#METABOLOMICS WORKBENCH hhfuji11_20170922_072445 DATATRACK_ID:1245 STUDY_ID:ST000890 ANALYSIS_ID:AN001452 PROJECT_ID:PR000619
VERSION             	1
CREATED_ON             	November 8, 2017, 9:35 am
#PROJECT
PR:PROJECT_TITLE                 	Endogenous Retinoid X Receptor Ligands in Mouse Hemotopoietic Cells
PR:PROJECT_TYPE                  	MS Identification and Quantification of Ligands
PR:PROJECT_SUMMARY               	The retinoid X receptor α (RXRA) has been implicated in diverse hematological
PR:PROJECT_SUMMARY               	processes. However, it is unknown whether natural ligands of RXRA are present or
PR:PROJECT_SUMMARY               	regulated in hematopoietic cells. We quantified lipids in the serum of mice
PR:PROJECT_SUMMARY               	treated with a vitamin A deficient diet, a fatty acid deficient diet, and
PR:PROJECT_SUMMARY               	following phenylhydrazine treatment. In parallel, these serum samples were
PR:PROJECT_SUMMARY               	applied to RXRA reporter cells to identify conditions which contained increased
PR:PROJECT_SUMMARY               	concentrations of natural RXRA ligands. Mass spectrometry quantification of
PR:PROJECT_SUMMARY               	serum lipids was correlated with data from the RXRA reporter cells to identify
PR:PROJECT_SUMMARY               	serum lipids that increased in conditions associated with augmented RXRA ligand
PR:PROJECT_SUMMARY               	concentrations in the RXRA reporter assay.
PR:INSTITUTE                     	Washington University Scholl of Medicine
PR:DEPARTMENT                    	Diabetic Cardiovascular Disease Center, School of Medicine
PR:LABORATORY                    	Metabolomics Core
PR:LAST_NAME                     	Fujiwara
PR:FIRST_NAME                    	Hideji
PR:ADDRESS                       	660 South Euclide Avenue, St. Lois, MO 63110
PR:EMAIL                         	hfujiwar@wustl.edu
PR:PHONE                         	314-747-0494
PR:FUNDING_SOURCE                	NIH R01 HL128447, NIH P30 DK020579
PR:PUBLICATIONS                  	Science Signaling 2018, being accepted for publication
PR:CONTRIBUTORS                  	Haixia Niu, Hideji Fujiwara, Orsola di Martino, Gayla Hadwiger, Thomas E.
PR:CONTRIBUTORS                  	Frederick, María P. Menéndez-Gutiérrez, Mercedes Ricote, Gregory R. Bowman,
PR:CONTRIBUTORS                  	John S. Welch
#STUDY
ST:STUDY_TITLE                   	Identification of RXR Ligands
ST:STUDY_TYPE                    	Idenfication of Ligands by HPLC-MS
ST:STUDY_SUMMARY                 	Free fatty acids in mouse plasma were identified and quantified by LC-MS.
ST:STUDY_SUMMARY                 	Through differential feeding and PHZ (phnylhydrazine) dosing, coupled with mass
ST:STUDY_SUMMARY                 	spectrometry, we identified the long chain fatty acid C24:5 as a natural RXRA
ST:STUDY_SUMMARY                 	ligand, which was dynamically increased in concentration in response to
ST:STUDY_SUMMARY                 	hematopoietic stress. Collectively, these data demonstrate that natural RXRA
ST:STUDY_SUMMARY                 	ligands are present and are dynamically regulated in vivo in mouse hematopoietic
ST:STUDY_SUMMARY                 	cells.
