#METABOLOMICS WORKBENCH sokim1280_20230126_192540 DATATRACK_ID:3709 STUDY_ID:ST002548 ANALYSIS_ID:AN004196 PROJECT_ID:PR001641
VERSION             	1
CREATED_ON             	March 28, 2023, 3:14 pm
#PROJECT
PR:PROJECT_TITLE                 	Myeloperoxidase oxidants elicit distinct metabolomic responses in airway
PR:PROJECT_TITLE                 	epithelial cells and reveal early cystic fibrosis disease risk factors
PR:PROJECT_SUMMARY               	Myeloperoxidase (MPO) is released by neutrophils in inflamed tissues. MPO
PR:PROJECT_SUMMARY               	oxidizes chloride, bromide, and thiocyanate to produce hypochlorous acid (HOCl),
PR:PROJECT_SUMMARY               	hypobromous acid (HOBr), or hypothiocyanous acid (HOSCN), respectively. These
PR:PROJECT_SUMMARY               	oxidants are toxic to pathogens, but they also react with host cells and may
PR:PROJECT_SUMMARY               	elicit redox signaling or cause collateral damage. Here, we investigated how
PR:PROJECT_SUMMARY               	equal dose-rate exposures of MPO-derived oxidants differentially impact the
PR:PROJECT_SUMMARY               	metabolome of human airway epithelial cells (AEC). AECs are important targets of
PR:PROJECT_SUMMARY               	oxidative stress in inflammatory lung diseases such as cystic fibrosis (CF) and
PR:PROJECT_SUMMARY               	chronic obstructive pulmonary disease, in which neutrophils, MPO, and reactive
PR:PROJECT_SUMMARY               	oxygen species are increased compared to healthy individuals. HOSCN-exposed
PR:PROJECT_SUMMARY               	cells were viable after 24 h of continuous oxidant exposure, while HOBr and HOCl
PR:PROJECT_SUMMARY               	exposures were cytotoxic by 24 h. Untargeted metabolomics revealed MPO-derived
PR:PROJECT_SUMMARY               	oxidants caused distinct metabolic effects in AECs. HOCl and HOBr were more
PR:PROJECT_SUMMARY               	similar to each other than either was to HOSCN, and all differed from hydrogen
PR:PROJECT_SUMMARY               	peroxide. We noted methionine oxidation products, methionine sulfoxide and
PR:PROJECT_SUMMARY               	dehydromethionine, were significantly increased compared to controls only in
PR:PROJECT_SUMMARY               	HOCl- and HOBr-exposed cells. Furthermore, the presence of these metabolites in
PR:PROJECT_SUMMARY               	bronchoalveolar lavage fluid from 5 years-olds with CF (n=27) was associated
PR:PROJECT_SUMMARY               	with increased neutrophilic inflammation and bronchiectasis. This indicates that
PR:PROJECT_SUMMARY               	HOCl and/or HOBr are likely present in early CF airways and either contribute to
PR:PROJECT_SUMMARY               	disease progression or associate with a related pathophysiological process. We
PR:PROJECT_SUMMARY               	anticipate this oxidant exposure model can be used to identify additional novel
PR:PROJECT_SUMMARY               	metabolites which could serve as candidate biomarkers of MPO-driven inflammation
PR:PROJECT_SUMMARY               	in human disease.
PR:INSTITUTE                     	Emory University
PR:DEPARTMENT                    	Pediatrics
PR:LABORATORY                    	Joshua Chandler, PhD
PR:LAST_NAME                     	Chandler
PR:FIRST_NAME                    	Joshua
PR:ADDRESS                       	2015 Uppergate Drive, Atlanta, GA 30322
PR:EMAIL                         	Joshua.chandler@emory.edu
PR:PHONE                         	404-727-3536
PR:CONTRIBUTORS                  	Joshua Chandler, Susan Kim
#STUDY
ST:STUDY_TITLE                   	Equal Flux of Oxidants study
ST:STUDY_TYPE                    	untargeted MS
ST:STUDY_SUMMARY                 	To study the global metabolic impact of myeloperoxidase-derived oxidants on
ST:STUDY_SUMMARY                 	airway epithelial cells, we developed an in vitro oxidant exposure model.
ST:STUDY_SUMMARY                 	Experiments were conducted with BEAS-2B cells that were supplemented with
ST:STUDY_SUMMARY                 	100pg/ml recombinant epidermal growth factor and 0.1% FBS prior to oxidant
ST:STUDY_SUMMARY                 	exposure. Measurements were taken at 2, and 6 hours for: (i) H2O2, (ii) HOCl,
ST:STUDY_SUMMARY                 	(iii) HOBr, (iv) HOSCN, and (v) control. Additional measurements were taken at
ST:STUDY_SUMMARY                 	24 hours for HOSCN and control only.
