#METABOLOMICS WORKBENCH xia_lab_20230725_084630 DATATRACK_ID:4184 STUDY_ID:ST002796 ANALYSIS_ID:AN004549 VERSION 1 CREATED_ON 07-26-2023 #PROJECT PR:PROJECT_TITLE MetaboAnalystR 4.0: towards a unified LC-MS workflow for global metabolomics PR:PROJECT_TYPE MS/MS qualification and MS quantification study PR:PROJECT_SUMMARY Here we introduce MetaboAnalystR 4.0, an open-source R package that have been PR:PROJECT_SUMMARY developed to provide a unified workflow to help address three key bioinformatics PR:PROJECT_SUMMARY bottlenecks facing LC-MS-based global metabolomics, including: 1) auto-optimized PR:PROJECT_SUMMARY LC-MS spectral processing for feature detection and quantification; 2) PR:PROJECT_SUMMARY streamlined MS/MS spectral deconvolution and compound annotation coupled with PR:PROJECT_SUMMARY comprehensive spectral reference databases (~1.5 million MS2 spectra); 3) a PR:PROJECT_SUMMARY sensitive functional interpretation module for functional analysis directly from PR:PROJECT_SUMMARY LC-MS and MS/MS results. During our validation case studies in comparison with PR:PROJECT_SUMMARY other well-established approaches, MetaboAnalystR 4.0 has identified > 10% PR:PROJECT_SUMMARY more high-quality MS and MS/MS features; it has also significantly increased PR:PROJECT_SUMMARY true positive rate of identification (> 40%) without increasing false PR:PROJECT_SUMMARY positives using both data-dependent acquisition (DDA) and data-independent PR:PROJECT_SUMMARY acquisition (DIA) datasets; finally, pathway enrichment analysis integrating PR:PROJECT_SUMMARY LC-MS and MS/MS spectra from COVID-19 datasets has produced results that are PR:PROJECT_SUMMARY better aligned with literature report. PR:INSTITUTE McGill University PR:DEPARTMENT Faculty of Agricultural and Environmental Sciences PR:LABORATORY Xia Lab, Institute of Parasitology PR:LAST_NAME Xia PR:FIRST_NAME Jeff PR:ADDRESS Macdonald Campus, McGill University 21,111 Lakeshore Road PR:EMAIL jeff.xia@mcgill.ca PR:PHONE 5146605018 PR:FUNDING_SOURCE NIH, TIMIC, Genome Canada, Génome Québec PR:DOI http://dx.doi.org/10.21228/M88Q6W PR:CONTRIBUTORS Zhiqiang Pang, Lei Xu, Charles Viau #STUDY ST:STUDY_TITLE Comparison of different blood samples (whole blood, serum and plasma) ST:STUDY_TYPE Untargeted Metabolomics ST:STUDY_SUMMARY To evaluate the performance of compounds annotation in real biological samples, ST:STUDY_SUMMARY we conducted LC-MS/MS based metabolomics including both DDA and SWATH-DIA on ST:STUDY_SUMMARY paired blood samples of different types (plasma, serum and whole blood) and ST:STUDY_SUMMARY compared their chemical differences. ST:INSTITUTE McGill University ST:DEPARTMENT Faculty of Agricultural and Environmental Sciences ST:LABORATORY Xia Lab, Institute of Parasitology ST:LAST_NAME Xia ST:FIRST_NAME Jeff ST:ADDRESS Macdonald Campus, McGill University 21,111 Lakeshore Road ST:EMAIL jeff.xia@mcgill.ca ST:PHONE 5143988668 ST:SUBMIT_DATE 2023-07-25 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 22-32 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS PLASMA01_C18neg PLASMA01_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA01_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA02_C18neg PLASMA02_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA02_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA03_C18neg PLASMA03_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA03_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA05_C18neg PLASMA05_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA05_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA06_C18neg PLASMA06_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA06_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA07_C18neg PLASMA07_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA07_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA08_C18neg PLASMA08_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA08_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA09_C18neg PLASMA09_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA09_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA10_C18neg PLASMA10_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA10_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA11_C18neg PLASMA11_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA11_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA12_C18neg PLASMA12_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA12_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA13_C18neg PLASMA13_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA13_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA14_C18neg PLASMA14_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA14_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA15_C18neg PLASMA15_C18neg Mode:C18 Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA15_C18neg.mzML SUBJECT_SAMPLE_FACTORS QC1_C18neg QC1_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC1_C18neg.mzML SUBJECT_SAMPLE_FACTORS QC2_C18neg QC2_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC2_C18neg.mzML SUBJECT_SAMPLE_FACTORS QC3_C18neg QC3_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC3_C18neg.mzML SUBJECT_SAMPLE_FACTORS QC4_C18neg QC4_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC4_C18neg.mzML SUBJECT_SAMPLE_FACTORS QC5_C18neg QC5_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC5_C18neg.mzML SUBJECT_SAMPLE_FACTORS QC6_C18neg QC6_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC6_C18neg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN1_01_C18neg QCDDA_SCAN1_01_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN1_01_C18neg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN1_02_C18neg QCDDA_SCAN1_02_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN1_02_C18neg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN2_01_C18neg QCDDA_SCAN2_01_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN2_01_C18neg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN2_02_C18neg QCDDA_SCAN2_02_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN2_02_C18neg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN3_01_C18neg QCDDA_SCAN3_01_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN3_01_C18neg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN3_02_C18neg QCDDA_SCAN3_02_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN3_02_C18neg.mzML SUBJECT_SAMPLE_FACTORS QCDIA_01_C18neg QCDIA_01_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_01_C18neg.mzML SUBJECT_SAMPLE_FACTORS QCDIA_02_C18neg QCDIA_02_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_02_C18neg.mzML SUBJECT_SAMPLE_FACTORS QCDIA_03_C18neg QCDIA_03_C18neg Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_03_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_NEG01 WB_SERUM_PLASMA_TargetedDDMSC18_NEG01 Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_NEG01.