ST:INSTITUTE                     	Washington University School of Medicine
ST:DEPARTMENT                    	Diabetic Cardiovascular Disease Center
ST:LABORATORY                    	Metabolomics Core
ST:LAST_NAME                     	Fujiwara
ST:FIRST_NAME                    	Hideji
ST:ADDRESS                       	660 South Euclid Ave, St. Louis MO 63110
ST:EMAIL                         	hfujiwar@wustl.edu
ST:PHONE                         	314-747-0494
#SUBJECT
SU:SUBJECT_TYPE                  	Animals
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57/B6
SU:AGE_OR_AGE_RANGE              	8-16 weeks
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	mouse serum	4629 PB1-PHZ	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4630 PB1-PHZ	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4632 PB1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4633 PB1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4629 BM1-PHZ	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4630 BM1-PHZ	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4632 BM1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4633 BM1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4629 PB2-PHZ	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4630 PB2-PHZ	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4632 PB2	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4633 PB2	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4629 BM2-PHZ	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4630 BM2-PHZ	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4632 BM2	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	4633 BM2	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD1-11	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD1-21	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD1-31	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD1-41	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ1-11	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ1-21	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ1-31	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ1-41	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD1-12	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD1-22	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD1-32	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD1-42	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ1-12	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ1-22	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ1-32	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ1-42	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-2	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-3	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-4	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-PHZ-1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-PHZ-2	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-PHZ-3	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-PHZ-4	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-PHZ-5	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-1	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-2	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-3	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-11	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-21	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-31	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-PHZ-21	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-PHZ-31	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-PHZ-41	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NFC-PHZ-11	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NFC-PHZ-21	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-12	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-22	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-32	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-PHZ-22	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-PHZ-32	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-PHZ-42	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NFC-PHZ-12	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NFC-PHZ-22	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-13	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-23	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-33	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-PHZ-23	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-PHZ-33	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NF-PHZ-43	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NFC-PHZ-13	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	NFC-PHZ-23	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VDAC21	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VDAC31	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VDAC41	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VDAC51	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD2-11	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD2-21	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD2-31	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD2-41	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD2-51	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ2-11	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ2-21	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ2-31	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ2-41	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ2-51	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	FC-11	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	FC-21	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	FC-31	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	FC-41	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	F-11	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	F-21	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	F-31	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	F-41	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	F-51	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VDAC22	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VDAC32	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VDAC42	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VDAC52	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD2-12	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD2-22	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD2-32	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD2-42	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD2-52	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ2-12	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ2-22	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ2-32	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ2-42	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD-PHZ2-52	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	
SUBJECT_SAMPLE_FACTORS           	mouse serum	FC-12	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	FC-22	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	FC-32	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	FC-42	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	F-12	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	F-22	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	F-32	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	F-42	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	F-52	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD3-11	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD3-21	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD3-31	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD3-41	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD3-51	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD3-12	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD3-22	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD3-32	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD3-42	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VAD3-52	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-13	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-23	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-33	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-43	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
SUBJECT_SAMPLE_FACTORS           	mouse serum	VADC-53	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse plasma was collected by obtaining peripheral blood via peri-orbital
CO:COLLECTION_SUMMARY            	bleeding. Approximately 100 ul blood is placed in a microvette vial with
CO:COLLECTION_SUMMARY            	pre-loaded KEDTA and then centrifuged at 14,000 rpm for 10 minutes at 4 degrees.
CO:COLLECTION_SUMMARY            	Plasma is removed and stored at -80 C until analysis.
