#METABOLOMICS WORKBENCH hjyoo2_20231006_185838 DATATRACK_ID:4379 STUDY_ID:ST002923 ANALYSIS_ID:AN004793 PROJECT_ID:PR001816 VERSION 1 CREATED_ON October 11, 2023, 1:26 pm #PROJECT PR:PROJECT_TITLE Gut sphingolipid metabolites in infants with atopic dermatitis associated with PR:PROJECT_TITLE food allergy PR:PROJECT_SUMMARY This study determines S1P, ceradmides, sphingomyelins and diacylglycerols from PR:PROJECT_SUMMARY infant feces to explore differential sphingolipid metabolism associated with PR:PROJECT_SUMMARY food allergy in atopic dermatitis. PR:INSTITUTE Asan Medical Center PR:LAST_NAME Yoo PR:FIRST_NAME Hyun Ju PR:ADDRESS 88, Olympic-ro, 43-gil, Songpa-gu, Seoul, Seoul, 05505, Korea, South PR:EMAIL yoohyunju@amc.seoul.kr PR:PHONE 02-3010-4029 #STUDY ST:STUDY_TITLE Gut sphingolipid metabolites in infants with atopic dermatitis associated with ST:STUDY_TITLE food allergy - Part 1 ST:STUDY_SUMMARY Food allergy (FA) may be present in the range of 20–80% in atopic dermatitis ST:STUDY_SUMMARY (AD). Food sensitization through the skin can cause FA due to damage to the skin ST:STUDY_SUMMARY barrier, and failure to acquire tolerance to food allergens in the gut can ST:STUDY_SUMMARY equally cause the development of FA. Gut metabolites can influence the physical ST:STUDY_SUMMARY gut barrier and intestinal homeostasis. Therefore, it is possible that gut ST:STUDY_SUMMARY metabolites related to gut immunity play an important role in the development of ST:STUDY_SUMMARY FA. Sphingolipids are key factors in cell inflammatory response and affect gut ST:STUDY_SUMMARY epithelial cells and skin barrier integrity and function. FA is associated with ST:STUDY_SUMMARY a marked decrease in serum sphingolipid levels. However, there are no reports of ST:STUDY_SUMMARY FA-associated gut sphingolipid metabolites in infants by targeted metabolomics. ST:STUDY_SUMMARY In our previous study, we showed that when FA is present in various phenotypes ST:STUDY_SUMMARY of AD in early life, it might be associated with the later development of ST:STUDY_SUMMARY asthma. The discovery of a biomarker that can distinguish the phenotypes that ST:STUDY_SUMMARY accompany AD and FA from other AD phenotypes is therefore expedient. ST:STUDY_SUMMARY Consequently, we aimed to investigate whether FA in AD infants. can be ST:STUDY_SUMMARY classified as gut sphingolipid metabolites using targeted metabolomics. ST:INSTITUTE Asan Medical Center ST:LAST_NAME Yoo ST:FIRST_NAME Hyun Ju ST:ADDRESS 88, Olympic-ro 43-gil, Songpa-gu ST:EMAIL d131108@ulsan.ac.kr ST:PHONE 0230104029 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE infant SU:GENDER Not applicable SU:HUMAN_RACE Pacific asian #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 AD_1 AD_1 Factor:AD Batch=set1; RAW_FILE_NAME=AD_1.raw