ST:INSTITUTE                     	Emory University
ST:DEPARTMENT                    	Pediatrics
ST:LABORATORY                    	Joshua Chandler, PhD
ST:LAST_NAME                     	Chandler
ST:FIRST_NAME                    	Joshua
ST:ADDRESS                       	2015 Uppergate Drive, Atlanta, GA 30322
ST:EMAIL                         	Joshua.chandler@emory.edu
ST:PHONE                         	404-727-3536
ST:NUM_GROUPS                    	5 (Control, H2O2, HOBr, HOCl, and HOSCN)
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:CELL_BIOSOURCE_OR_SUPPLIER    	American Type Culture Collection
SU:CELL_STRAIN_DETAILS           	BEAS-2B (CRL-9609)
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	blank	20210223_001_blank-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_001_blank-pos.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210223_002_blank-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_002_blank-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210223_003_SRM1950-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_003_SRM1950-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210223_004_SRM1950-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_004_SRM1950-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210223_005_QC-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_005_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210223_006_QC-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_006_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210223_007_SRM1950-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_007_SRM1950-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210223_008_SRM1950-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_008_SRM1950-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210223_009_QC-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_009_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210223_010_QC-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_010_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210223_011_SRM1950-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_011_SRM1950-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210223_012_SRM1950-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_012_SRM1950-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210223_013_QC-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_013_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210223_014_QC-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_014_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210223_015_QC_ddMS2-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_015_QC_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210223_016_QC_ddMS2-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_016_QC_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210223_017_QC_ddMS2_EX-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_017_QC_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210223_018_QC_ddMS2_EX-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_018_QC_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210223_019_SRM1950_ddMS2-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_019_SRM1950_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210223_020_SRM1950_ddMS2-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_020_SRM1950_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210223_021_SRM1950_ddMS2_EX-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_021_SRM1950_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210223_022_SRM1950_ddMS2_EX-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_022_SRM1950_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210223_023_QC_Con_ddMS2-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_023_QC_Con_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210223_024_QC_Con_ddMS2-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_024_QC_Con_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210223_025_QC_Con_ddMS2_EX-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_025_QC_Con_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210223_026_QC_Con_ddMS2_EX-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_026_QC_Con_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210223_027_QC_H2O2_ddMS2-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_027_QC_H2O2_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210223_028_QC_H2O2_ddMS2-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_028_QC_H2O2_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210223_029_QC_H2O2_ddMS2_EX-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_029_QC_H2O2_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210223_030_QC_H2O2_ddMS2_EX-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_030_QC_H2O2_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210223_031_QC_HOBr_ddMS2-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_031_QC_HOBr_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210223_032_QC_HOBr_ddMS2-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_032_QC_HOBr_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210223_033_QC_HOBr_ddMS2_EX-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_033_QC_HOBr_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210223_034_QC_HOBr_ddMS2_EX-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_034_QC_HOBr_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210223_035_QC_HOCl_ddMS2-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_035_QC_HOCl_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210223_036_QC_HOCl_ddMS2-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_036_QC_HOCl_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210223_037_QC_HOCl_ddMS2_EX-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_037_QC_HOCl_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210223_038_QC_HOCl_ddMS2_EX-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_038_QC_HOCl_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210223_039_QC_HOSCN_ddMS2-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_039_QC_HOSCN_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210223_040_QC_HOSCN_ddMS2-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_040_QC_HOSCN_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210223_041_QC_HOSCN_ddMS2_EX-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_041_QC_HOSCN_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210223_042_QC_HOSCN_ddMS2_EX-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_042_QC_HOSCN_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210223_043_blank-pos	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_043_blank-pos.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210223_044_blank-neg	Treatment:n/a | Time:n/a	Batch=StartBatch; RAW_FILE_NAME=20210223_044_blank-neg.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210224_045_blank-pos	Treatment:n/a | Time:n/a	Batch=Batch01; RAW_FILE_NAME=20210224_045_blank-pos.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210224_046_blank-neg	Treatment:n/a | Time:n/a	Batch=Batch01; RAW_FILE_NAME=20210224_046_blank-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210224_047_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch01; RAW_FILE_NAME=20210224_047_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210224_048_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch01; RAW_FILE_NAME=20210224_048_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	G08	20210224_049_G08_HOCl_6h-pos	Treatment:HOCl | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_049_G08_HOCl_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	G08	20210224_050_G08_HOCl_6h-neg	Treatment:HOCl | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_050_G08_HOCl_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I05	20210224_051_I05_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_051_I05_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I05	20210224_052_I05_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_052_I05_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E12	20210224_053_E12_HOSCN_24h-pos	Treatment:HOSCN | Time:24h	Batch=Batch01; RAW_FILE_NAME=20210224_053_E12_HOSCN_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E12	20210224_054_E12_HOSCN_24h-neg	Treatment:HOSCN | Time:24h	Batch=Batch01; RAW_FILE_NAME=20210224_054_E12_HOSCN_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H06	20210224_055_H06_Con_6h-pos	Treatment:Control | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_055_H06_Con_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H06	20210224_056_H06_Con_6h-neg	Treatment:Control | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_056_H06_Con_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D04	20210224_057_D04_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_057_D04_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D04	20210224_058_D04_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_058_D04_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F07	