#TREATMENT
TR:TREATMENT_SUMMARY             	Phenylhydrazine was administered at 1mg once on day 1 and plasma was collected
TR:TREATMENT_SUMMARY             	on day 4. Vitamin A deficient diet: Teklad, TD.86143. Control diet: Teklad,
TR:TREATMENT_SUMMARY             	TD.91280. Fatty acid deficient diet: Teklad, TD.03314. Control diet: Teklad,
TR:TREATMENT_SUMMARY             	TD.130321.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For free fatty acids analysis, 100 μL of plasma extraction sample or 400 μL
SP:SAMPLEPREP_SUMMARY            	pull-down samples was used for DMAPA (dimethylaminopropylamine) derivatization
SP:SAMPLEPREP_SUMMARY            	for improving MS sensitivity of free fatty acids. Prior to the derivatization,
SP:SAMPLEPREP_SUMMARY            	50 ng of AA-d8 (deuterated arachidonic acid –d8) as the internal standard was
SP:SAMPLEPREP_SUMMARY            	added to each sample. The solvents in the sample were dried under a stream of
SP:SAMPLEPREP_SUMMARY            	nitrogen. To derivatize the sample, 50 μL of 50 mM EDC
SP:SAMPLEPREP_SUMMARY            	(N-ethyl-N-(3-dimethylaminopropyl)-carbodiimide hydrochloride) and 50 mM DMAPA
SP:SAMPLEPREP_SUMMARY            	and 50 mM DMAP (4-dimethylaminopyridine) were added to the dried fatty acid
SP:SAMPLEPREP_SUMMARY            	samples and heated at 50 ◦C for 30 minutes. The samples were dried under
SP:SAMPLEPREP_SUMMARY            	nitrogen and then dissolved in 1 mL of ethanol : water for MS.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	For DMAPA derivatized Fatty acid analysis. Shimadzu 20AD two pump system was
CH:CHROMATOGRAPHY_SUMMARY        	used. Solvent A: 0.1% formic acid in water. Solvent B: 0.1% in Acetonitrile. The
CH:CHROMATOGRAPHY_SUMMARY        	initial LC condition was 30% B. The solvent gradient was programmed from 30% B
CH:CHROMATOGRAPHY_SUMMARY        	to 99% B in 4 min and was hold for 1 min at the flow rate of 1 mL/min. Then, it
CH:CHROMATOGRAPHY_SUMMARY        	was immediately brought back to 30 % B and was hold for 2 min. An Agilent
CH:CHROMATOGRAPHY_SUMMARY        	Eclipse XDB-C18 column (3.0 x100 mm x 3.5 µm) was used for this analysis.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Shimadzu 20AD
CH:COLUMN_NAME                   	Agilent Eclipse XDB-C18 (100 x 3.0mm,3.5um)
CH:FLOW_GRADIENT                 	30% B to 99% B in 4 min
CH:FLOW_RATE                     	1 mL/min
CH:COLUMN_TEMPERATURE            	60 C
CH:SOLVENT_A                     	0.1% formic acid in water
CH:SOLVENT_B                     	0.1% formic acid in ACN
CH:ANALYTICAL_TIME               	7 min
