#METABOLOMICS WORKBENCH FernandezGarcia_M_20220701_052027 DATATRACK_ID:3325 STUDY_ID:ST002285 ANALYSIS_ID:AN003734 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 CE separation for charged metabolites which ionice in positive mode, in acid CH:CHROMATOGRAPHY_SUMMARY media. CH:CHROMATOGRAPHY_TYPE CE CH:INSTRUMENT_NAME Agilent 7100 CE CH:COLUMN_NAME bare-fused silica capillary (96 cm, 50 um i.d.), Agilent Technologies CH:COLUMN_TEMPERATURE 20 ºC CH:INJECTION_TEMPERATURE 20 ºC CH:INTERNAL_STANDARD methionine sulfone CH:SAMPLE_INJECTION 50 mbar for 100 s hydrodynamical injection stacking of 100 mbar for 20 s CH:CAPILLARY_VOLTAGE 30 kV CH:RUNNING_BUFFER 1M formic acid in MeOH:H2O 1:9 (v/v) CH:SHEATH_LIQUID 100 mL of Milli-Q water with 100 mL of 100% methanol (Thermo Fisher Scientific, CH:SHEATH_LIQUID Loughborough, UK), 4 µL of concentrated formic acid, 10 µL of 5 mM purine and CH:SHEATH_LIQUID 10 µL 2.5 hexakis (1H,1H,3H-tetrafluoropropoxy)phosphazene HP722 (CE-TOF/MS CH:SHEATH_LIQUID reference masses, Agilent Technologies, CA, USA) #ANALYSIS AN:ANALYSIS_TYPE MS AN:DATA_FORMAT .D #MS MS:INSTRUMENT_NAME Agilent 6224 TOF MS:INSTRUMENT_TYPE TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS mass range mz 68 to 1000 mass correction mz 121.0509 and 922.0098 mass MS:MS_COMMENTS calibrators Acq mode full scan AMH Profinder B.08.00 for feature deconvolution MS:MS_COMMENTS CMM Batch Search and in house library of standards with RMT MS:CAPILLARY_VOLTAGE 3500 V MS:DRY_GAS_FLOW 10 L/min MS:DRY_GAS_TEMP 200 ºC MS:FRAGMENT_VOLTAGE 125 V MS:NEBULIZER 10 psi MS:OCTPOLE_VOLTAGE 750 V MS:MS_RESULTS_FILE ST002285_AN003734_Results.txt UNITS:Abundances Has m/z:Yes Has RT:Yes RT units:Minutes #END