20210224_059_F07_H2O2_6h-pos	Treatment:H2O2 | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_059_F07_H2O2_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F07	20210224_060_F07_H2O2_6h-neg	Treatment:H2O2 | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_060_F07_H2O2_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	A01	20210224_061_A01_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_061_A01_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	A01	20210224_062_A01_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_062_A01_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E06	20210224_063_E06_Con_6h-pos	Treatment:Control | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_063_E06_Con_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E06	20210224_064_E06_Con_6h-neg	Treatment:Control | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_064_E06_Con_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J05	20210224_065_J05_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_065_J05_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J05	20210224_066_J05_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_066_J05_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J10	20210224_067_J10_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_067_J10_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J10	20210224_068_J10_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_068_J10_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210224_069_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch01; RAW_FILE_NAME=20210224_069_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210224_070_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch01; RAW_FILE_NAME=20210224_070_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I08	20210224_071_I08_HOCl_6h-pos	Treatment:HOCl | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_071_I08_HOCl_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I08	20210224_072_I08_HOCl_6h-neg	Treatment:HOCl | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_072_I08_HOCl_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F02	20210224_073_F02_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_073_F02_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F02	20210224_074_F02_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_074_F02_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F06	20210224_075_F06_Con_6h-pos	Treatment:Control | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_075_F06_Con_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F06	20210224_076_F06_Con_6h-neg	Treatment:Control | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_076_F06_Con_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H08	20210224_077_H08_HOCl_6h-pos	Treatment:HOCl | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_077_H08_HOCl_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H08	20210224_078_H08_HOCl_6h-neg	Treatment:HOCl | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_078_H08_HOCl_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C07	20210224_079_C07_H2O2_6h-pos	Treatment:H2O2 | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_079_C07_H2O2_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C07	20210224_080_C07_H2O2_6h-neg	Treatment:H2O2 | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_080_C07_H2O2_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B04	20210224_081_B04_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_081_B04_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B04	20210224_082_B04_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_082_B04_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	A11	20210224_083_A11_Con_24h-pos	Treatment:Control | Time:24h	Batch=Batch01; RAW_FILE_NAME=20210224_083_A11_Con_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	A11	20210224_084_A11_Con_24h-neg	Treatment:Control | Time:24h	Batch=Batch01; RAW_FILE_NAME=20210224_084_A11_Con_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B01	20210224_085_B01_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_085_B01_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B01	20210224_086_B01_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_086_B01_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F01	20210224_087_F01_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_087_F01_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F01	20210224_088_F01_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch01; RAW_FILE_NAME=20210224_088_F01_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C09	20210224_089_C09_HOSCN_6h-pos	Treatment:HOSCN | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_089_C09_HOSCN_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C09	20210224_090_C09_HOSCN_6h-neg	Treatment:HOSCN | Time:6h	Batch=Batch01; RAW_FILE_NAME=20210224_090_C09_HOSCN_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210224_091_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch01; RAW_FILE_NAME=20210224_091_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210224_092_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch01; RAW_FILE_NAME=20210224_092_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210225_093_blank-pos	Treatment:n/a | Time:n/a	Batch=Batch02; RAW_FILE_NAME=20210225_093_blank-pos.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210225_094_blank-neg	Treatment:n/a | Time:n/a	Batch=Batch02; RAW_FILE_NAME=20210225_094_blank-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210225_095_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch02; RAW_FILE_NAME=20210225_095_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210225_096_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch02; RAW_FILE_NAME=20210225_096_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E11	20210225_097_E11_Con_24h-pos	Treatment:Control | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_097_E11_Con_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E11	20210225_098_E11_Con_24h-neg	Treatment:Control | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_098_E11_Con_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F03	20210225_099_F03_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_099_F03_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F03	20210225_100_F03_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_100_F03_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	A06	20210225_101_A06_Con_6h-pos	Treatment:Control | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_101_A06_Con_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	A06	20210225_102_A06_Con_6h-neg	Treatment:Control | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_102_A06_Con_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C06	20210225_103_C06_Con_6h-pos	Treatment:Control | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_103_C06_Con_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C06	20210225_104_C06_Con_6h-neg	Treatment:Control | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_104_C06_Con_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H03	20210225_105_H03_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_105_H03_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H03	20210225_106_H03_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_106_H03_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C12	20210225_107_C12_HOSCN_24h-pos	Treatment:HOSCN | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_107_C12_HOSCN_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C12	20210225_108_C12_HOSCN_24h-neg	Treatment:HOSCN | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_108_C12_HOSCN_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D05	20210225_109_D05_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_109_D05_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D05	20210225_110_D05_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_110_D05_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F08	20210225_111_F08_HOCl_6h-pos	Treatment:HOCl | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_111_F08_HOCl_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F08	20210225_112_F08_HOCl_6h-neg	Treatment:HOCl | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_112_F08_HOCl_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J06	20210225_113_J06_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_113_J06_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J06	20210225_114_J06_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_114_J06_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F12	20210225_115_F12_HOSCN_24h-pos	Treatment:HOSCN | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_115_F12_HOSCN_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F12	20210225_116_F12_HOSCN_24h-neg	Treatment:HOSCN | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_116_F12_HOSCN_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210225_117_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch02; RAW_FILE_NAME=20210225_117_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210225_118_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch02; RAW_FILE_NAME=20210225_118_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I02	20210225_119_I02_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_119_I02_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I02	20210225_120_I02_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_120_I02_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D03	20210225_121_D03_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_121_D03_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D03	20210225_122_D03_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_122_D03_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	G02	20210225_123_G02_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_123_G02_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	G02	20210225_124_G02_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch02; RAW_FILE_NAME=20210225_124_G02_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B09	20210225_125_B09_HOSCN_6h-pos	Treatment:HOSCN | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_125_B09_HOSCN_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B09	20210225_126_B09_HOSCN_6h-neg	Treatment:HOSCN | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_126_B09_HOSCN_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C10	20210225_127_C10_HOBr_6h-pos	Treatment:HOBr | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_127_C10_HOBr_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C10	20210225_128_C10_HOBr_6h-neg	Treatment:HOBr | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_128_C10_HOBr_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C03	20210225_129_C03_HOCl_6h-pos	Treatment:HOCl | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_129_C03_HOCl_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C03	20210225_130_C03_HOCl_6h-neg	Treatment:HOCl | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_130_C03_HOCl_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C05	20210225_131_C05_HOBr_6h-pos	Treatment:HOBr | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_131_C05_HOBr_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C05	20210225_132_C05_HOBr_6h-neg	Treatment:HOBr | Time:6h	Batch=Batch02; RAW_FILE_NAME=20210225_132_C05_HOBr_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J11	20210225_133_J11_Con_24h-pos	Treatment:Control | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_133_J11_Con_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J11	20210225_134_J11_Con_24h-neg	Treatment:Control | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_134_J11_Con_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C11	20210225_135_C11_Con_24h-pos	Treatment:Control | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_135_C11_Con_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C11	20210225_136_C11_Con_24h-neg	Treatment:Control | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_136_C11_Con_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B12	20210225_137_B12_HOSCN_24h-pos	Treatment:HOSCN | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_137_B12_HOSCN_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B12	20210225_138_B12_HOSCN_24h-neg	Treatment:HOSCN | Time:24h	Batch=Batch02; RAW_FILE_NAME=20210225_138_B12_HOSCN_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210225_139_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch02; RAW_FILE_NAME=20210225_139_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210225_140_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch02; RAW_FILE_NAME=20210225_140_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210226_141_blank-pos	Treatment:n/a | Time:n/a	Batch=Batch03; RAW_FILE_NAME=20210226_141_blank-pos.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210226_142_blank-neg	Treatment:n/a | Time:n/a	Batch=Batch03; RAW_FILE_NAME=20210226_142_blank-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210226_143_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch03; RAW_FILE_NAME=20210226_143_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210226_144_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch03; RAW_FILE_NAME=20210226_144_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B06	20210226_145_B06_Con_6h-pos	Treatment:Control | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_145_B06_Con_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B06	20210226_146_B06_Con_6h-neg	Treatment:Control | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_146_B06_Con_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F10	20210226_147_F10_HOBr_6h-pos	Treatment:HOBr | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_147_F10_HOBr_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F10	20210226_148_F10_HOBr_6h-neg	Treatment:HOBr | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_148_F10_HOBr_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C02	20210226_149_C02_H2O2_6h-pos	Treatment:H2O2 | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_149_C02_H2O2_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C02	20210226_150_C02_H2O2_6h-neg	Treatment:H2O2 | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_150_C02_H2O2_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E04	20210226_151_E04_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_151_E04_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E04	20210226_152_E04_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_152_E04_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F04	20210226_153_F04_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_153_F04_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F04	20210226_154_F04_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_154_F04_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I03	20210226_155_I03_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_155_I03_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I03	20210226_156_I03_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_156_I03_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D12	20210226_157_D12_HOSCN_24h-pos	Treatment:HOSCN | Time:24h	Batch=Batch03; RAW_FILE_NAME=20210226_157_D12_HOSCN_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D12	20210226_158_D12_HOSCN_24h-neg	Treatment:HOSCN | Time:24h	Batch=Batch03; RAW_FILE_NAME=20210226_158_D12_HOSCN_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I09	20210226_159_I09_HOSCN_6h-pos	Treatment:HOSCN | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_159_I09_HOSCN_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I09	20210226_160_I09_HOSCN_6h-neg	Treatment:HOSCN | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_160_I09_HOSCN_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B02	20210226_161_B02_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_161_B02_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B02	20210226_162_B02_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_162_B02_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B05	20210226_163_B05_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_163_B05_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B05	20210226_164_B05_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_164_B05_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210226_165_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch03; RAW_FILE_NAME=20210226_165_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210226_166_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch03; RAW_FILE_NAME=20210226_166_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I10	20210226_167_I10_HOBr_6h-pos	Treatment:HOBr | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_167_I10_HOBr_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I10	20210226_168_I10_HOBr_6h-neg	Treatment:HOBr | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_168_I10_HOBr_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	G09	20210226_169_G09_HOSCN_6h-pos	Treatment:HOSCN | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_169_G09_HOSCN_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	G09	20210226_170_G09_HOSCN_6h-neg	Treatment:HOSCN | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_170_G09_HOSCN_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F11	20210226_171_F11_Con_24h-pos	Treatment:Control | Time:24h	Batch=Batch03; RAW_FILE_NAME=20210226_171_F11_Con_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F11	20210226_172_F11_Con_24h-neg	Treatment:Control | Time:24h	Batch=Batch03; RAW_FILE_NAME=20210226_172_F11_Con_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	G03	20210226_173_G03_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_173_G03_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	G03	20210226_174_G03_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_174_G03_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C01	