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	ABI Sciex API 4000 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	peak area ratio
MS_METABOLITE_DATA_START
Samples	4629 PB1-PHZ	4630 PB1-PHZ	4632 PB1	4633 PB1	4629 BM1-PHZ	4630 BM1-PHZ	4632 BM1	4633 BM1	4629 PB2-PHZ	4630 PB2-PHZ	4632 PB2	4633 PB2	4629 BM2-PHZ	4630 BM2-PHZ	4632 BM2	4633 BM2	VAD1-11	VAD1-21	VAD1-31	VAD1-41	VAD-PHZ1-11	VAD-PHZ1-21	VAD-PHZ1-31	VAD-PHZ1-41	VAD1-12	VAD1-22	VAD1-32	VAD1-42	VAD-PHZ1-12	VAD-PHZ1-22	VAD-PHZ1-32	VAD-PHZ1-42	VADC-1	VADC-2	VADC-3	VADC-4	VADC-PHZ-1	VADC-PHZ-2	VADC-PHZ-3	VADC-PHZ-4	VADC-PHZ-5	NF-1	NF-2	NF-3	NF-11	NF-21	NF-31	NF-PHZ-21	NF-PHZ-31	NF-PHZ-41	NFC-PHZ-11	NFC-PHZ-21	NF-12	NF-22	NF-32	NF-PHZ-22	NF-PHZ-32	NF-PHZ-42	NFC-PHZ-12	NFC-PHZ-22	NF-13	NF-23	NF-33	NF-PHZ-23	NF-PHZ-33	NF-PHZ-43	NFC-PHZ-13	NFC-PHZ-23
Factors	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:vitamin A deficient diet | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):12 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):mock	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:Non-fat-diet | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1	Diet of subject mice:control chow | Feeding period (wk):4 | PHZ dose (mg):1
Fatty Acid C18:3 α-Linoleic acid	1.37	1.13	0.865	0.875	0.332	0.498	0.659	0.291	1.4	1.15	0.873	0.853	0.298	0.519	0.72	0.276	0.488	0.704	0.6	0.446	0.857	0.649	0.627	0.793	0.459	0.685	0.583	0.474	0.88	0.663	0.58	0.769	0.435	0.408	0.339	0.795	0.906	0.941	0.734	0.98	0.606	1.61	2.07	1.32	1.84	2.14	1.23	1.6	1.1	2.19	3.18	4.09	1.86	2.32	1.26	1.78	1	2.24	3.13	4.03	1.51	2.24	1.24	1.85	1.11	2.25	3.11	4.12
Fatty Acid C20:2 Eicosadienoic acid	0.371	0.284	0.182	0.433	0.27	0.528	0.384	0.238	0.361	0.289	0.17	0.413	0.241	0.551	0.411	0.251	0.212	0.18	0.248	0.191	0.401	0.245	0.241	0.321	0.221	0.183	0.267	0.182	0.407	0.234	0.222	0.293	0.317	0.248	0.33	0.303	0.539	0.782	0.538	0.693	0.457	0.96	0.985	0.766	1.05	0.967	0.734	0.977	0.882	0.887	1.8	1.85	1.08	1.09	0.726	1.05	0.88	0.944	1.71	1.66	1.12	1.05	0.703	1.06	0.841	0.977	1.89	1.9
Fatty Acid C20:3 Mead acid	0.357	0.274	0.252	0.238	0.28	0.396	0.316	0.181	0.365	0.26	0.251	0.23	0.254	0.415	0.337	0.209	0.332	0.229	0.349	0.269	0.597	0.23	0.263	0.373	0.32	0.238	0.329	0.258	0.6	0.24	0.25	0.342	0.588	0.44	0.447	0.435	0.838	0.859	0.736	0.761	0.731	0.922	0.927	0.669	1.01	0.868	0.755	1.01	0.862	1.15	1.03	1.25	1.08	0.879	0.653	1.07	0.802	1.17	1.09	1.05	1.13	0.963	0.632	1.15	0.847	1.25	1.25	1.42
