#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