#METABOLOMICS WORKBENCH wpathmasiri_20240920_024649 DATATRACK_ID:5210 STUDY_ID:ST003493 ANALYSIS_ID:AN005733 PROJECT_ID:PR002142
VERSION             	1
CREATED_ON             	September 20, 2024, 2:41 pm
#PROJECT
PR:PROJECT_TITLE                 	Countermeasure Influence of 4-Weeks Cranberry Ingestion on Immune Dysfunction,
PR:PROJECT_TITLE                 	Inflammation, and Muscle Damage Induced by Intensive Running
PR:PROJECT_TYPE                  	C18 Reversed-Phase Broad Spectrum Metabolomics
PR:PROJECT_SUMMARY               	This study examined the effect of 4-weeks unsweetened cranberry beverage (CRAN)
PR:PROJECT_SUMMARY               	(309 mg polyphenols) versus placebo beverage (PLAC) ingestion (240 ml/day) in
PR:PROJECT_SUMMARY               	moderating exercise-induced changes in innate immunity. Participants included 25
PR:PROJECT_SUMMARY               	male and female non-elite cyclists. A randomized, placebo-controlled,
PR:PROJECT_SUMMARY               	double-blind, crossover design was used with two 4-week supplementation periods
PR:PROJECT_SUMMARY               	and a 2-week washout period. Supplementation periods were followed by an
PR:PROJECT_SUMMARY               	intensive 2.25-h cycling bout.
PR:INSTITUTE                     	Metabolomics and Exposome Laboratory at UNC Nutrition Research Institute
PR:DEPARTMENT                    	Untargeted Analysis
PR:LABORATORY                    	Sumner Lab
PR:LAST_NAME                     	Rushing
PR:FIRST_NAME                    	Blake
PR:ADDRESS                       	Nutrition Research Institute , University of North Carolina at Chapel Hill, 500
PR:ADDRESS                       	Laureate Way Kannapolis, NC 28081
PR:EMAIL                         	blake_rushing@unc.edu
PR:PHONE                         	704-250-5000
PR:FUNDING_SOURCE                	Ocean Spray (https://www.oceanspray.com/)
#STUDY
ST:STUDY_TITLE                   	Countermeasure Influence of 4-Weeks Cranberry Ingestion on Immune Dysfunction,
ST:STUDY_TITLE                   	Inflammation, and Muscle Damage Induced by Intensive Running
ST:STUDY_TYPE                    	This study employed a randomized, placebo controlled, double-blind, crossover
ST:STUDY_TYPE                    	design with two 4-week supplementation periods and a 2-week washout period.
ST:STUDY_SUMMARY                 	This randomized crossover study used an intense 2.25-h cycling bout to induce
ST:STUDY_SUMMARY                 	inflammation and innate immune system perturbations in 25 cyclists who consumed
ST:STUDY_SUMMARY                 	240 ml/d unsweetened cranberry or placebo beverages for 4 weeks. Unsweetened
ST:STUDY_SUMMARY                 	cranberry beverage intake was associated with a transient and modest
ST:STUDY_SUMMARY                 	post-exercise elevation in pro-inflammatory oxylipins and proteins associated
ST:STUDY_SUMMARY                 	with the innate immune system, but without effects on serum cortisol and muscle
ST:STUDY_SUMMARY                 	damage biomarkers. Additionally, cranberry beverage intake did not alter the gut
ST:STUDY_SUMMARY                 	microbiome composition or diversity.
ST:INSTITUTE                     	Appalachian State University
ST:DEPARTMENT                    	Department of Biology
ST:LABORATORY                    	Human Performance Laboratory
ST:LAST_NAME                     	Nieman
ST:FIRST_NAME                    	David
ST:ADDRESS                       	North Carolina Research Campus, 600 Laureate Way, Kannapolis, NC 28081
ST:EMAIL                         	niemandc@appstate.edu
ST:PHONE                         	(828) 773-0056
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	99
ST:STUDY_COMMENTS                	Six blood samples were collected before and after supplementation (overnight
ST:STUDY_COMMENTS                	fasted state), and at 0h-, 1.5h-, 3h-, and 24h-post-exercise. Stool and urine
ST:STUDY_COMMENTS                	samples were collected pre- and post-supplementation. Outcome measures included
ST:STUDY_COMMENTS                	serum creatine kinase, myoglobin, and cortisol, complete blood counts, plasma
ST:STUDY_COMMENTS                	untargeted proteomics, plasma targeted oxylipins, untargeted urine metabolomics,
ST:STUDY_COMMENTS                	and stool microbiome composition via whole genome shotgun (WGS) sequencing.