Fatty Acid C20:5	0.298	0.212	0.208	0.182	0.11	0.213	0.178	0.104	0.298	0.219	0.207	0.197	0.0986	0.202	0.191	0.106	0	0.0161	0.00724	0.0135	0.00309	0.015	0.0152	0.0205	0.0108	0.00908	0.0141	0.0131	0	0.0174	0.0135	0.00752	0.0203	0.0147	0	0.0268	0.0316	0.0505	0.0389	0.0484	0.0844	0.153	0.212	0.302	0.475	0.214	0.605	0.635	0.166	0.631	0.217	0.647	0.476	0.26	0.563	0.408	0.166	0.315	0.204	0.645	0.136	0.224	0.534	0.396	0.16	0.314	0.173	0.343
Fatty Acid C22:0 Behenic acid	0.138	0.124	0.121	0.37	0.194	0.259	0.239	0.185	0.136	0.121	0.12	0.359	0.183	0.283	0.255	0.195	0.0977	0.104	0.11	0.108	0.101	0.0965	0.0927	0.0972	0.103	0.105	0.108	0.105	0.102	0.0932	0.0945	0.101	0.109	0.103	0.0853	0.116	0.138	0.16	0.11	0.157	0.0853	0.475	0.477	0.369	0.434	0.378	0.338	0.349	0.276	0.372	0.648	0.69	0.388	0.411	0.332	0.377	0.287	0.376	0.638	0.731	0.328	0.425	0.33	0.392	0.323	0.365	0.656	0.81
Fatty Acid C22:1 Erucic acid	0.0438	0.0314	0.0246	0.111	0.0347	0.052	0.0442	0.0419	0.0437	0.0281	0.025	0.113	0.0325	0.0527	0.051	0.0471	0.0451	0.0487	0.0572	0.0539	0.049	0.039	0.0706	0.044	0.0444	0.0433	0.0526	0.051	0.0471	0.0363	0.0647	0.0414	0.037	0.0442	0.034	0.0459	0.0634	0.079	0.0421	0.0474	0.0299	0.0831	0.122	0.0833	0.0819	0.117	0.0803	0.148	0.12	0.124	0.18	0.21	0.0739	0.113	0.0745	0.164	0.11	0.127	0.188	0.2	0.0797	0.116	0.0783	0.183	0.119	0.143	0.188	0.209
Fatty Acid C22:2 Docosadienoic acid	0.0204	0.0326	0.0141	0.0717	0.0436	0.105	0.0557	0.0395	0.0244	0.0339	0.0154	0.0817	0.0423	0.111	0.0619	0.0482	1.36	1.25	1.32	1.26	1.34	1.34	1.36	1.5	1.36	1.25	1.3	1.25	1.43	1.35	1.28	1.45	1.66	1.55	1.27	1.4	1.39	1.33	1.31	1.22	1.34	2.53	2.76	2.67	2.82	3.27	3.07	3.01	2.82	2.87	3.43	3.40	3.17	3.52	3.11	3.22	3.19	3.04	3.82	3.51	3.00	3.50	3.21	3.64	3.34	3.41	3.99	4.08
Fatty Acid C22:3	0.0156	0.0169	0.00795	0.0655	0.0336	0.0446	0.0274	0.0184	0.0131	0.0167	0.00806	0.0654	0.0289	0.0449	0.0277	0.0176	0.0214	0.0161	0.0193	0.0182	0.0458	0.0198	0.0283	0.0262	0.0199	0.0201	0.0206	0.0176	0.0612	0.0211	0.0271	0.0263	0.0277	0.0208	0.0342	0.0254	0.0621	0.076	0.0566	0.0576	0.0545	0.193	0.203	0.116	0.193	0.196	0.115	0.155	0.158	0.132	0.286	0.278	0.196	0.211	0.11	0.161	0.154	0.134	0.278	0.268	0.199	0.208	0.11	0.181	0.171	0.14	0.31	0.289
Fatty Acid C22:4 Docosateraenoic acid	0.174	0.228	0.0822	0.0888	0.236	0.458	0.295	0.196	0.168	0.221	0.0824	0.0868	0.207	0.478	0.307	0.205	0.393	0.424	0.437	0.377	0.91	0.668	0.491	0.745	0.436	0.449	0.417	0.373	0.965	0.692	0.459	0.715	0.408	0.338	0.357	0.452	0.936	0.919	0.793	0.849	0.766	0.139	0.11	0.107	0.157	0.126	0.117	0.183	0.156	0.231	0.533	0.521	0.162	0.132	0.104	0.182	0.139	0.239	0.492	0.511	0.141	0.127	0.105	0.209	0.162	0.248	0.541	0.584