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_NEG02 WB_SERUM_PLASMA_TargetedDDMSC18_NEG02 Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_NEG02.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_NEG03 WB_SERUM_PLASMA_TargetedDDMSC18_NEG03 Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_NEG03.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_NEG04 WB_SERUM_PLASMA_TargetedDDMSC18_NEG04 Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_NEG04.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_NEG11 WB_SERUM_PLASMA_TargetedDDMSC18_NEG11 Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_NEG11.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_NEG12 WB_SERUM_PLASMA_TargetedDDMSC18_NEG12 Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_NEG12.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_NEG13 WB_SERUM_PLASMA_TargetedDDMSC18_NEG13 Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_NEG13.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_NEG14 WB_SERUM_PLASMA_TargetedDDMSC18_NEG14 Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_NEG14.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_NEGall WB_SERUM_PLASMA_TargetedDDMSC18_NEGall Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_NEGall.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_NEGall2 WB_SERUM_PLASMA_TargetedDDMSC18_NEGall2 Mode:C18 Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_NEGall2.mzML SUBJECT_SAMPLE_FACTORS SERUM01_C18neg SERUM01_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM01_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM02_C18neg SERUM02_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM02_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM03_C18neg SERUM03_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM03_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM04_C18neg SERUM04_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM04_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM05_C18neg SERUM05_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM05_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM06_C18neg SERUM06_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM06_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM07_C18neg SERUM07_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM07_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM08_C18neg SERUM08_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM08_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM09_C18neg SERUM09_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM09_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM10_C18neg SERUM10_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM10_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM11_C18neg SERUM11_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM11_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM12_C18neg SERUM12_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM12_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM13_C18neg SERUM13_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM13_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM14_C18neg SERUM14_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM14_C18neg.mzML SUBJECT_SAMPLE_FACTORS SERUM15_C18neg SERUM15_C18neg Mode:C18 Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM15_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB01_C18neg WB01_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB01_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB02_C18neg WB02_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB02_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB03_C18neg WB03_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB03_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB04_C18neg WB04_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB04_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB05_C18neg WB05_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB05_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB06_C18neg WB06_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB06_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB07_C18neg WB07_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB07_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB08_C18neg WB08_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB08_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB09_C18neg WB09_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB09_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB10_C18neg WB10_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB10_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB11_C18neg WB11_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB11_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB12_C18neg WB12_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB12_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB13_C18neg WB13_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB13_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB14_C18neg WB14_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB14_C18neg.mzML SUBJECT_SAMPLE_FACTORS WB15_C18neg WB15_C18neg Mode:C18 Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB15_C18neg.mzML SUBJECT_SAMPLE_FACTORS PLASMA01_C18pos PLASMA01_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA01_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA02_C18pos