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
#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           	5	Nieman_C_1	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=1; RAW_FILE_NAME(RAW_File)=Nieman_C_1.raw
SUBJECT_SAMPLE_FACTORS           	5	Nieman_C_2	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=2; RAW_FILE_NAME(RAW_File)=Nieman_C_2.raw
SUBJECT_SAMPLE_FACTORS           	5	Nieman_C_3	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=3; RAW_FILE_NAME(RAW_File)=Nieman_C_3.raw
SUBJECT_SAMPLE_FACTORS           	5	Nieman_C_4	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=4; RAW_FILE_NAME(RAW_File)=Nieman_C_4.raw
SUBJECT_SAMPLE_FACTORS           	25	Nieman_C_5	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=5; RAW_FILE_NAME(RAW_File)=Nieman_C_5.raw
SUBJECT_SAMPLE_FACTORS           	25	Nieman_C_6	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=6; RAW_FILE_NAME(RAW_File)=Nieman_C_6.raw
SUBJECT_SAMPLE_FACTORS           	25	Nieman_C_7	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=7; RAW_FILE_NAME(RAW_File)=Nieman_C_7.raw
SUBJECT_SAMPLE_FACTORS           	25	Nieman_C_8	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=8; RAW_FILE_NAME(RAW_File)=Nieman_C_8.raw
SUBJECT_SAMPLE_FACTORS           	4	Nieman_C_9	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=9; RAW_FILE_NAME(RAW_File)=Nieman_C_9.raw
SUBJECT_SAMPLE_FACTORS           	4	Nieman_C_10	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=10; RAW_FILE_NAME(RAW_File)=Nieman_C_10.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_C_B_1	Sample source:Water | Sample_Type:Blank | Supplement:N/A | Timepoint:N/A	Analysis_Order=11; RAW_FILE_NAME(RAW_File)=Nieman_C_B_1.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_NIST_1	Sample source:Urine | Sample_Type:NIST Reference | Supplement:N/A | Timepoint:N/A	Analysis_Order=12; RAW_FILE_NAME(RAW_File)=Nieman_NIST_1.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_SP_1	Sample source:Urine | Sample_Type:Study Pool | Supplement:N/A | Timepoint:N/A	Analysis_Order=13; RAW_FILE_NAME(RAW_File)=Nieman_SP_1.raw
SUBJECT_SAMPLE_FACTORS           	4	Nieman_C_11	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=14; RAW_FILE_NAME(RAW_File)=Nieman_C_11.raw
SUBJECT_SAMPLE_FACTORS           	4	Nieman_C_12	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=15; RAW_FILE_NAME(RAW_File)=Nieman_C_12.raw
SUBJECT_SAMPLE_FACTORS           	15	Nieman_C_13	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=16; RAW_FILE_NAME(RAW_File)=Nieman_C_13.raw
SUBJECT_SAMPLE_FACTORS           	15	Nieman_C_14	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=17; RAW_FILE_NAME(RAW_File)=Nieman_C_14.raw
SUBJECT_SAMPLE_FACTORS           	15	Nieman_C_15	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=18; RAW_FILE_NAME(RAW_File)=Nieman_C_15.raw
SUBJECT_SAMPLE_FACTORS           	15	Nieman_C_16	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=19; RAW_FILE_NAME(RAW_File)=Nieman_C_16.raw
SUBJECT_SAMPLE_FACTORS           	21	Nieman_C_17	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=20; RAW_FILE_NAME(RAW_File)=Nieman_C_17.raw
SUBJECT_SAMPLE_FACTORS           	21	Nieman_C_18	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=21; RAW_FILE_NAME(RAW_File)=Nieman_C_18.raw
SUBJECT_SAMPLE_FACTORS           	21	Nieman_C_19	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=22; RAW_FILE_NAME(RAW_File)=Nieman_C_19.raw