Fatty Acid C22:5	0.396	0.422	0.172	0.17	0.222	0.567	0.321	0.197	0.381	0.436	0.189	0.165	0.202	0.567	0.35	0.198	0.872	0.813	0.729	0.845	1.42	1.06	0.844	1.23	0.863	0.877	0.724	0.81	1.47	1.02	0.818	1.19	0.653	0.634	0.737	0.729	1.27	1.22	1.09	1.12	0.971	0.291	0.155	0.191	0.306	0.167	0.192	0.187	0.206	0.195	0.529	0.531	0.303	0.164	0.166	0.195	0.195	0.201	0.536	0.509	0.303	0.158	0.19	0.205	0.198	0.228	0.578	0.583
Fatty Acid C22:6 Docosahexaenoic acid	1.3	1.27	0.908	0.895	0.567	1.4	0.758	0.526	1.33	1.32	0.926	0.893	0.536	1.38	0.78	0.534	0.188	0.158	0.189	0.16	0.167	0.166	0.114	0.183	0.189	0.172	0.18	0.151	0.179	0.167	0.111	0.173	0.194	0.148	0.129	0.159	0.234	0.241	0.208	0.232	0.167	2.34	2.22	1.91	2.55	2.35	1.94	2.53	2.19	2.36	2.83	3.49	2.64	2.32	1.82	2.4	2.06	2.21	2.93	3.14	2.64	2.36	1.84	2.68	2.13	2.46	3.19	3.47
Fatty Acid C24:0 Lignoceric acid	0.125	0.127	0.137	0.665	0.329	0.383	0.322	0.301	0.168	0.152	0.143	0.665	0.285	0.415	0.354	0.32	0.128	0.153	0.116	0.121	0.113	0.119	0.125	0.113	0.114	0.114	0.109	0.101	0.114	0.099	0.1	0.102	0.117	0.111	0.0976	0.135	0.167	0.167	0.113	0.215	0.105	0.111	0.134	0.0923	0.0914	0.0947	0.0824	0.11	0.0848	0.111	0.194	0.176	0.0842	0.102	0.0827	0.125	0.103	0.121	0.193	0.211	0.0917	0.107	0.117	0.129	0.0913	0.119	0.244	0.248
Fatty Acid C24:1	0.137	0.234	0.135	0.208	0.361	0.516	0.427	0.363	0.138	0.213	0.138	0.207	0.318	0.502	0.451	0.348	0.0893	0.0859	0.0876	0.0856	0.0867	0.117	0.0908	0.0971	0.0792	0.0882	0.0745	0.0896	0.0828	0.11	0.0879	0.0886	0.109	0.126	0.105	0.116	0.114	0.103	0.0954	0.105	0.0888	0.393	0.426	0.435	0.365	0.376	0.39	0.335	0.289	0.352	0.537	0.489	0.368	0.427	0.385	0.391	0.308	0.401	0.587	0.567	0.327	0.428	0.43	0.345	0.349	0.406	0.575	0.611
Fatty Acid C24:2	0.0326	0.0693	0.0204	0.0269	0.196	0.286	0.245	0.233	0.0336	0.0644	0.0189	0.0282	0.182	0.286	0.264	0.251	0.0143	0.0127	0.0121	0.0151	0.0194	0.0233	0.0232	0.0211	0.0111	0.0154	0.0118	0.0126	0.0206	0.0266	0.0206	0.0189	0.0162	0.0143	0.0135	0.0138	0.0186	0.0174	0.0166	0.0203	0.0175	0.0116	0.0103	0.013	0.0145	0.0104	0.0106	0.0142	0.0127	0.0155	0.0341	0.0347	0.0117	0.0135	0.0139	0.0171	0.014	0.0171	0.0296	0.0333	0.0111	0.0146	0.0142	0.016	0.0139	0.0177	0.031	0.0402
Fatty Acid C24:3	0.00244	0.00487	0.00184	0.00415	0.0117	0.0171	0.0102	0.00829	0.00245	0.00381	0.00192	0.00368	0.00979	0.019	0.0106	0.00814	0.00254	0.00228	0.00262	0.00298	0.00408	0.00231	0.00279	0.00301	0.00216	0.00203	0.00245	0.00388	0.00384	0.00237	0.00323	0.00346	0.00364	0.00382	0.00259	0.00299	0.00389	0.00311	0.00342	0.00259	0.00328	0.0244	0.0249	0.0165	0.0251	0.0232	0.018	0.0116	0.0141	0.00963	0.0176	0.0204	0.0207	0.0241	0.0164	0.0132	0.0133	0.0108	0.0213	0.0206	0.0219	0.0256	0.0192	0.0133	0.0149	0.0116	0.0215	0.025