20210226_175_C01_Con_6h-pos	Treatment:Control | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_175_C01_Con_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C01	20210226_176_C01_Con_6h-neg	Treatment:Control | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_176_C01_Con_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	A12	20210226_177_A12_HOSCN_24h-pos	Treatment:HOSCN | Time:24h	Batch=Batch03; RAW_FILE_NAME=20210226_177_A12_HOSCN_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	A12	20210226_178_A12_HOSCN_24h-neg	Treatment:HOSCN | Time:24h	Batch=Batch03; RAW_FILE_NAME=20210226_178_A12_HOSCN_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I11	20210226_179_I11_Con_24h-pos	Treatment:Control | Time:24h	Batch=Batch03; RAW_FILE_NAME=20210226_179_I11_Con_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I11	20210226_180_I11_Con_24h-neg	Treatment:Control | Time:24h	Batch=Batch03; RAW_FILE_NAME=20210226_180_I11_Con_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D01	20210226_181_D01_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_181_D01_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D01	20210226_182_D01_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_182_D01_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C04	20210226_183_C04_HOSCN_6h-pos	Treatment:HOSCN | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_183_C04_HOSCN_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C04	20210226_184_C04_HOSCN_6h-neg	Treatment:HOSCN | Time:6h	Batch=Batch03; RAW_FILE_NAME=20210226_184_C04_HOSCN_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D10	20210226_185_D10_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_185_D10_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D10	20210226_186_D10_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch03; RAW_FILE_NAME=20210226_186_D10_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210226_187_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch03; RAW_FILE_NAME=20210226_187_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210226_188_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch03; RAW_FILE_NAME=20210226_188_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210227_189_blank-pos	Treatment:n/a | Time:n/a	Batch=Batch04; RAW_FILE_NAME=20210227_189_blank-pos.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210227_190_blank-neg	Treatment:n/a | Time:n/a	Batch=Batch04; RAW_FILE_NAME=20210227_190_blank-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210227_191_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch04; RAW_FILE_NAME=20210227_191_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210227_192_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch04; RAW_FILE_NAME=20210227_192_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	G04	20210227_193_G04_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_193_G04_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	G04	20210227_194_G04_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_194_G04_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E08	20210227_195_E08_HOCl_6h-pos	Treatment:HOCl | Time:6h	Batch=Batch04; RAW_FILE_NAME=20210227_195_E08_HOCl_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E08	20210227_196_E08_HOCl_6h-neg	Treatment:HOCl | Time:6h	Batch=Batch04; RAW_FILE_NAME=20210227_196_E08_HOCl_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	A05	20210227_197_A05_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_197_A05_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	A05	20210227_198_A05_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_198_A05_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I12	20210227_199_I12_HOSCN_24h-pos	Treatment:HOSCN | Time:24h	Batch=Batch04; RAW_FILE_NAME=20210227_199_I12_HOSCN_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I12	20210227_200_I12_HOSCN_24h-neg	Treatment:HOSCN | Time:24h	Batch=Batch04; RAW_FILE_NAME=20210227_200_I12_HOSCN_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B03	20210227_201_B03_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_201_B03_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B03	20210227_202_B03_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_202_B03_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	A07	20210227_203_A07_H2O2_6h-pos	Treatment:H2O2 | Time:6h	Batch=Batch04; RAW_FILE_NAME=20210227_203_A07_H2O2_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	A07	20210227_204_A07_H2O2_6h-neg	Treatment:H2O2 | Time:6h	Batch=Batch04; RAW_FILE_NAME=20210227_204_A07_H2O2_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J03	20210227_205_J03_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_205_J03_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J03	20210227_206_J03_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_206_J03_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B10	20210227_207_B10_HOBr_6h-pos	Treatment:HOBr | Time:6h	Batch=Batch04; RAW_FILE_NAME=20210227_207_B10_HOBr_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B10	20210227_208_B10_HOBr_6h-neg	Treatment:HOBr | Time:6h	Batch=Batch04; RAW_FILE_NAME=20210227_208_B10_HOBr_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	G05	20210227_209_G05_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_209_G05_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	G05	20210227_210_G05_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_210_G05_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D08	20210227_211_D08_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_211_D08_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D08	20210227_212_D08_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_212_D08_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210227_213_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch04; RAW_FILE_NAME=20210227_213_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210227_214_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch04; RAW_FILE_NAME=20210227_214_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H09	20210227_215_H09_HOSCN_6h-pos	Treatment:HOSCN | Time:6h	Batch=Batch04; RAW_FILE_NAME=20210227_215_H09_HOSCN_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H09	20210227_216_H09_HOSCN_6h-neg	Treatment:HOSCN | Time:6h	Batch=Batch04; RAW_FILE_NAME=20210227_216_H09_HOSCN_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D09	20210227_217_D09_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_217_D09_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D09	20210227_218_D09_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_218_D09_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E05	20210227_219_E05_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_219_E05_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E05	20210227_220_E05_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_220_E05_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	A10	20210227_221_A10_HOBr_6h-pos	Treatment:HOBr | Time:6h	Batch=Batch04; RAW_FILE_NAME=20210227_221_A10_HOBr_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	A10	20210227_222_A10_HOBr_6h-neg	Treatment:HOBr | Time:6h	Batch=Batch04; RAW_FILE_NAME=20210227_222_A10_HOBr_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	G01	20210227_223_G01_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_223_G01_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	G01	20210227_224_G01_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_224_G01_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	A03	20210227_225_A03_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_225_A03_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	A03	20210227_226_A03_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_226_A03_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H12	20210227_227_H12_HOSCN_24h-pos	Treatment:HOSCN | Time:24h	Batch=Batch04; RAW_FILE_NAME=20210227_227_H12_HOSCN_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H12	20210227_228_H12_HOSCN_24h-neg	Treatment:HOSCN | Time:24h	Batch=Batch04; RAW_FILE_NAME=20210227_228_H12_HOSCN_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H05	20210227_229_H05_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_229_H05_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H05	20210227_230_H05_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_230_H05_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D11	20210227_231_D11_Con_24h-pos	Treatment:Control | Time:24h	Batch=Batch04; RAW_FILE_NAME=20210227_231_D11_Con_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D11	20210227_232_D11_Con_24h-neg	Treatment:Control | Time:24h	Batch=Batch04; RAW_FILE_NAME=20210227_232_D11_Con_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	A02	20210227_233_A02_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_233_A02_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	A02	20210227_234_A02_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch04; RAW_FILE_NAME=20210227_234_A02_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210227_235_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch04; RAW_FILE_NAME=20210227_235_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210227_236_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch04; RAW_FILE_NAME=20210227_236_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210228_237_blank-pos	Treatment:n/a | Time:n/a	Batch=Batch05; RAW_FILE_NAME=20210228_237_blank-pos.