SUBJECT_SAMPLE_FACTORS           	21	Nieman_C_20	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=23; RAW_FILE_NAME(RAW_File)=Nieman_C_20.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_C_B_2	Sample source:Water | Sample_Type:Blank | Supplement:N/A | Timepoint:N/A	Analysis_Order=24; RAW_FILE_NAME(RAW_File)=Nieman_C_B_2.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_NIST_2	Sample source:Urine | Sample_Type:NIST Reference | Supplement:N/A | Timepoint:N/A	Analysis_Order=25; RAW_FILE_NAME(RAW_File)=Nieman_NIST_2.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_SP_2	Sample source:Urine | Sample_Type:Study Pool | Supplement:N/A | Timepoint:N/A	Analysis_Order=26; RAW_FILE_NAME(RAW_File)=Nieman_SP_2.raw
SUBJECT_SAMPLE_FACTORS           	13	Nieman_C_21	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=27; RAW_FILE_NAME(RAW_File)=Nieman_C_21.raw
SUBJECT_SAMPLE_FACTORS           	13	Nieman_C_22	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=28; RAW_FILE_NAME(RAW_File)=Nieman_C_22.raw
SUBJECT_SAMPLE_FACTORS           	13	Nieman_C_23	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=29; RAW_FILE_NAME(RAW_File)=Nieman_C_23.raw
SUBJECT_SAMPLE_FACTORS           	13	Nieman_C_24	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=30; RAW_FILE_NAME(RAW_File)=Nieman_C_24.raw
SUBJECT_SAMPLE_FACTORS           	2	Nieman_C_25	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=31; RAW_FILE_NAME(RAW_File)=Nieman_C_25.raw
SUBJECT_SAMPLE_FACTORS           	2	Nieman_C_26	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=32; RAW_FILE_NAME(RAW_File)=Nieman_C_26.raw
SUBJECT_SAMPLE_FACTORS           	2	Nieman_C_27	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=33; RAW_FILE_NAME(RAW_File)=Nieman_C_27.raw
SUBJECT_SAMPLE_FACTORS           	2	Nieman_C_28	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=34; RAW_FILE_NAME(RAW_File)=Nieman_C_28.raw
SUBJECT_SAMPLE_FACTORS           	14	Nieman_C_29	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=35; RAW_FILE_NAME(RAW_File)=Nieman_C_29.raw
SUBJECT_SAMPLE_FACTORS           	14	Nieman_C_30	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=36; RAW_FILE_NAME(RAW_File)=Nieman_C_30.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_C_B_3	Sample source:Water | Sample_Type:Blank | Supplement:N/A | Timepoint:N/A	Analysis_Order=37; RAW_FILE_NAME(RAW_File)=Nieman_C_B_3.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_NIST_3	Sample source:Urine | Sample_Type:NIST Reference | Supplement:N/A | Timepoint:N/A	Analysis_Order=38; RAW_FILE_NAME(RAW_File)=Nieman_NIST_3.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_SP_3	Sample source:Urine | Sample_Type:Study Pool | Supplement:N/A | Timepoint:N/A	Analysis_Order=39; RAW_FILE_NAME(RAW_File)=Nieman_SP_3.raw
SUBJECT_SAMPLE_FACTORS           	14	Nieman_C_31	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=40; RAW_FILE_NAME(RAW_File)=Nieman_C_31.raw
SUBJECT_SAMPLE_FACTORS           	14	Nieman_C_32	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=41; RAW_FILE_NAME(RAW_File)=Nieman_C_32.raw
SUBJECT_SAMPLE_FACTORS           	18	Nieman_C_33	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=42; RAW_FILE_NAME(RAW_File)=Nieman_C_33.raw
SUBJECT_SAMPLE_FACTORS           	18	Nieman_C_34	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=43; RAW_FILE_NAME(RAW_File)=Nieman_C_34.raw
SUBJECT_SAMPLE_FACTORS           	18	Nieman_C_35	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=44; RAW_FILE_NAME(RAW_File)=Nieman_C_35.raw
SUBJECT_SAMPLE_FACTORS           	18	Nieman_C_36	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=45; RAW_FILE_NAME(RAW_File)=Nieman_C_36.raw
SUBJECT_SAMPLE_FACTORS           	9	Nieman_C_37	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=46; RAW_FILE_NAME(RAW_File)=Nieman_C_37.raw