Fatty Acid C24:4	0.0117	0.0328	0.00601	0.00494	0.0234	0.0775	0.0248	0.0167	0.014	0.033	0.00493	0.00461	0.0216	0.077	0.0265	0.0177	0.0392	0.034	0.0323	0.0333	0.0497	0.0645	0.0421	0.0479	0.0349	0.0328	0.0309	0.0322	0.0563	0.0678	0.0376	0.0496	0.0343	0.033	0.0373	0.0371	0.079	0.0922	0.065	0.0874	0.0688	0.00137	0.0124	0.00818	0.00919	0.0127	0.0075	0.0115	0.0123	0.0172	0.0434	0.0485	0.00865	0.0108	0.00592	0.0133	0.0108	0.0182	0.053	0.048	0.0101	0.0196	0.00765	0.0149	0.0127	0.0204	0.0552	0.0637
Fatty Acid C24:5	0.0491	0.078	0.0158	0.0139	0.0141	0.0467	0.0195	0.0128	0.049	0.077	0.0134	0.013	0.0136	0.0492	0.0205	0.0114	0.035	0.0317	0.0267	0.0332	0.119	0.0427	0.0561	0.0515	0.0363	0.0317	0.0272	0.0314	0.123	0.0399	0.0507	0.0507	0.0281	0.0257	0.024	0.031	0.108	0.128	0.1	0.112	0.103	0.0247	0.0272	0.0141	0.0265	0.0269	0.0155	0.0421	0.0394	0.0559	0.128	0.117	0.0278	0.0279	0.018	0.0454	0.032	0.0562	0.133	0.114	0.0316	0.0293	0.0161	0.0477	0.0363	0.0594	0.129	0.136
Fatty Acid C24:6	0.0578	0.0319	0.0282	0.0259	0.0139	0.0486	0.0237	0.0126	0.0558	0.0321	0.0282	0.0288	0.0124	0.0487	0.0241	0.012	0.00182	0.00224	0.00272	0.00173	0.00368	0.00199	0.00372	0.00394	0.00232	0.00207	0.00227	0.00233	0.00423	0.00231	0.00382	0.00296	0.00179	0.00171	0.00184	0.00261	0.0066	0.0124	0.00911	0.0125	0.0048	0.0293	0.0197	0.0137	0.0288	0.0222	0.0128	0.0394	0.0257	0.048	0.0282	0.0334	0.0285	0.0234	0.0137	0.0422	0.0271	0.0506	0.0268	0.0328	0.0298	0.0223	0.0127	0.0414	0.0283	0.0504	0.0261	0.0327
Fatty Acid C26:0 Cerotic acid	0.0563	0.0541	0.0622	0.403	0.119	0.108	0.103	0.12	0.0831	0.0705	0.0689	0.425	0.114	0.113	0.126	0.13	0.0775	0.0758	0.0603	0.0549	0.0651	0.0672	0.076	0.0607	0.0602	0.0658	0.0565	0.0498	0.0526	0.0519	0.0551	0.0563	0.0728	0.0585	0.0535	0.075	0.0822	0.0711	0.0669	0.108	0.0656	0.0158	0.0198	0.014	0.0138	0.013	0.013	0.0121	0.0112	0.0134	0.0201	0.0197	0.0141	0.0125	0.0122	0.0129	0.0117	0.0134	0.0242	0.0234	0.0133	0.0147	0.0156	0.0164	0.0133	0.0166	0.0314	0.0289
Fatty Acid C26:1	0.00581	0.00346	0.00398	0.0782	0.018	0.0199	0.0129	0.0115	0.00747	0.00386	0.00505	0.0759	0.0166	0.0225	0.015	0.0121	0.000399	0.000163	0.000418	0.000169	0.000399	0.000412	0.000221	0.00041	0.000445	0.00016	0.000289	0.000219	0.000613	0.000531	0.000126	0.000158	0.000432	0.00087	0.000462	0.000409	0.000315	0.000209	0.000484	0.000216	0.000321	0.00497	0.00861	0.00768	0.00463	0.0062	0.00676	0.00872	0.00443	0.00838	0.0192	0.016	0.00502	0.00754	0.00544	0.0091	0.00513	0.00857	0.0194	0.0202	0.00451	0.00718	0.00617	0.00914	0.00627	0.00985	0.0235	0.0247