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210228_238_blank-neg	Treatment:n/a | Time:n/a	Batch=Batch05; RAW_FILE_NAME=20210228_238_blank-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210228_239_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch05; RAW_FILE_NAME=20210228_239_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210228_240_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch05; RAW_FILE_NAME=20210228_240_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B08	20210228_241_B08_HOCl_6h-pos	Treatment:HOCl | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_241_B08_HOCl_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B08	20210228_242_B08_HOCl_6h-neg	Treatment:HOCl | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_242_B08_HOCl_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J07	20210228_243_J07_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_243_J07_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J07	20210228_244_J07_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_244_J07_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	F05	20210228_245_F05_HOBr_2h-pos	Treatment:HOBr | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_245_F05_HOBr_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	F05	20210228_246_F05_HOBr_2h-neg	Treatment:HOBr | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_246_F05_HOBr_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J04	20210228_247_J04_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_247_J04_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J04	20210228_248_J04_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_248_J04_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E02	20210228_249_E02_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_249_E02_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E02	20210228_250_E02_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_250_E02_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H11	20210228_251_H11_Con_24h-pos	Treatment:Control | Time:24h	Batch=Batch05; RAW_FILE_NAME=20210228_251_H11_Con_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H11	20210228_252_H11_Con_24h-neg	Treatment:Control | Time:24h	Batch=Batch05; RAW_FILE_NAME=20210228_252_H11_Con_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J09	20210228_253_J09_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_253_J09_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J09	20210228_254_J09_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_254_J09_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D06	20210228_255_D06_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_255_D06_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D06	20210228_256_D06_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_256_D06_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	C08	20210228_257_C08_HOCl_6h-pos	Treatment:HOCl | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_257_C08_HOCl_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	C08	20210228_258_C08_HOCl_6h-neg	Treatment:HOCl | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_258_C08_HOCl_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	G06	20210228_259_G06_Con_6h-pos	Treatment:Control | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_259_G06_Con_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	G06	20210228_260_G06_Con_6h-neg	Treatment:Control | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_260_G06_Con_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210228_261_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch05; RAW_FILE_NAME=20210228_261_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210228_262_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch05; RAW_FILE_NAME=20210228_262_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E10	20210228_263_E10_HOBr_6h-pos	Treatment:HOBr | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_263_E10_HOBr_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E10	20210228_264_E10_HOBr_6h-neg	Treatment:HOBr | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_264_E10_HOBr_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I06	20210228_265_I06_Con_6h-pos	Treatment:Control | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_265_I06_Con_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I06	20210228_266_I06_Con_6h-neg	Treatment:Control | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_266_I06_Con_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	G11	20210228_267_G11_Con_24h-pos	Treatment:Control | Time:24h	Batch=Batch05; RAW_FILE_NAME=20210228_267_G11_Con_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	G11	20210228_268_G11_Con_24h-neg	Treatment:Control | Time:24h	Batch=Batch05; RAW_FILE_NAME=20210228_268_G11_Con_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	A04	20210228_269_A04_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_269_A04_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	A04	20210228_270_A04_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_270_A04_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	B11	20210228_271_B11_Con_24h-pos	Treatment:Control | Time:24h	Batch=Batch05; RAW_FILE_NAME=20210228_271_B11_Con_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	B11	20210228_272_B11_Con_24h-neg	Treatment:Control | Time:24h	Batch=Batch05; RAW_FILE_NAME=20210228_272_B11_Con_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H10	20210228_273_H10_HOBr_6h-pos	Treatment:HOBr | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_273_H10_HOBr_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H10	20210228_274_H10_HOBr_6h-neg	Treatment:HOBr | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_274_H10_HOBr_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J08	20210228_275_J08_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_275_J08_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J08	20210228_276_J08_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_276_J08_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E09	20210228_277_E09_HOSCN_6h-pos	Treatment:HOSCN | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_277_E09_HOSCN_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E09	20210228_278_E09_HOSCN_6h-neg	Treatment:HOSCN | Time:6h	Batch=Batch05; RAW_FILE_NAME=20210228_278_E09_HOSCN_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I01	20210228_279_I01_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_279_I01_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I01	20210228_280_I01_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_280_I01_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H01	20210228_281_H01_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_281_H01_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H01	20210228_282_H01_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch05; RAW_FILE_NAME=20210228_282_H01_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210228_283_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch05; RAW_FILE_NAME=20210228_283_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210228_284_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch05; RAW_FILE_NAME=20210228_284_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210301_285_blank-pos	Treatment:n/a | Time:n/a	Batch=Batch06; RAW_FILE_NAME=20210301_285_blank-pos.