SUBJECT_SAMPLE_FACTORS           	9	Nieman_C_38	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=47; RAW_FILE_NAME(RAW_File)=Nieman_C_38.raw
SUBJECT_SAMPLE_FACTORS           	9	Nieman_C_39	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=48; RAW_FILE_NAME(RAW_File)=Nieman_C_39.raw
SUBJECT_SAMPLE_FACTORS           	9	Nieman_C_40	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=49; RAW_FILE_NAME(RAW_File)=Nieman_C_40.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_C_B_4	Sample source:Water | Sample_Type:Blank | Supplement:N/A | Timepoint:N/A	Analysis_Order=50; RAW_FILE_NAME(RAW_File)=Nieman_C_B_4.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_NIST_4	Sample source:Urine | Sample_Type:NIST Reference | Supplement:N/A | Timepoint:N/A	Analysis_Order=51; RAW_FILE_NAME(RAW_File)=Nieman_NIST_4.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_SP_4	Sample source:Urine | Sample_Type:Study Pool | Supplement:N/A | Timepoint:N/A	Analysis_Order=52; RAW_FILE_NAME(RAW_File)=Nieman_SP_4.raw
SUBJECT_SAMPLE_FACTORS           	1	Nieman_C_41	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=53; RAW_FILE_NAME(RAW_File)=Nieman_C_41.raw
SUBJECT_SAMPLE_FACTORS           	1	Nieman_C_42	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=54; RAW_FILE_NAME(RAW_File)=Nieman_C_42.raw
SUBJECT_SAMPLE_FACTORS           	1	Nieman_C_43	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=55; RAW_FILE_NAME(RAW_File)=Nieman_C_43.raw
SUBJECT_SAMPLE_FACTORS           	1	Nieman_C_44	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=56; RAW_FILE_NAME(RAW_File)=Nieman_C_44.raw
SUBJECT_SAMPLE_FACTORS           	6	Nieman_C_45	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=57; RAW_FILE_NAME(RAW_File)=Nieman_C_45.raw
SUBJECT_SAMPLE_FACTORS           	6	Nieman_C_46	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=58; RAW_FILE_NAME(RAW_File)=Nieman_C_46.raw
SUBJECT_SAMPLE_FACTORS           	6	Nieman_C_47	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=59; RAW_FILE_NAME(RAW_File)=Nieman_C_47.raw
SUBJECT_SAMPLE_FACTORS           	6	Nieman_C_48	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=60; RAW_FILE_NAME(RAW_File)=Nieman_C_48.raw
SUBJECT_SAMPLE_FACTORS           	19	Nieman_C_49	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=61; RAW_FILE_NAME(RAW_File)=Nieman_C_49.raw
SUBJECT_SAMPLE_FACTORS           	19	Nieman_C_50	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=62; RAW_FILE_NAME(RAW_File)=Nieman_C_50.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_C_B_5	Sample source:Water | Sample_Type:Blank | Supplement:N/A | Timepoint:N/A	Analysis_Order=63; RAW_FILE_NAME(RAW_File)=Nieman_C_B_5.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_NIST_5	Sample source:Urine | Sample_Type:NIST Reference | Supplement:N/A | Timepoint:N/A	Analysis_Order=64; RAW_FILE_NAME(RAW_File)=Nieman_NIST_5.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_SP_5	Sample source:Urine | Sample_Type:Study Pool | Supplement:N/A | Timepoint:N/A	Analysis_Order=65; RAW_FILE_NAME(RAW_File)=Nieman_SP_5.raw
SUBJECT_SAMPLE_FACTORS           	19	Nieman_C_51	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=66; RAW_FILE_NAME(RAW_File)=Nieman_C_51.raw
SUBJECT_SAMPLE_FACTORS           	19	Nieman_C_52	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=67; RAW_FILE_NAME(RAW_File)=Nieman_C_52.raw
SUBJECT_SAMPLE_FACTORS           	3	Nieman_C_53	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=68; RAW_FILE_NAME(RAW_File)=Nieman_C_53.raw
SUBJECT_SAMPLE_FACTORS           	3	Nieman_C_54	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=69; RAW_FILE_NAME(RAW_File)=Nieman_C_54.raw
