62.39576328
Aspartic Acid	10.08179216	7.620401255	7.258093491	5.636626994	4.706077482	7.888571756	7.359714271	19.75513624	4.731415972	5.083860088	6.529555866	4.613906929	20.84578101	8.00856265	7.455975912	6.238409653	13.88889645	15.80102264	10.96012376	4.190757361	5.461937226	6.138695392	3.859166095	8.804384079	6.753613395	7.009996511	3.82048332	5.706512963	7.495611504	5.086198431	12.15931772	4.523371989	10.80409571	7.345982242	10.16783289	15.12983251	6.872147315	4.108133097	6.37019216	11.28529731	5.149616712	3.24344556	9.686205199	6.019956083	8.334401205	14.42339194	11.39959842	9.831362764	11.5595966	34.65260539	7.261252655	9.517690667	8.690480479	10.981729	9.167343211	13.55874154	8.717272645	12.65842112	8.250406558	12.89242354	20.27385044
Inosine	0.441725567	0.142684883	0.302014713	0.332420889	0.342253059	0.156063855	0.174639541	6.596456057	0.181375004	0.73014814	0.663442143	0.215290013	1.385120294	1.017175188	3.433846608	0.869706807	10.04056891	3.382562859	0.139173038	0.009730016	0.130495448	0.168948878	0.177696954	0.171994423	0.127723317	0.805659362	0.332143077	1.292573151	1.896237534	0.383515662	0.155421486	0.564018038	1.455690174	1.531509478	4.143267599	2.369145266	4.612659808	13.27082757	16.74759049	34.63561076	7.187381666	5.881829321	5.108855367	1.447945473	11.44753875	10.67054393	33.63824908	40.78066106	15.59493409	11.02231119	13.53957235	12.45814185	29.82444004	31.18602489	12.3520662	3.831957355	7.699983365	10.26895481	4.849648114	26.46666587	34.15158817
Phenylalanine	40.59529618	14.61837404	13.78780155	14.71451369	10.86925528	17.6594957	17.98854808	22.96149886	14.15113804	12.94613014	21.08081149	19.35871878	17.29808431	20.82033709	19.71656588	19.98416716	56.64640116	71.78695246	37.21445375	9.347897753	9.977483324	12.25476123	7.63879285	19.74765659	19.01864265	7.854077572	9.840802012	14.45594196	24.7832431	25.08696994	22.077055	11.47643091	26.35110747	15.29943712	35.88332325	70.000612	10.18807442	17.32719735	32.56527441	53.26326174	30.26070229	15.40451342	27.32552739	10.57080608	32.8518576	55.56580718	50.42645872	47.93037517	57.50416628	27.52223518	24.04966595	31.5989784	29.41236454	48.91978829	59.76257935	15.10778584	25.9147474	34.01971313	35.25097839	61.02754089	117.3894155
Pyroglutamic acid	230.1994155	378.2245022	269.2756604	411.5931347	445.2648297	280.7099198	389.7779119	705.4702682	611.7140527	623.3265766	505.6716155	500.3731604	384.4643044	273.6010882	378.1242813	284.8799398	235.7511546	340.3239386	202.0767471	558.0716579	335.0148881	407.9813684	515.2624752	279.2638947	327.4706788	835.5755782	740.8727482	531.4740358	492.2773585	501.207682	207.900518	609.9331109	291.3035385	310.625415	289.7720788	341.5161223	266.377409	488.1897977	503.8479183	252.9404416	621.8995051	699.0812207	290.4066127	609.826796	345.8302655	364.1180982	283.996223	469.4110925	324.3455097	634.4122961	486.8548032	474.4711748	302.520247	381.2593154	421.683699	620.2641136	145.0035377	223.3674847	358.5049392	201.4777245	436.0545547