SUBJECT_SAMPLE_FACTORS AD_2 AD_2 Factor:AD Batch=set1; RAW_FILE_NAME=AD_2.raw SUBJECT_SAMPLE_FACTORS AD_3 AD_3 Factor:AD Batch=set1; RAW_FILE_NAME=AD_3.raw SUBJECT_SAMPLE_FACTORS AD_4 AD_4 Factor:AD Batch=set2; RAW_FILE_NAME=AD_4.raw SUBJECT_SAMPLE_FACTORS AD_5 AD_5 Factor:AD Batch=set2; RAW_FILE_NAME=AD_5.raw SUBJECT_SAMPLE_FACTORS AD_6 AD_6 Factor:AD Batch=set2; RAW_FILE_NAME=AD_6.raw SUBJECT_SAMPLE_FACTORS AD_7 AD_7 Factor:AD Batch=set2; RAW_FILE_NAME=AD_7.raw SUBJECT_SAMPLE_FACTORS AD_8 AD_8 Factor:AD Batch=set3; RAW_FILE_NAME=AD_8.raw SUBJECT_SAMPLE_FACTORS AD_9 AD_9 Factor:AD Batch=set3; RAW_FILE_NAME=AD_9.raw SUBJECT_SAMPLE_FACTORS AD_10 AD_10 Factor:AD Batch=set3; RAW_FILE_NAME=AD_10.raw SUBJECT_SAMPLE_FACTORS AD_12 AD_12 Factor:AD Batch=set4; RAW_FILE_NAME=AD_12.raw SUBJECT_SAMPLE_FACTORS AD_13 AD_13 Factor:AD Batch=set4; RAW_FILE_NAME=AD_13.raw SUBJECT_SAMPLE_FACTORS AD_14 AD_14 Factor:AD Batch=set4; RAW_FILE_NAME=AD_14.raw SUBJECT_SAMPLE_FACTORS AD_15 AD_15 Factor:AD Batch=set4; RAW_FILE_NAME=AD_15.raw SUBJECT_SAMPLE_FACTORS AD_16 AD_16 Factor:AD Batch=set4; RAW_FILE_NAME=AD_16.raw SUBJECT_SAMPLE_FACTORS AD_11 AD_11 Factor:AD Batch=set4; RAW_FILE_NAME=AD_11.raw SUBJECT_SAMPLE_FACTORS AD_17 AD_17 Factor:AD Batch=set5; RAW_FILE_NAME=AD_17.raw SUBJECT_SAMPLE_FACTORS AD_18 AD_18 Factor:AD Batch=set5; RAW_FILE_NAME=AD_18.raw SUBJECT_SAMPLE_FACTORS AD_19 AD_19 Factor:AD Batch=set5; RAW_FILE_NAME=AD_19.raw SUBJECT_SAMPLE_FACTORS AD_20 AD_20 Factor:AD Batch=set6; RAW_FILE_NAME=AD_20.raw SUBJECT_SAMPLE_FACTORS AD_21 AD_21 Factor:AD Batch=set6; RAW_FILE_NAME=AD_21.raw SUBJECT_SAMPLE_FACTORS AD_22 AD_22 Factor:AD Batch=set6; RAW_FILE_NAME=AD_22.raw SUBJECT_SAMPLE_FACTORS AD_23 AD_23 Factor:AD Batch=set7; RAW_FILE_NAME=AD_23.raw SUBJECT_SAMPLE_FACTORS AD_24 AD_24 Factor:AD Batch=set7; RAW_FILE_NAME=AD_24.raw SUBJECT_SAMPLE_FACTORS AD_25 AD_25 Factor:AD Batch=set7; RAW_FILE_NAME=AD_25.raw SUBJECT_SAMPLE_FACTORS AD_26 AD_26 Factor:AD Batch=set7; RAW_FILE_NAME=AD_26.raw SUBJECT_SAMPLE_FACTORS AD_27 AD_27 Factor:AD Batch=set8; RAW_FILE_NAME=AD_27.raw SUBJECT_SAMPLE_FACTORS AD_28 AD_28 Factor:AD Batch=set8; RAW_FILE_NAME=AD_28.raw SUBJECT_SAMPLE_FACTORS AD_29 AD_29 Factor:AD Batch=set9; RAW_FILE_NAME=AD_29.raw SUBJECT_SAMPLE_FACTORS AD_30 AD_30 Factor:AD Batch=set9; RAW_FILE_NAME=AD_30.raw SUBJECT_SAMPLE_FACTORS AD_FA_1 AD_FA_1 Factor:AD_FA Batch=set1; RAW_FILE_NAME=AD_FA_1.raw SUBJECT_SAMPLE_FACTORS AD_FA_2 AD_FA_2 Factor:AD_FA Batch=set1; RAW_FILE_NAME=AD_FA_2.raw SUBJECT_SAMPLE_FACTORS AD_FA_45 AD_FA_45 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_45.raw SUBJECT_SAMPLE_FACTORS AD_FA_46 AD_FA_46 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_46.raw SUBJECT_SAMPLE_FACTORS AD_FA_47 AD_FA_47 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_47.raw