PLASMA02_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA02_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA03_C18pos PLASMA03_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA03_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA05_C18pos PLASMA05_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA05_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA06_C18pos PLASMA06_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA06_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA07_C18pos PLASMA07_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA07_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA08_C18pos PLASMA08_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA08_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA09_C18pos PLASMA09_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA09_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA10_C18pos PLASMA10_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA10_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA11_C18pos PLASMA11_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA11_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA12_C18pos PLASMA12_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA12_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA13_C18pos PLASMA13_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA13_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA14_C18pos PLASMA14_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA14_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA15_C18pos PLASMA15_C18pos Mode:C18 Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA15_C18pos.mzML SUBJECT_SAMPLE_FACTORS QC1_C18pos QC1_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC1_C18pos.mzML SUBJECT_SAMPLE_FACTORS QC2_C18pos QC2_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC2_C18pos.mzML SUBJECT_SAMPLE_FACTORS QC3_C18pos QC3_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC3_C18pos.mzML SUBJECT_SAMPLE_FACTORS QC4_C18pos QC4_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC4_C18pos.mzML SUBJECT_SAMPLE_FACTORS QC5_C18pos QC5_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC5_C18pos.mzML SUBJECT_SAMPLE_FACTORS QC6_C18pos QC6_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC6_C18pos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN1_01_C18pos QCDDA_SCAN1_01_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN1_01_C18pos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN1_02_C18pos QCDDA_SCAN1_02_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN1_02_C18pos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN2_01_C18pos QCDDA_SCAN2_01_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN2_01_C18pos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN2_02_C18pos QCDDA_SCAN2_02_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN2_02_C18pos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN3_01_C18pos QCDDA_SCAN3_01_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN3_01_C18pos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN3_02_C18pos QCDDA_SCAN3_02_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN3_02_C18pos.mzML SUBJECT_SAMPLE_FACTORS QCDIA_01_C18pos QCDIA_01_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_01_C18pos.mzML SUBJECT_SAMPLE_FACTORS QCDIA_02_C18pos QCDIA_02_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_02_C18pos.mzML SUBJECT_SAMPLE_FACTORS QCDIA_03_C18pos QCDIA_03_C18pos Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_03_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_POS01 WB_SERUM_PLASMA_TargetedDDMSC18_POS01 Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_POS01.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_POS02 WB_SERUM_PLASMA_TargetedDDMSC18_POS02 Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_POS02.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_POS03 WB_SERUM_PLASMA_TargetedDDMSC18_POS03 Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_POS03.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_POS11 WB_SERUM_PLASMA_TargetedDDMSC18_POS11 Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_POS11.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_POS12 WB_SERUM_PLASMA_TargetedDDMSC18_POS12 Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_POS12.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_POS13 WB_SERUM_PLASMA_TargetedDDMSC18_POS13 Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_POS13.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_POS21 WB_SERUM_PLASMA_TargetedDDMSC18_POS21 Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_POS21.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_POS22 WB_SERUM_PLASMA_TargetedDDMSC18_POS22 Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_POS22.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_POS23 WB_SERUM_PLASMA_TargetedDDMSC18_POS23 Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_POS23.mzML SUBJECT_SAMPLE_FACTORS WB_SERUM_PLASMA_TargetedDDMSC18_POSall WB_SERUM_PLASMA_TargetedDDMSC18_POSall Mode:C18 Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_SERUM_PLASMA_TargetedDDMSC18_POSall.mzML SUBJECT_SAMPLE_FACTORS SERUM01_C18pos SERUM01_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM01_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM02_C18pos SERUM02_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM02_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM03_C18pos SERUM03_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM03_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM04_C18pos SERUM04_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM04_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM05_C18pos SERUM05_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM05_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM06_C18pos SERUM06_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM06_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM07_C18pos SERUM07_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM07_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM08_C18pos