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210301_286_blank-neg	Treatment:n/a | Time:n/a	Batch=Batch06; RAW_FILE_NAME=20210301_286_blank-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_287_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch06; RAW_FILE_NAME=20210301_287_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_288_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch06; RAW_FILE_NAME=20210301_288_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	I04	20210301_289_I04_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_289_I04_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	I04	20210301_290_I04_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_290_I04_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J12	20210301_291_J12_HOSCN_24h-pos	Treatment:HOSCN | Time:24h	Batch=Batch06; RAW_FILE_NAME=20210301_291_J12_HOSCN_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J12	20210301_292_J12_HOSCN_24h-neg	Treatment:HOSCN | Time:24h	Batch=Batch06; RAW_FILE_NAME=20210301_292_J12_HOSCN_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	G12	20210301_293_G12_HOSCN_24h-pos	Treatment:HOSCN | Time:24h	Batch=Batch06; RAW_FILE_NAME=20210301_293_G12_HOSCN_24h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	G12	20210301_294_G12_HOSCN_24h-neg	Treatment:HOSCN | Time:24h	Batch=Batch06; RAW_FILE_NAME=20210301_294_G12_HOSCN_24h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D02	20210301_295_D02_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_295_D02_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D02	20210301_296_D02_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_296_D02_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H02	20210301_297_H02_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_297_H02_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H02	20210301_298_H02_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_298_H02_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	D07	20210301_299_D07_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_299_D07_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	D07	20210301_300_D07_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_300_D07_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E03	20210301_301_E03_HOCl_2h-pos	Treatment:HOCl | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_301_E03_HOCl_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E03	20210301_302_E03_HOCl_2h-neg	Treatment:HOCl | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_302_E03_HOCl_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	H04	20210301_303_H04_HOSCN_2h-pos	Treatment:HOSCN | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_303_H04_HOSCN_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	H04	20210301_304_H04_HOSCN_2h-neg	Treatment:HOSCN | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_304_H04_HOSCN_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J01	20210301_305_J01_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_305_J01_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J01	20210301_306_J01_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_306_J01_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E07	20210301_307_E07_H2O2_6h-pos	Treatment:H2O2 | Time:6h	Batch=Batch06; RAW_FILE_NAME=20210301_307_E07_H2O2_6h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E07	20210301_308_E07_H2O2_6h-neg	Treatment:H2O2 | Time:6h	Batch=Batch06; RAW_FILE_NAME=20210301_308_E07_H2O2_6h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	E01	20210301_309_E01_Con_2h-pos	Treatment:Control | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_309_E01_Con_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	E01	20210301_310_E01_Con_2h-neg	Treatment:Control | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_310_E01_Con_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	J02	20210301_311_J02_H2O2_2h-pos	Treatment:H2O2 | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_311_J02_H2O2_2h-pos.mzML
SUBJECT_SAMPLE_FACTORS           	J02	20210301_312_J02_H2O2_2h-neg	Treatment:H2O2 | Time:2h	Batch=Batch06; RAW_FILE_NAME=20210301_312_J02_H2O2_2h-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_313_QC-pos	Treatment:n/a | Time:n/a	Batch=Batch06; RAW_FILE_NAME=20210301_313_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_314_QC-neg	Treatment:n/a | Time:n/a	Batch=Batch06; RAW_FILE_NAME=20210301_314_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210301_315_blank-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_315_blank-pos.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210301_316_blank-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_316_blank-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_317_SRM1950-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_317_SRM1950-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_318_SRM1950-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_318_SRM1950-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_319_QC-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_319_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_320_QC-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_320_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_321_SRM1950-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_321_SRM1950-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_322_SRM1950-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_322_SRM1950-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_323_QC-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_323_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_324_QC-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_324_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_325_SRM1950-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_325_SRM1950-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_327_QC-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_327_QC-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_328_QC-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_328_QC-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_329_QC_ddMS2-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_329_QC_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_330_QC_ddMS2-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_330_QC_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_331_QC_ddMS2_GL-EFOx-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_331_QC_ddMS2_GL-EFOx-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_332_QC_ddMS2_GL-EFOx-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_332_QC_ddMS2_GL-EFOx-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_333_QC_ddMS2_GL-CompoundLibrary-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_333_QC_ddMS2_GL-CompoundLibrary-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_334_QC_ddMS2_GL-CompoundLibrary-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_334_QC_ddMS2_GL-CompoundLibrary-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_335_SRM1950_ddMS2-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_335_SRM1950_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_336_SRM1950_ddMS2-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_336_SRM1950_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_337_SRM1950_ddMS2_EX-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_337_SRM1950_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_338_SRM1950_ddMS2_EX-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_338_SRM1950_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210301_339_QC_Con_ddMS2-pos	Treatment:Control | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_339_QC_Con_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210301_340_QC_Con_ddMS2-neg	Treatment:Control | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_340_QC_Con_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210301_341_QC_Con_ddMS2_EX-pos	Treatment:Control | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_341_QC_Con_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210301_342_QC_Con_ddMS2_EX-neg	Treatment:Control | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_342_QC_Con_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210301_343_QC_Con_ddMS2_GL-CompoundLibrary-pos	Treatment:Control | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_343_QC_Con_ddMS2_GL-CompoundLibrary-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210301_344_QC_Con_ddMS2_GL-CompoundLibrary-neg	Treatment:Control | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_344_QC_Con_ddMS2_GL-CompoundLibrary-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210301_345_QC_H2O2_ddMS2-pos	Treatment:H2O2 | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_345_QC_H2O2_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210301_346_QC_H2O2_ddMS2-neg	Treatment:H2O2 | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_346_QC_H2O2_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210301_347_QC_H2O2_ddMS2_EX-pos	Treatment:H2O2 | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_347_QC_H2O2_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210301_348_QC_H2O2_ddMS2_EX-neg	Treatment:H2O2 | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_348_QC_H2O2_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210301_349_QC_H2O2_ddMS2_GL-CompoundLibrary-pos	Treatment:H2O2 | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_349_QC_H2O2_ddMS2_GL-CompoundLibrary-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210301_350_QC_H2O2_ddMS2_GL-CompoundLibrary-neg	Treatment:H2O2 | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_350_QC_H2O2_ddMS2_GL-CompoundLibrary-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210301_351_QC_HOBr_ddMS2-pos	Treatment:HOBr | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_351_QC_HOBr_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210301_352_QC_HOBr_ddMS2-neg	Treatment:HOBr | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_352_QC_HOBr_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210301_353_QC_HOBr_ddMS2_EX-pos	Treatment:HOBr | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_353_QC_HOBr_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210301_354_QC_HOBr_ddMS2_EX-neg	Treatment:HOBr | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_354_QC_HOBr_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210301_355_QC_HOBr_ddMS2_GL-CompoundLibrary-pos	Treatment:HOBr | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_355_QC_HOBr_ddMS2_GL-CompoundLibrary-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210301_356_QC_HOBr_ddMS2_GL-CompoundLibrary-neg	Treatment:HOBr | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_356_QC_HOBr_ddMS2_GL-CompoundLibrary-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210301_357_QC_HOCl_ddMS2-pos	Treatment:HOCl | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_357_QC_HOCl_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210301_358_QC_HOCl_ddMS2-neg	Treatment:HOCl | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_358_QC_HOCl_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210301_359_QC_HOCl_ddMS2_EX-pos	Treatment:HOCl | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_359_QC_HOCl_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210301_360_QC_HOCl_ddMS2_EX-neg	Treatment:HOCl | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_360_QC_HOCl_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210301_361_QC_HOCl_ddMS2_GL-CompoundLibrary-pos	Treatment:HOCl | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_361_QC_HOCl_ddMS2_GL-CompoundLibrary-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210301_362_QC_HOCl_ddMS2_GL-CompoundLibrary-neg	Treatment:HOCl | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_362_QC_HOCl_ddMS2_GL-CompoundLibrary-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210301_363_QC_HOSCN_ddMS2-pos	Treatment:HOSCN | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_363_QC_HOSCN_ddMS2-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210301_364_QC_HOSCN_ddMS2-neg	Treatment:HOSCN | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_364_QC_HOSCN_ddMS2-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210301_365_QC_HOSCN_ddMS2_EX-pos	Treatment:HOSCN | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_365_QC_HOSCN_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210301_366_QC_HOSCN_ddMS2_EX-neg	Treatment:HOSCN | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_366_QC_HOSCN_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210301_367_QC_HOSCN_ddMS2_GL-CompoundLibrary-pos	Treatment:HOSCN | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_367_QC_HOSCN_ddMS2_GL-CompoundLibrary-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210301_368_QC_HOSCN_ddMS2_GL-CompoundLibrary-neg	Treatment:HOSCN | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_368_QC_HOSCN_ddMS2_GL-CompoundLibrary-neg.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210301_369_blank-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_369_blank-pos.mzML
SUBJECT_SAMPLE_FACTORS           	blank	20210301_370_blank-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_370_blank-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_371_QC_ddMS2_SRM-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_371_QC_ddMS2_SRM-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC	20210301_372_QC_ddMS2-SRM-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_372_QC_ddMS2-SRM-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_373_SRM1950_ddMS2_EX-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_373_SRM1950_ddMS2_EX-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_374_SRM1950_ddMS2_EX-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_374_SRM1950_ddMS2_EX-neg.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_375_SRM1950_ddMS2_GL-CompoundLibrary-pos	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_375_SRM1950_ddMS2_GL-CompoundLibrary-pos.mzML
SUBJECT_SAMPLE_FACTORS           	SRM1950	20210301_376_SRM1950_ddMS2_GL-CompoundLibrary-neg	Treatment:n/a | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_376_SRM1950_ddMS2_GL-CompoundLibrary-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210301_377_QC_Con_ddMS2_SRM-pos	Treatment:Control | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_377_QC_Con_ddMS2_SRM-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_Control	20210301_378_QC_Con_ddMS2_SRM-neg	Treatment:Control | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_378_QC_Con_ddMS2_SRM-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210301_379_QC_H2O2_ddMS2_SRM-pos	Treatment:H2O2 | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_379_QC_H2O2_ddMS2_SRM-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_H2O2	20210301_380_QC_H2O2_ddMS2_SRM-neg	Treatment:H2O2 | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_380_QC_H2O2_ddMS2_SRM-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210301_381_QC_HOBr_ddMS2_SRM-pos	Treatment:HOBr | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_381_QC_HOBr_ddMS2_SRM-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOBr	20210301_382_QC_HOBr_ddMS2_SRM-neg	Treatment:HOBr | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_382_QC_HOBr_ddMS2_SRM-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210301_383_QC_HOCl_ddMS2_SRM-pos	Treatment:HOCl | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_383_QC_HOCl_ddMS2_SRM-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOCl	20210301_384_QC_HOCl_ddMS2_SRM-neg	Treatment:HOCl | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_384_QC_HOCl_ddMS2_SRM-neg.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210301_385_QC_HOSCN_ddMS2_SRM-pos	Treatment:HOSCN | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_385_QC_HOSCN_ddMS2_SRM-pos.mzML
SUBJECT_SAMPLE_FACTORS           	QC_HOSCN	20210301_386_QC_HOSCN_ddMS2_SRM-neg	Treatment:HOSCN | Time:n/a	Batch=EndBatch; RAW_FILE_NAME=20210301_386_QC_HOSCN_ddMS2_SRM-neg.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Cells grown in 60 mm dishes were washed once with 1X PBS before being scraped
CO:COLLECTION_SUMMARY            	into 250 ul of 2:2:1 acetonitrile:methanol:water plus 0.1 M formic acid. Then a
CO:COLLECTION_SUMMARY            	second 250 ul of PBS was added and pooled with the first to maximize recovery.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Cells were treated with 2 U/L of glucose oxidase (GOX) to produce H2O2. To
TR:TREATMENT_SUMMARY             	produce HOCl, 200 U/L of myeloperoxidase (MPO) was added in addition to GOX. To
TR:TREATMENT_SUMMARY             	produce HOBr and HOSCN, 1 mM of sodium bromide or sodium thiocyanate were added,
TR:TREATMENT_SUMMARY             	respectively, in addition to GOX and MPO. Cells were exposed for up to 2h, 6h,
TR:TREATMENT_SUMMARY             	and 24h.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites were extracted from cells using 2:2:1 acetonitrile:methanol:water
SP:SAMPLEPREP_SUMMARY            	plus 0.1 M formic acid method. Formic acid was neutralized with ammonium
SP:SAMPLEPREP_SUMMARY            	bicarbonate. The samples were incubated at -20C for 30 min then centrifuged at
SP:SAMPLEPREP_SUMMARY            	20,000 g and 4C for 10 min. Supernatants and pellets were stored at -80C.
SP:SAMPLEPREP_SUMMARY            	Pellets were later dissolved for total protein assay and the supernatant was
SP:SAMPLEPREP_SUMMARY            	normalized for protein concentration. A small, equal volume of each sample was
SP:SAMPLEPREP_SUMMARY            	pooled to make a global quality control samples and experimental group-specific
SP:SAMPLEPREP_SUMMARY            	quality controls.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	HILICON iHILIC-(P) Classic (150 x 2.1mm, 5um)
CH:SOLVENT_A                     	15 mM ammonium acetate, pH 9.4
CH:SOLVENT_B                     	acetonitrile
CH:FLOW_GRADIENT                 	Gradient began at 10% A and progressed to 90% A, followed by a 2-minute hold and
CH:FLOW_GRADIENT                 	8-minute re-equilibration of the column at 10% A
CH:FLOW_RATE                     	0.2 ml/min
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Joshua Chandler, PhD
AN:OPERATOR_NAME                 	Susan Kim
AN:DETECTOR_TYPE                 	Orbitrap
AN:SOFTWARE_VERSION              	Compound Discoverer 3.3
AN:ACQUISITION_DATE              	02/23/2021
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF hybrid Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	The data acquisition sequence was randomized before injection and a global
MS:MS_COMMENTS                   	quality control was injected every 10 samples to determine measurement
MS:MS_COMMENTS                   	reproducibility. Data was analyzed using Compound Discoverer 3.3 and FreeStyle
MS:MS_COMMENTS                   	1.7 (Thermo Fisher Scientific). mzCloud (mzcloud.org) and LipidSearch
MS:MS_COMMENTS                   	(ThermoFisher) were used for MS/MS identifications
MS:MS_RESULTS_FILE               	ST002548_AN004196_Results.txt	UNITS:normalized peak area	Has m/z:No	Has RT:Yes	RT units:Minutes
#END