SUBJECT_SAMPLE_FACTORS           	3	Nieman_C_55	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=70; RAW_FILE_NAME(RAW_File)=Nieman_C_55.raw
SUBJECT_SAMPLE_FACTORS           	3	Nieman_C_56	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=71; RAW_FILE_NAME(RAW_File)=Nieman_C_56.raw
SUBJECT_SAMPLE_FACTORS           	20	Nieman_C_57	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=72; RAW_FILE_NAME(RAW_File)=Nieman_C_57.raw
SUBJECT_SAMPLE_FACTORS           	20	Nieman_C_58	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=73; RAW_FILE_NAME(RAW_File)=Nieman_C_58.raw
SUBJECT_SAMPLE_FACTORS           	20	Nieman_C_59	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=74; RAW_FILE_NAME(RAW_File)=Nieman_C_59.raw
SUBJECT_SAMPLE_FACTORS           	29	Nieman_C_60	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=75; RAW_FILE_NAME(RAW_File)=Nieman_C_60.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_C_B_6	Sample source:Water | Sample_Type:Blank | Supplement:N/A | Timepoint:N/A	Analysis_Order=76; RAW_FILE_NAME(RAW_File)=Nieman_C_B_6.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_NIST_6	Sample source:Urine | Sample_Type:NIST Reference | Supplement:N/A | Timepoint:N/A	Analysis_Order=77; RAW_FILE_NAME(RAW_File)=Nieman_NIST_6.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_SP_6	Sample source:Urine | Sample_Type:Study Pool | Supplement:N/A | Timepoint:N/A	Analysis_Order=78; RAW_FILE_NAME(RAW_File)=Nieman_SP_6.raw
SUBJECT_SAMPLE_FACTORS           	29	Nieman_C_61	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=79; RAW_FILE_NAME(RAW_File)=Nieman_C_61.raw
SUBJECT_SAMPLE_FACTORS           	29	Nieman_C_62	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=80; RAW_FILE_NAME(RAW_File)=Nieman_C_62.raw
SUBJECT_SAMPLE_FACTORS           	29	Nieman_C_63	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=81; RAW_FILE_NAME(RAW_File)=Nieman_C_63.raw
SUBJECT_SAMPLE_FACTORS           	17	Nieman_C_64	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=82; RAW_FILE_NAME(RAW_File)=Nieman_C_64.raw
SUBJECT_SAMPLE_FACTORS           	17	Nieman_C_65	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=83; RAW_FILE_NAME(RAW_File)=Nieman_C_65.raw
SUBJECT_SAMPLE_FACTORS           	17	Nieman_C_66	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=84; RAW_FILE_NAME(RAW_File)=Nieman_C_66.raw
SUBJECT_SAMPLE_FACTORS           	17	Nieman_C_67	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=85; RAW_FILE_NAME(RAW_File)=Nieman_C_67.raw
SUBJECT_SAMPLE_FACTORS           	24	Nieman_C_68	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=86; RAW_FILE_NAME(RAW_File)=Nieman_C_68.raw
SUBJECT_SAMPLE_FACTORS           	24	Nieman_C_69	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=87; RAW_FILE_NAME(RAW_File)=Nieman_C_69.raw
SUBJECT_SAMPLE_FACTORS           	24	Nieman_C_70	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=88; RAW_FILE_NAME(RAW_File)=Nieman_C_70.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_C_B_7	Sample source:Water | Sample_Type:Blank | Supplement:N/A | Timepoint:N/A	Analysis_Order=89; RAW_FILE_NAME(RAW_File)=Nieman_C_B_7.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_NIST_7	Sample source:Urine | Sample_Type:NIST Reference | Supplement:N/A | Timepoint:N/A	Analysis_Order=90; RAW_FILE_NAME(RAW_File)=Nieman_NIST_7.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_SP_7	Sample source:Urine | Sample_Type:Study Pool | Supplement:N/A | Timepoint:N/A	Analysis_Order=91; RAW_FILE_NAME(RAW_File)=Nieman_SP_7.raw
SUBJECT_SAMPLE_FACTORS           	24	Nieman_C_71	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=92; RAW_FILE_NAME(RAW_File)=Nieman_C_71.raw