SERUM08_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM08_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM09_C18pos SERUM09_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM09_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM10_C18pos SERUM10_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM10_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM11_C18pos SERUM11_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM11_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM12_C18pos SERUM12_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM12_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM13_C18pos SERUM13_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM13_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM14_C18pos SERUM14_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM14_C18pos.mzML SUBJECT_SAMPLE_FACTORS SERUM15_C18pos SERUM15_C18pos Mode:C18 Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM15_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB01_C18pos WB01_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB01_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB02_C18pos WB02_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB02_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB03_C18pos WB03_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB03_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB04_C18pos WB04_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB04_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB05_C18pos WB05_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB05_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB06_C18pos WB06_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB06_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB07_C18pos WB07_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB07_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB08_C18pos WB08_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB08_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB09_C18pos WB09_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB09_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB10_C18pos WB10_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB10_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB11_C18pos WB11_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB11_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB12_C18pos WB12_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB12_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB13_C18pos WB13_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB13_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB14_C18pos WB14_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB14_C18pos.mzML SUBJECT_SAMPLE_FACTORS WB15_C18pos WB15_C18pos Mode:C18 Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB15_C18pos.mzML SUBJECT_SAMPLE_FACTORS PLASMA01_HILICneg PLASMA01_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA01_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA02_HILICneg PLASMA02_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA02_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA03_HILICneg PLASMA03_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA03_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA05_HILICneg PLASMA05_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA05_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA06_HILICneg PLASMA06_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA06_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA07_HILICneg PLASMA07_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA07_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA08_HILICneg PLASMA08_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA08_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA09_HILICneg PLASMA09_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA09_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA10_HILICneg PLASMA10_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA10_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA11_HILICneg PLASMA11_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA11_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA12_HILICneg PLASMA12_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA12_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA13_HILICneg PLASMA13_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA13_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA14_HILICneg PLASMA14_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA14_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA15_HILICneg PLASMA15_HILICneg Mode:HILIC Negative | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA15_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QC1_HILICneg QC1_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC1_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QC2_HILICneg QC2_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC2_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QC3_HILICneg QC3_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC3_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QC4_HILICneg QC4_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC4_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QC5_HILICneg QC5_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC5_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QC6_HILICneg QC6_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC6_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN1_01_HILICneg QCDDA_SCAN1_01_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN1_01_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN1_02_HILICneg QCDDA_SCAN1_02_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN1_02_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN2_01_HILICneg QCDDA_SCAN2_01_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN2_01_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN2_02_HILICneg QCDDA_SCAN2_02_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN2_02_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN3_01_HILICneg QCDDA_SCAN3_01_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN3_01_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN3_02_HILICneg QCDDA_SCAN3_02_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN3_02_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QCDIA_01_HILICneg QCDIA_01_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_01_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QCDIA_02_HILICneg QCDIA_02_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_02_HILICneg.mzML SUBJECT_SAMPLE_FACTORS QCDIA_03_HILICneg QCDIA_03_HILICneg Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_03_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICneg_targetedDDA01 WB_Serum_Plasma_HILICneg_targetedDDA01 Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICneg_targetedDDA01.