Tryptophan	6.950780423	8.946515108	1.835315292	2.621779575	2.625073884	3.515579985	2.771484352	4.840533279	3.07277352	2.051522868	2.704306695	3.73211351	4.032447438	4.165872012	4.099073046	4.288485652	10.23690632	18.48111095	11.7559978	2.512565987	2.179119585	2.444824556	1.331584286	3.294862022	3.885213523	3.526852126	2.069284232	1.838472468	2.973695002	3.325527063	5.474968473	2.769570443	4.564238606	2.836673316	6.93188609	17.94771707	10.28329006	3.317401801	6.38764645	11.71747661	5.943078551	2.260768691	5.473570379	3.786564061	5.990767408	12.45226344	10.58281994	13.37541437	12.32310117	5.316740367	5.200653038	7.911428409	5.494654694	11.33629645	12.48960938	3.624426312	5.857054817	8.959265326	11.94513708	38.12026664	33.37513443
Ribulose-5-phosphate	43.37811694	3.775851743	17.94887963	7.773414637	20.01452028	9.933667973	6.020457533	1.654270325	0.58995319	5.12713241	4.324150812	1.871331414	1.700914431	1.177171203	1.99456521	1.887421833	4.895812848	1.838157057	52.77449593	0.435741367	14.50276088	12.11706119	13.26769652	10.88276071	6.801385179	0.283976952	1.322430618	9.722284999	6.462247429	1.724018801	0.277588715	1.084499101	1.161361097	3.246406218	4.688372464	2.301760295	1.984442901	8.168543313	5.778298453	17.76019822	4.86047557	4.398053202	3.812923013	0.800422441	8.204539424	7.095822564	21.78122257	8.958957234	8.813441715	5.123572603	6.925565918	6.064994094	12.62243028	10.12420193	5.068127602	1.7656943	2.771751336	4.595946392	6.850539816	6.436669044	3.835067558
NAD	3.812215971	0.727538783	0.1971026	0.115772454	0.309632418	0.344102781	0.282432269	1.515697519	0.136427874	0.531806962	0.377924398	0.071777159	1.214033224	0.308966257	0.412814162	0.307884401	1.199468031	1.143674041	5.825476335	0.126592258	0.11168037	0.177056593	0.328243325	0.674449087	0.053989222	0.711670135	0.125817155	0.589689549	0.709314182	0.065091301	0.688104868	0.154049874	0.823782756	0.474190932	0.734245337	0.778131171	0.65302115	0.304271033	0.819419641	3.507619559	1.339189878	0.344181726	1.838709861	0.167758856	0.28523894	0.691728654	2.148195514	2.206292521	0.838555196	0.802341767	0.42961064	0.680899829	2.014850471	2.397506824	0.688513201	0.258659813	0.43337768	0.747913911	1.05902284	1.67059832	1.643189253
Malic acid	66.97484791	30.15176755	68.03970897	46.38195587	38.95379367	48.27988397	26.29192413	14.83039962	19.02142859	50.16137803	44.37197137	22.2491144	32.47657823	17.39708475	61.82632062	18.4490972	24.56027573	26.80659433	49.13168488	18.14807009	32.38752785	41.77017376	19.19069271	64.74444481	27.46341582	17.36605536	13.44847625	47.82200968	57.75789513	20.95708169	15.00699263	12.11999241	33.14443644	28.96034286	26.22515198	31.75407247	52.17654591	65.69214979	128.4421662	97.95213924	63.72264606	43.99900842	22.13739975	8.078998158	48.59462502	98.38462792	88.62185081	54.72689656	50.68861972	17.85423649	63.42725852	93.51820487	131.1332737	89.58863521	45.8278077	13.06753559	28.90700518	81.90638488	23.02948911	18.60550022	22.35207687