SUBJECT_SAMPLE_FACTORS           	11	Nieman_C_72	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=93; RAW_FILE_NAME(RAW_File)=Nieman_C_72.raw
SUBJECT_SAMPLE_FACTORS           	11	Nieman_C_73	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=94; RAW_FILE_NAME(RAW_File)=Nieman_C_73.raw
SUBJECT_SAMPLE_FACTORS           	11	Nieman_C_74	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=95; RAW_FILE_NAME(RAW_File)=Nieman_C_74.raw
SUBJECT_SAMPLE_FACTORS           	11	Nieman_C_75	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=96; RAW_FILE_NAME(RAW_File)=Nieman_C_75.raw
SUBJECT_SAMPLE_FACTORS           	26	Nieman_C_76	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=97; RAW_FILE_NAME(RAW_File)=Nieman_C_76.raw
SUBJECT_SAMPLE_FACTORS           	26	Nieman_C_77	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=98; RAW_FILE_NAME(RAW_File)=Nieman_C_77.raw
SUBJECT_SAMPLE_FACTORS           	26	Nieman_C_78	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=99; RAW_FILE_NAME(RAW_File)=Nieman_C_78.raw
SUBJECT_SAMPLE_FACTORS           	26	Nieman_C_79	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=100; RAW_FILE_NAME(RAW_File)=Nieman_C_79.raw
SUBJECT_SAMPLE_FACTORS           	12	Nieman_C_80	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=101; RAW_FILE_NAME(RAW_File)=Nieman_C_80.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_C_B_8	Sample source:Water | Sample_Type:Blank | Supplement:N/A | Timepoint:N/A	Analysis_Order=102; RAW_FILE_NAME(RAW_File)=Nieman_C_B_8.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_NIST_8	Sample source:Urine | Sample_Type:NIST Reference | Supplement:N/A | Timepoint:N/A	Analysis_Order=103; RAW_FILE_NAME(RAW_File)=Nieman_NIST_8.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_SP_8	Sample source:Urine | Sample_Type:Study Pool | Supplement:N/A | Timepoint:N/A	Analysis_Order=104; RAW_FILE_NAME(RAW_File)=Nieman_SP_8.raw
SUBJECT_SAMPLE_FACTORS           	12	Nieman_C_81	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=105; RAW_FILE_NAME(RAW_File)=Nieman_C_81.raw
SUBJECT_SAMPLE_FACTORS           	12	Nieman_C_82	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=106; RAW_FILE_NAME(RAW_File)=Nieman_C_82.raw
SUBJECT_SAMPLE_FACTORS           	12	Nieman_C_83	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=107; RAW_FILE_NAME(RAW_File)=Nieman_C_83.raw
SUBJECT_SAMPLE_FACTORS           	10	Nieman_C_84	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=108; RAW_FILE_NAME(RAW_File)=Nieman_C_84.raw
SUBJECT_SAMPLE_FACTORS           	10	Nieman_C_85	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=109; RAW_FILE_NAME(RAW_File)=Nieman_C_85.raw
SUBJECT_SAMPLE_FACTORS           	10	Nieman_C_86	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=110; RAW_FILE_NAME(RAW_File)=Nieman_C_86.raw
SUBJECT_SAMPLE_FACTORS           	10	Nieman_C_87	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=111; RAW_FILE_NAME(RAW_File)=Nieman_C_87.raw
SUBJECT_SAMPLE_FACTORS           	8	Nieman_C_88	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=112; RAW_FILE_NAME(RAW_File)=Nieman_C_88.raw
SUBJECT_SAMPLE_FACTORS           	8	Nieman_C_89	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=113; RAW_FILE_NAME(RAW_File)=Nieman_C_89.raw
SUBJECT_SAMPLE_FACTORS           	8	Nieman_C_90	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=114; RAW_FILE_NAME(RAW_File)=Nieman_C_90.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_C_B_9	Sample source:Water | Sample_Type:Blank | Supplement:N/A | Timepoint:N/A	Analysis_Order=115; RAW_FILE_NAME(RAW_File)=Nieman_C_B_9.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_NIST_9	Sample source:Urine | Sample_Type:NIST Reference | Supplement:N/A | Timepoint:N/A	Analysis_Order=116; RAW_FILE_NAME(RAW_File)=Nieman_NIST_9.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_SP_9	Sample source:Urine | Sample_Type:Study Pool | Supplement:N/A | Timepoint:N/A	Analysis_Order=117; RAW_FILE_NAME(RAW_File)=Nieman_SP_9.raw