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICneg_targetedDDA02 WB_Serum_Plasma_HILICneg_targetedDDA02 Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICneg_targetedDDA02.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICneg_targetedDDA03 WB_Serum_Plasma_HILICneg_targetedDDA03 Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICneg_targetedDDA03.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICneg_targetedDDA11 WB_Serum_Plasma_HILICneg_targetedDDA11 Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICneg_targetedDDA11.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICneg_targetedDDA12 WB_Serum_Plasma_HILICneg_targetedDDA12 Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICneg_targetedDDA12.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICneg_targetedDDA13 WB_Serum_Plasma_HILICneg_targetedDDA13 Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICneg_targetedDDA13.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICneg_targetedDDA_HERMES1 WB_Serum_Plasma_HILICneg_targetedDDA_HERMES1 Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICneg_targetedDDA_HERMES1.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICneg_targetedDDA_HERMES2 WB_Serum_Plasma_HILICneg_targetedDDA_HERMES2 Mode:HILIC Negative | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICneg_targetedDDA_HERMES2.mzML SUBJECT_SAMPLE_FACTORS SERUM01_HILICneg SERUM01_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM01_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM02_HILICneg SERUM02_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM02_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM03_HILICneg SERUM03_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM03_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM04_HILICneg SERUM04_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM04_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM05_HILICneg SERUM05_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM05_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM06_HILICneg SERUM06_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM06_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM07_HILICneg SERUM07_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM07_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM08_HILICneg SERUM08_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM08_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM09_HILICneg SERUM09_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM09_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM10_HILICneg SERUM10_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM10_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM11_HILICneg SERUM11_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM11_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM12_HILICneg SERUM12_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM12_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM13_HILICneg SERUM13_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM13_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM14_HILICneg SERUM14_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM14_HILICneg.mzML SUBJECT_SAMPLE_FACTORS SERUM15_HILICneg SERUM15_HILICneg Mode:HILIC Negative | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM15_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB01_HILICneg WB01_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB01_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB02_HILICneg WB02_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB02_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB03_HILICneg WB03_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB03_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB04_HILICneg WB04_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB04_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB05_HILICneg WB05_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB05_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB06_HILICneg WB06_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB06_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB07_HILICneg WB07_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB07_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB08_HILICneg WB08_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB08_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB09_HILICneg WB09_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB09_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB10_HILICneg WB10_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB10_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB11_HILICneg WB11_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB11_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB12_HILICneg WB12_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB12_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB13_HILICneg WB13_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB13_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB14_HILICneg WB14_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB14_HILICneg.mzML SUBJECT_SAMPLE_FACTORS WB15_HILICneg WB15_HILICneg Mode:HILIC Negative | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB15_HILICneg.mzML SUBJECT_SAMPLE_FACTORS PLASMA01_HILICpos PLASMA01_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA01_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA02_HILICpos