SUBJECT_SAMPLE_FACTORS AD_FA_48 AD_FA_48 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_48.raw SUBJECT_SAMPLE_FACTORS AD_FA_49 AD_FA_49 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_49.raw SUBJECT_SAMPLE_FACTORS AD_FA_50 AD_FA_50 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_50.raw SUBJECT_SAMPLE_FACTORS AD_FA_51 AD_FA_51 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_51.raw SUBJECT_SAMPLE_FACTORS AD_FA_52 AD_FA_52 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_52.raw SUBJECT_SAMPLE_FACTORS AD_FA_53 AD_FA_53 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_53.raw SUBJECT_SAMPLE_FACTORS AD_FA_54 AD_FA_54 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_54.raw SUBJECT_SAMPLE_FACTORS AD_FA_55 AD_FA_55 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_55.raw SUBJECT_SAMPLE_FACTORS AD_FA_56 AD_FA_56 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_56.raw SUBJECT_SAMPLE_FACTORS AD_FA_57 AD_FA_57 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_57.raw SUBJECT_SAMPLE_FACTORS AD_FA_58 AD_FA_58 Factor:AD_FA Batch=set10; RAW_FILE_NAME=AD_FA_58.raw SUBJECT_SAMPLE_FACTORS AD_FA_59 AD_FA_59 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_59.raw SUBJECT_SAMPLE_FACTORS AD_FA_60 AD_FA_60 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_60.raw SUBJECT_SAMPLE_FACTORS AD_FA_61 AD_FA_61 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_61.raw SUBJECT_SAMPLE_FACTORS AD_FA_62 AD_FA_62 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_62.raw SUBJECT_SAMPLE_FACTORS AD_FA_63 AD_FA_63 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_63.raw SUBJECT_SAMPLE_FACTORS AD_FA_64 AD_FA_64 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_64.raw SUBJECT_SAMPLE_FACTORS AD_FA_65 AD_FA_65 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_65.raw SUBJECT_SAMPLE_FACTORS AD_FA_66 AD_FA_66 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_66.raw SUBJECT_SAMPLE_FACTORS AD_FA_67 AD_FA_67 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_67.raw SUBJECT_SAMPLE_FACTORS AD_FA_68 AD_FA_68 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_68.raw SUBJECT_SAMPLE_FACTORS AD_FA_69 AD_FA_69 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_69.raw SUBJECT_SAMPLE_FACTORS AD_FA_70 AD_FA_70 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_70.raw SUBJECT_SAMPLE_FACTORS AD_FA_71 AD_FA_71 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_71.raw SUBJECT_SAMPLE_FACTORS AD_FA_72 AD_FA_72 Factor:AD_FA Batch=set11; RAW_FILE_NAME=AD_FA_72.raw SUBJECT_SAMPLE_FACTORS AD_FA_73 AD_FA_73 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_73.raw SUBJECT_SAMPLE_FACTORS AD_FA_74 AD_FA_74 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_74.raw SUBJECT_SAMPLE_FACTORS AD_FA_75 AD_FA_75 