SUBJECT_SAMPLE_FACTORS           	8	Nieman_C_91	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=118; RAW_FILE_NAME(RAW_File)=Nieman_C_91.raw
SUBJECT_SAMPLE_FACTORS           	23	Nieman_C_92	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=119; RAW_FILE_NAME(RAW_File)=Nieman_C_92.raw
SUBJECT_SAMPLE_FACTORS           	23	Nieman_C_93	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=120; RAW_FILE_NAME(RAW_File)=Nieman_C_93.raw
SUBJECT_SAMPLE_FACTORS           	23	Nieman_C_94	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=121; RAW_FILE_NAME(RAW_File)=Nieman_C_94.raw
SUBJECT_SAMPLE_FACTORS           	23	Nieman_C_95	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=122; RAW_FILE_NAME(RAW_File)=Nieman_C_95.raw
SUBJECT_SAMPLE_FACTORS           	7	Nieman_C_96	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T1	Analysis_Order=123; RAW_FILE_NAME(RAW_File)=Nieman_C_96.raw
SUBJECT_SAMPLE_FACTORS           	7	Nieman_C_97	Sample source:Urine | Sample_Type:Study | Supplement:Placebo | Timepoint:T2	Analysis_Order=124; RAW_FILE_NAME(RAW_File)=Nieman_C_97.raw
SUBJECT_SAMPLE_FACTORS           	7	Nieman_C_98	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T1	Analysis_Order=125; RAW_FILE_NAME(RAW_File)=Nieman_C_98.raw
SUBJECT_SAMPLE_FACTORS           	7	Nieman_C_99	Sample source:Urine | Sample_Type:Study | Supplement:Cranberry | Timepoint:T2	Analysis_Order=126; RAW_FILE_NAME(RAW_File)=Nieman_C_99.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_C_B_10	Sample source:Water | Sample_Type:Blank | Supplement:N/A | Timepoint:N/A	Analysis_Order=127; RAW_FILE_NAME(RAW_File)=Nieman_C_B_10.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_NIST_10	Sample source:Urine | Sample_Type:NIST Reference | Supplement:N/A | Timepoint:N/A	Analysis_Order=128; RAW_FILE_NAME(RAW_File)=Nieman_NIST_10.raw
SUBJECT_SAMPLE_FACTORS           	N/A	Nieman_SP_10	Sample source:Urine | Sample_Type:Study Pool | Supplement:N/A | Timepoint:N/A	Analysis_Order=129; RAW_FILE_NAME(RAW_File)=Nieman_SP_10.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	N/A
CO:SAMPLE_TYPE                   	Urine
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	N/A
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Study samples were shipped from Human Performance Laboratory (Nieman Laboratory)
SP:SAMPLEPREP_SUMMARY            	at Appalachian State University to the UNC NRI Metabolomics and Exposome
SP:SAMPLEPREP_SUMMARY            	Laboratory (MEL) on dry ice. The MEL thawed and transferred 50 µL of the study
SP:SAMPLEPREP_SUMMARY            	samples to a new set of tubes and used them for the analysis. An additional 10
SP:SAMPLEPREP_SUMMARY            	µL was taken from the original study sample and transferred to another tube to
SP:SAMPLEPREP_SUMMARY            	make the total study pool for this project, and then distributed with 50 µL per
SP:SAMPLEPREP_SUMMARY            	aliquot, used as quality control study pools (QC study pools) throughout the
SP:SAMPLEPREP_SUMMARY            	whole analysis. All sample aliquots (50 µL each) and QC study pools (50 µL
SP:SAMPLEPREP_SUMMARY            	each) were stored at -80° C until the day of sample preparation. Aliquots (50
SP:SAMPLEPREP_SUMMARY            	uL) of NIST urine (SRM 3672) reference material (50 µL each) were used as