PLASMA02_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA02_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA03_HILICpos PLASMA03_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA03_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA05_HILICpos PLASMA05_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA05_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA06_HILICpos PLASMA06_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA06_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA07_HILICpos PLASMA07_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA07_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA08_HILICpos PLASMA08_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA08_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA09_HILICpos PLASMA09_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA09_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA10_HILICpos PLASMA10_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA10_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA11_HILICpos PLASMA11_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA11_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA12_HILICpos PLASMA12_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA12_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA13_HILICpos PLASMA13_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA13_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA14_HILICpos PLASMA14_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA14_HILICpos.mzML SUBJECT_SAMPLE_FACTORS PLASMA15_HILICpos PLASMA15_HILICpos Mode:HILIC Positive | Blood_type:Plasma MS_mode=MS1; RAW_FILE_NAME=PLASMA15_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QC1_HILICpos QC1_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC1_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QC2_HILICpos QC2_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC2_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QC3_HILICpos QC3_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC3_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QC4_HILICpos QC4_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC4_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QC5_HILICpos QC5_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC5_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QC6_HILICpos QC6_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS1; RAW_FILE_NAME=QC6_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN1_01_HILICpos QCDDA_SCAN1_01_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN1_01_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN1_02_HILICpos QCDDA_SCAN1_02_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN1_02_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN2_01_HILICpos QCDDA_SCAN2_01_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN2_01_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN2_02_HILICpos QCDDA_SCAN2_02_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN2_02_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN3_01_HILICpos QCDDA_SCAN3_01_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN3_01_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QCDDA_SCAN3_02_HILICpos QCDDA_SCAN3_02_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=QCDDA_SCAN3_02_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QCDIA_01_HILICpos QCDIA_01_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_01_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QCDIA_02_HILICpos QCDIA_02_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_02_HILICpos.mzML SUBJECT_SAMPLE_FACTORS QCDIA_03_HILICpos QCDIA_03_HILICpos Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS SWATH-DIA; RAW_FILE_NAME=QCDIA_03_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICpos_targetedDDA01 WB_Serum_Plasma_HILICpos_targetedDDA01 Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICpos_targetedDDA01.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICpos_targetedDDA02 WB_Serum_Plasma_HILICpos_targetedDDA02 Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICpos_targetedDDA02.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICpos_targetedDDA03 WB_Serum_Plasma_HILICpos_targetedDDA03 Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICpos_targetedDDA03.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICpos_targetedDDA04 WB_Serum_Plasma_HILICpos_targetedDDA04 Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICpos_targetedDDA04.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICpos_targetedDDA11 WB_Serum_Plasma_HILICpos_targetedDDA11 Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICpos_targetedDDA11.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICpos_targetedDDA12 WB_Serum_Plasma_HILICpos_targetedDDA12 Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICpos_targetedDDA12.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICpos_targetedDDA13 WB_Serum_Plasma_HILICpos_targetedDDA13 Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICpos_targetedDDA13.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICpos_targetedDDA_HERMES1 WB_Serum_Plasma_HILICpos_targetedDDA_HERMES1 Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICpos_targetedDDA_HERMES1.