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_75.raw SUBJECT_SAMPLE_FACTORS AD_FA_76 AD_FA_76 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_76.raw SUBJECT_SAMPLE_FACTORS AD_FA_77 AD_FA_77 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_77.raw SUBJECT_SAMPLE_FACTORS AD_FA_78 AD_FA_78 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_78.raw SUBJECT_SAMPLE_FACTORS AD_FA_79 AD_FA_79 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_79.raw SUBJECT_SAMPLE_FACTORS AD_FA_80 AD_FA_80 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_80.raw SUBJECT_SAMPLE_FACTORS AD_FA_81 AD_FA_81 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_81.raw SUBJECT_SAMPLE_FACTORS AD_FA_82 AD_FA_82 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_82.raw SUBJECT_SAMPLE_FACTORS AD_FA_83 AD_FA_83 Factor:AD_FA Batch=set12; RAW_FILE_NAME=AD_FA_83.raw SUBJECT_SAMPLE_FACTORS AD_FA_3 AD_FA_3 Factor:AD_FA Batch=set2; RAW_FILE_NAME=AD_FA_3.raw SUBJECT_SAMPLE_FACTORS AD_FA_4 AD_FA_4 Factor:AD_FA Batch=set2; RAW_FILE_NAME=AD_FA_4.raw SUBJECT_SAMPLE_FACTORS AD_FA_5 AD_FA_5 Factor:AD_FA Batch=set3; RAW_FILE_NAME=AD_FA_5.raw SUBJECT_SAMPLE_FACTORS AD_FA_6 AD_FA_6 Factor:AD_FA Batch=set3; RAW_FILE_NAME=AD_FA_6.raw SUBJECT_SAMPLE_FACTORS AD_FA_7 AD_FA_7 Factor:AD_FA Batch=set3; RAW_FILE_NAME=AD_FA_7.raw SUBJECT_SAMPLE_FACTORS AD_FA_8 AD_FA_8 Factor:AD_FA Batch=set4; RAW_FILE_NAME=AD_FA_8.raw SUBJECT_SAMPLE_FACTORS AD_FA_10 AD_FA_10 Factor:AD_FA Batch=set5; RAW_FILE_NAME=AD_FA_10.raw SUBJECT_SAMPLE_FACTORS AD_FA_9 AD_FA_9 Factor:AD_FA Batch=set5; RAW_FILE_NAME=AD_FA_9.raw SUBJECT_SAMPLE_FACTORS AD_FA_11 AD_FA_11 Factor:AD_FA Batch=set6; RAW_FILE_NAME=AD_FA_11.raw SUBJECT_SAMPLE_FACTORS AD_FA_12 AD_FA_12 Factor:AD_FA Batch=set6; RAW_FILE_NAME=AD_FA_12.raw SUBJECT_SAMPLE_FACTORS AD_FA_13 AD_FA_13 Factor:AD_FA Batch=set6; RAW_FILE_NAME=AD_FA_13.raw SUBJECT_SAMPLE_FACTORS AD_FA_14 AD_FA_14 Factor:AD_FA Batch=set6; RAW_FILE_NAME=AD_FA_14.raw SUBJECT_SAMPLE_FACTORS AD_FA_15 AD_FA_15 Factor:AD_FA Batch=set6; RAW_FILE_NAME=AD_FA_15.raw SUBJECT_SAMPLE_FACTORS AD_FA_16 AD_FA_16 Factor:AD_FA Batch=set7; RAW_FILE_NAME=AD_FA_16.raw SUBJECT_SAMPLE_FACTORS AD_FA_17 AD_FA_17 Factor:AD_FA Batch=set7; RAW_FILE_NAME=AD_FA_17.raw SUBJECT_SAMPLE_FACTORS AD_FA_18 AD_FA_18 Factor:AD_FA Batch=set7; RAW_FILE_NAME=AD_FA_18.raw SUBJECT_SAMPLE_FACTORS AD_FA_19 AD_FA_19 Factor:AD_FA Batch=set7; RAW_FILE_NAME=AD_FA_19.raw SUBJECT_SAMPLE_FACTORS AD_FA_20 AD_FA_20 Factor:AD_FA Batch=set7; RAW_FILE_NAME=AD_FA_20.raw SUBJECT_SAMPLE_FACTORS AD_FA_21 AD_FA_21 Factor:AD_FA Batch=set7; RAW_FILE_NAME=AD_FA_21.raw SUBJECT_SAMPLE_FACTORS AD_FA_22 AD_FA_22 Factor:AD_FA Batch=set7; RAW_FILE_NAME=AD_FA_22.raw SUBJECT_SAMPLE_FACTORS AD_FA_23 AD_FA_23 Factor:AD_FA Batch=set7; RAW_FILE_NAME=AD_FA_23.raw