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG Code ID	Transitions	RT
Pyroglutamic acid	C01879	(128.1 -> 128.1), (128.1 -> 84.0)	6.96
myo-Inositol	C00137	(239.1 -> 179.0), (179.0 -> 71.0)	1.33
Malic acid	C00149	(133.0 -> 115.0), (133.0 -> 71.1)	12.92
Glutamic acid	C00025	(146.0 -> 102.0), (146.0 -> 128.0)	2.68
Fructose 6-phosphate	C00085	(259.0 -> 97.0), (259.0 -> 79.0)	7.28
Phenylalanine	C00079	(164.1 -> 147.0), (164.1 -> 103.0)	4.7
Glucose 6-phosphate	C00668	(259.0 -> 97.0), (259.0 -> 79.0)	6.84
Dihydroxyacetone phosphate	C00111	(169.0 -> 97.0), (169.0 -> 79.0)	9.67
Hypoxanthine	C00262	(135.0 -> 92.0), (135.0 -> 65.1)	2.18
Ribose 5-phosphate	C00117	(229.0 -> 79.0), (229.0 -> 97.0)	7.16
Inosine	C00294	(267.1 -> 135.0), (267.1 -> 108.0)	4.23
Ribulose-5-phosphate	C00199	(229.1-> 78.9), (229.1 -> 96.9)	8.28
Adenosine 5-monophosphate	C00020	(346.0 -> 79.0), (346.0 -> 97.0)	11.31
Xylulose-5-phosphate	C00231	(229.0 -> 79.0), (229.0 -> 97.0)	8.1
Tyrosine	C00082	(180.0 -> 119.0), (180.0 -> 93.0)	2.2
Sedoheptulose-7-phosphate	C05382	(289.0 -> 96.9), (289.0 -> 79.0)	7.3
Aspartic Acid	C00049	(132.0 -> 88.0), (132.0 -> 71.0)	3.01
Methionine	C00073	(148.0 -> 47.2), (148.0 -> 100.0)	1.82
Tryptophan	C00078	(203.1 -> 116.0), (203.1 -> 74.1)	7.47
Arginine	C00062	(173.1 -> 131.0), (173.1 -> 156.0)	1.21
L-Gluthathione (oxidized)	C00127	(611.1 -> 306.1), (611.1 -> 272.1)	12.71
Glutamine	C00064	(145.1 -> 127.0), (145.1 -> 109.0)	1.34
Lactic acid	C00186	(89.0 -> 43.3)	6.82
Glutathione reduced	C00051	(306.3 -> 306.3), (306.3 -> 143.0)	7.89
Xanthine	C00385	(151.0 -> 108.0), (151.0 -> 42.2)	2.38
Glyceraldehyde 3-phosphate	C00118	(169.0 -> 97.0), (169.0 -> 79.0)	7.27
trans-Aconitic acid	C02341	(173.0 -> 85.1), (173.0 -> 129.0)	14.59
Threonine	C00188	(118.0 -> 74.1)	1.35
Asparagine	C00152	(131.0 -> 113.0), (131.0 -> 70.0)	1.38
Serine	C00065	(104.0 -> 74.1)	1.31
NAD	C00003	(662.1 -> 540.0), (662.1 -> 327.9)	8.76
Leucine	C00123	(130.0 -> 45.0)	2.37
Uracil	C00106	(111.0 -> 42.2)	1.81
Histidine	C00135	(154.1 -> 93.1), (154.1 -> 137.0)	1.23
Pyruvic acid	C00022	(87.0 -> 43.2)	8.85
Guanosine	C00387	(282.1 -> 150.0), (282.1 -> 132.9)	4.57
Fumaric acid	C00122	(115.0 -> 71.0)	13.8
L-Kynurenine	C00328	(207.1 -> 190), (207.1 -> 144.0)	4.11
Isoleucine	C00407	(130.0 -> 45.0)	2.19
trans-4-Hydroxy-L-proline	C01157	(130.1 -> 128.0), (130.1 -> 66.0)	2.38
Proline	C00148	(114.0 -> 68.1), (114.0 -> 45.2)	1.46
Creatinine	C00791	(112.0 -> 41.2), (112.0 -> 68.1)	1.34
L-Citrulline	C00327	(174.1 -> 131.0), (174.1 -> 42.2)	1.36
METABOLITES_END
#END