SP:SAMPLEPREP_SUMMARY            	external urine reference. LC-MS grade water (50 µL) was used as blanks. All
SP:SAMPLEPREP_SUMMARY            	samples were thawed at 4°C overnight before the preparation. Samples, including
SP:SAMPLEPREP_SUMMARY            	study samples, study pool samples, NIST reference urine, and blanks were mixed
SP:SAMPLEPREP_SUMMARY            	with 400 µL methanol containing 500 ng/mL tryptophan-d5 as internal standard
SP:SAMPLEPREP_SUMMARY            	and vortexed by a multiple tube vortex mixer for 2 min at 5000 rpm at room
SP:SAMPLEPREP_SUMMARY            	temperature. All samples were centrifuged at 16,000 rcf for 10 min at 4°C. The
SP:SAMPLEPREP_SUMMARY            	supernatant (350 µL) was transferred into a pre-labeled 2.0 mL Lo-bind
SP:SAMPLEPREP_SUMMARY            	Eppendorf tube, dried by a SpeedVac overnight, and stored at -80° C. For
SP:SAMPLEPREP_SUMMARY            	immediate analysis, 100 µL of water-methanol solution (95:5, v/v) was used to
SP:SAMPLEPREP_SUMMARY            	reconstitute the dried extracts. Samples were thoroughly mixed on a multiple
SP:SAMPLEPREP_SUMMARY            	tube vortex mixer for 10 min at 5000 rpm at room temperature and then
SP:SAMPLEPREP_SUMMARY            	centrifuged at 4°C for 10 min at 16,000 rcf. The supernatant was transferred to
SP:SAMPLEPREP_SUMMARY            	pre-labeled autosampler vials for data acquisition by LC-MS.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACTION_METHOD             	Vortex with methanol containing 500ng/ml tryptophan-d5 as internal standard
SP:EXTRACT_STORAGE               	-80℃
SP:SAMPLE_RESUSPENSION           	Water-Methanol (95:5, v/v)
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Reversed phase
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid
CH:SOLVENT_B                     	100% methanol; 0.1% formic acid
CH:FLOW_GRADIENT                 	Time(min) Flow Rate(mL/min) %A %B Curve 1. 0 0.4 99.0 1.0 5 2. 1.00 0.4 99.0 1.0
CH:FLOW_GRADIENT                 	5 3. 16.00 0.4 1.0 99.0 5 4. 19.00 0.4 1.0 99.0 5 5. 19.50 0.4 99.0 1.0 5 6.
CH:FLOW_GRADIENT                 	22.00 0.4 99.0 1.0 5
CH:FLOW_RATE                     	0.4 mL/min
CH:COLUMN_TEMPERATURE            	50 ℃
CH:COLUMN_PRESSURE               	6000-10000 psi
CH:INJECTION_TEMPERATURE         	8 ℃
CH:INTERNAL_STANDARD             	Tryptophan-d5
CH:ANALYTICAL_TIME               	22 min
CH:WEAK_WASH_SOLVENT_NAME        	10% methanol/90% water; 0.1% formic acid
CH:STRONG_WASH_SOLVENT_NAME      	75% 2-Propanol/25% Water; 0.1% formic acid
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:DETECTOR_TYPE                 	Orbitrap
AN:SOFTWARE_VERSION              	Xcalibur 4.1.31.9
AN:ACQUISITION_DATE              	6/2/2023-6/16/2023
AN:DATA_FORMAT                   	Profile
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF-X Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Instrument: Thermo Q Exactive HFx Software: Xcalibur 4.1.31.9 for data
MS:MS_COMMENTS                   	acquisition; Progenesis QI 2.4 for data preprocessing
MS:CAPILLARY_TEMPERATURE         	320 °C
MS:CAPILLARY_VOLTAGE             	3.5 KV
MS:COLLISION_ENERGY              	20-45, ramp
MS:COLLISION_GAS                 	N2
MS:FRAGMENTATION_METHOD          	CID
MS:ION_SPRAY_VOLTAGE             	3.5kV
MS:IONIZATION                    	ES+
MS:MASS_ACCURACY                 	5 ppm
MS:DATAFORMAT                    	Profile
MS:DESOLVATION_GAS_FLOW          	55
MS:DESOLVATION_TEMPERATURE       	400 ℃
MS:MS_RESULTS_FILE               	ST003493_AN005733_Results.txt	UNITS:Normalized Intensity	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END