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICpos_targetedDDA_HERMES2 WB_Serum_Plasma_HILICpos_targetedDDA_HERMES2 Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICpos_targetedDDA_HERMES2.mzML SUBJECT_SAMPLE_FACTORS WB_Serum_Plasma_HILICpos_targetedDDA_HERMES3 WB_Serum_Plasma_HILICpos_targetedDDA_HERMES3 Mode:HILIC Positive | Blood_type:QC MS_mode=MS/MS DDA; RAW_FILE_NAME=WB_Serum_Plasma_HILICpos_targetedDDA_HERMES3.mzML SUBJECT_SAMPLE_FACTORS SERUM01_HILICpos SERUM01_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM01_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM02_HILICpos SERUM02_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM02_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM03_HILICpos SERUM03_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM03_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM04_HILICpos SERUM04_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM04_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM05_HILICpos SERUM05_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM05_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM06_HILICpos SERUM06_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM06_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM07_HILICpos SERUM07_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM07_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM08_HILICpos SERUM08_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM08_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM09_HILICpos SERUM09_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM09_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM10_HILICpos SERUM10_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM10_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM11_HILICpos SERUM11_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM11_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM12_HILICpos SERUM12_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM12_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM13_HILICpos SERUM13_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM13_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM14_HILICpos SERUM14_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM14_HILICpos.mzML SUBJECT_SAMPLE_FACTORS SERUM15_HILICpos SERUM15_HILICpos Mode:HILIC Positive | Blood_type:SERUM MS_mode=MS1; RAW_FILE_NAME=SERUM15_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB01_HILICpos WB01_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB01_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB02_HILICpos WB02_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB02_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB03_HILICpos WB03_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB03_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB04_HILICpos WB04_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB04_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB05_HILICpos WB05_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB05_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB06_HILICpos WB06_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB06_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB07_HILICpos WB07_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB07_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB08_HILICpos WB08_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB08_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB09_HILICpos WB09_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB09_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB10_HILICpos WB10_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB10_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB11_HILICpos WB11_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB11_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB12_HILICpos WB12_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB12_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB13_HILICpos WB13_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB13_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB14_HILICpos WB14_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB14_HILICpos.mzML SUBJECT_SAMPLE_FACTORS WB15_HILICpos WB15_HILICpos Mode:HILIC Positive | Blood_type:Whole_Blood MS_mode=MS1; RAW_FILE_NAME=WB15_HILICpos.mzML #COLLECTION CO:COLLECTION_SUMMARY Blood samples were collected and processed to gather whole blood, serum and CO:COLLECTION_SUMMARY plasma CO:SAMPLE_TYPE Blood (whole) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Healthy volunteers were recruited. About five milliliters of venous whole blood TR:TREATMENT_SUMMARY were drawn from each volunteer into a BD K2-EDTA Trace Element free Vacutainer. TR:TREATMENT_SUMMARY No other treatment applied. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The three blood sample types (WB, serum and plasma) were thawed on ice for 1 SP:SAMPLEPREP_SUMMARY hour, and then vortexed for 30 seconds to ensure homogeneity. 100 µl of each SP:SAMPLEPREP_SUMMARY sample type was transferred to a 1.5 ml Eppendorf microcentrifuge tube, to which SP:SAMPLEPREP_SUMMARY 400 µl of -20°C 1:1 ACN:MeOH (v/v) was added. Samples were next vortexed for SP:SAMPLEPREP_SUMMARY 60 seconds and stored at -20°C for 1 hour. Samples were then centrifuged at SP:SAMPLEPREP_SUMMARY 16,100 × g for 10 minutes at 4°C. The supernatants were collected (250 µl) SP:SAMPLEPREP_SUMMARY and filtered by centrifugation using 0.2 µm Nanosep centrifugal filters (PALL SP:SAMPLEPREP_SUMMARY Life Sciences) at 14,000 × g for 15 minutes at 4°C. Filtered samples (120 µl) SP:SAMPLEPREP_SUMMARY were then transferred to LC-MS vials equipped with 250 µl glass inserts and run SP:SAMPLEPREP_SUMMARY in the LC-MS. A Quality Control (QC) sample was made by pooling equal volumes SP:SAMPLEPREP_SUMMARY from each filtered all samples supernatant into one 1.5 ml Eppendorf SP:SAMPLEPREP_SUMMARY microcentrifuge tube. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACTION_METHOD Organic reagent SP:EXTRACT_STORAGE On ice #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY For HILIC chromatography, the composition of the mobile phases A and B were 50% CH:CHROMATOGRAPHY_SUMMARY ACN in water with 5 mmol/L NH4AC and 95% ACN in Water with 5mmol/L NH4AC, CH:CHROMATOGRAPHY_SUMMARY respectively. CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Thermo Accucore HILIC (100 x 2.1mm,2.6um) CH:COLUMN_TEMPERATURE 35 CH:FLOW_GRADIENT 0-3min:1%A; 3-20min:50%A; 20-21min: 95%A; 21-24min:95%A; 24-25min:1%A CH:FLOW_RATE 0.4 mL/min CH:SOLVENT_A 50% acetonitrile/50% water; 5 mM ammonium acetate CH:SOLVENT_B 95% acetonitrile/5% water; 5 mM ammonium acetate CH:CHROMATOGRAPHY_TYPE HILIC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS for HILIC a voltage of 4 keV in positive mode and 3.8 keV in negative mode were MS:MS_COMMENTS used MS:ION_MODE POSITIVE and NEGATIVE MS:MS_RESULTS_FILE ST002796_AN004549_Results.txt UNITS:Peak area Has m/z:Yes Has RT:Yes RT units:Seconds #END