#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