Fatty Acid C26:2	0.00131	0.0014	0.000756	0.00399	0.0127	0.0201	0.00707	0.00716	0.00133	0.00175	0.000525	0.00397	0.0108	0.0206	0.00723	0.00687	0.000222	0.000111	0.000151	0.000196	0.00014	0.0000725	0.0000676	0.000236	0.000302	0.00016	0.000384	0.000172	0.0002	0.000081	0.000118	0.000158	0.000138	0.00011	0.000293	0.000189	0.000249	0.000235	0.00013	0.000102	0.0000563	0.000744	0.000928	0.000529	0.000486	0.000716	0.000887	0.00111	0.000862	0.000863	0.00155	0.00235	0.00079	0.000764	0.000528	0.0016	0.000629	0.000912	0.00158	0.00256	0.000877	0.000952	0.000924	0.0012	0.000858	0.0012	0.0017	0.00289
Fatty Acid C26:3	0.000697	0.000897	0.000421	0.00131	0.00271	0.0039	0.000875	0.00097	0.000463	0.000788	0.000535	0.00101	0.00242	0.00431	0.00123	0.000895	0.0000544	0.0000343	0.0000578	0.0000534	0.0000933	0.0000725	0.0000271	0.0000802	0.0000526	0.0000867	0.0000777	0.0000171	0.0000799	0.000117	0	0.000145	0.0000134	0.0000722	0.000115	0.000121	0.0000525	0.0000305	0.000143	0.0000424	0.0000477	0.0011	0.00103	0.000681	0.000614	0.00066	0.000347	0.000765	0.00095	0.000617	0.000559	0.00124	0.000724	0.000732	0.000642	0.000699	0.000316	0.000348	0.000808	0.00101	0.00103	0.000708	0.000443	0.000898	0.000328	0.000662	0.00102	0.00158
Fatty Acid C26:4	0.000734	0.00134	0.000304	0.000488	0.00177	0.00748	0.00191	0.00139	0.000692	0.00149	0.000404	0.000786	0.00172	0.0085	0.00223	0.00166	0.000132	0.00015	0.0000489	0.0000712	0.000301	0.000199	0.000131	0.000098	0.000166	0.000221	0.000376	0.000253	0.000155	0.000176	0.0000421	0.000145	0.000129	0.000102	0.000102	0.0000989	0.000105	0.000118	0.000104	0.000166	0.000113	0.000842	0.000793	0.000972	0.000722	0.00129	0.00114	0.00109	0.000849	0.000665	0.00135	0.00195	0.00122	0.000918	0.000962	0.000924	0.000701	0.000635	0.00186	0.00256	0.00111	0.000899	0.000793	0.000919	0.000796	0.000748	0.00209	0.00338
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID	CAS Number
Fatty Acid C18:3 α-Linoleic acid		363.2	5280934		463-40-1
Fatty Acid C20:2 Eicosadienoic acid		393.3	6439848		2091-39-6
Fatty Acid C20:3 Mead acid		391.3	5312531		20590-32-3
Fatty Acid C20:5		387.3
Fatty Acid C22:0 Behenic acid		425.3	8215		112-85-6
Fatty Acid C22:1 Erucic acid		423.3	5281116		112-86-7
Fatty Acid C22:2 Docosadienoic acid		421.3	5312554		7370-49-2
Fatty Acid C22:3		419.3
Fatty Acid C22:4 Docosateraenoic acid		417.3	5497181		5561-99-9
Fatty Acid C22:5		415.3
Fatty Acid C22:6 Docosahexaenoic acid		413.3	445580		28874-58-0
Fatty Acid C24:0 Lignoceric acid		453.3	11197		557-59-5
Fatty Acid C24:1		451.3
Fatty Acid C24:2		449.3
Fatty Acid C24:3		447.3
Fatty Acid C24:4		445.3
Fatty Acid C24:5		443.3
Fatty Acid C24:6		441.3
Fatty Acid C26:0 Cerotic acid		481.3	10469		506-46-7
Fatty Acid C26:1		479.3
Fatty Acid C26:2		477.3
Fatty Acid C26:3		475.3
Fatty Acid C26:4		473.3
METABOLITES_END
#END