SUBJECT_SAMPLE_FACTORS AD_FA_24 AD_FA_24 Factor:AD_FA Batch=set8; RAW_FILE_NAME=AD_FA_24.raw SUBJECT_SAMPLE_FACTORS AD_FA_25 AD_FA_25 Factor:AD_FA Batch=set8; RAW_FILE_NAME=AD_FA_25.raw SUBJECT_SAMPLE_FACTORS AD_FA_26 AD_FA_26 Factor:AD_FA Batch=set8; RAW_FILE_NAME=AD_FA_26.raw SUBJECT_SAMPLE_FACTORS AD_FA_27 AD_FA_27 Factor:AD_FA Batch=set8; RAW_FILE_NAME=AD_FA_27.raw SUBJECT_SAMPLE_FACTORS AD_FA_28 AD_FA_28 Factor:AD_FA Batch=set8; RAW_FILE_NAME=AD_FA_28.raw SUBJECT_SAMPLE_FACTORS AD_FA_29 AD_FA_29 Factor:AD_FA Batch=set8; RAW_FILE_NAME=AD_FA_29.raw SUBJECT_SAMPLE_FACTORS AD_FA_30 AD_FA_30 Factor:AD_FA Batch=set8; RAW_FILE_NAME=AD_FA_30.raw SUBJECT_SAMPLE_FACTORS AD_FA_31 AD_FA_31 Factor:AD_FA Batch=set8; RAW_FILE_NAME=AD_FA_31.raw SUBJECT_SAMPLE_FACTORS AD_FA_32 AD_FA_32 Factor:AD_FA Batch=set8; RAW_FILE_NAME=AD_FA_32.raw SUBJECT_SAMPLE_FACTORS AD_FA_33 AD_FA_33 Factor:AD_FA Batch=set8; RAW_FILE_NAME=AD_FA_33.raw SUBJECT_SAMPLE_FACTORS AD_FA_34 AD_FA_34 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_34.raw SUBJECT_SAMPLE_FACTORS AD_FA_35 AD_FA_35 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_35.raw SUBJECT_SAMPLE_FACTORS AD_FA_36 AD_FA_36 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_36.raw SUBJECT_SAMPLE_FACTORS AD_FA_37 AD_FA_37 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_37.raw SUBJECT_SAMPLE_FACTORS AD_FA_38 AD_FA_38 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_38.raw SUBJECT_SAMPLE_FACTORS AD_FA_39 AD_FA_39 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_39.raw SUBJECT_SAMPLE_FACTORS AD_FA_40 AD_FA_40 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_40.raw SUBJECT_SAMPLE_FACTORS AD_FA_41 AD_FA_41 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_41.raw SUBJECT_SAMPLE_FACTORS AD_FA_42 AD_FA_42 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_42.raw SUBJECT_SAMPLE_FACTORS AD_FA_43 AD_FA_43 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_43.raw SUBJECT_SAMPLE_FACTORS AD_FA_44 AD_FA_44 Factor:AD_FA Batch=set9; RAW_FILE_NAME=AD_FA_44.raw SUBJECT_SAMPLE_FACTORS Con_1 Con_1 Factor:Con Batch=set1; RAW_FILE_NAME=Con_1.raw SUBJECT_SAMPLE_FACTORS Con_2 Con_2 Factor:Con Batch=set1; RAW_FILE_NAME=Con_2.raw SUBJECT_SAMPLE_FACTORS Con_3 Con_3 Factor:Con Batch=set1; RAW_FILE_NAME=Con_3.raw SUBJECT_SAMPLE_FACTORS Con_4 Con_4 Factor:Con Batch=set1; RAW_FILE_NAME=Con_4.raw SUBJECT_SAMPLE_FACTORS Con_5 Con_5 Factor:Con Batch=set1; RAW_FILE_NAME=Con_5.raw SUBJECT_SAMPLE_FACTORS Con_27 Con_27 Factor:Con Batch=set10; RAW_FILE_NAME=Con_27.raw SUBJECT_SAMPLE_FACTORS Con_28 Con_28 Factor:Con Batch=set10; RAW_FILE_NAME=Con_28.raw SUBJECT_SAMPLE_FACTORS Con_29 Con_29 Factor:Con Batch=set10; RAW_FILE_NAME=Con_29.raw SUBJECT_SAMPLE_FACTORS Con_30 Con_30 Factor:Con Batch=set10; RAW_FILE_NAME=Con_30.raw SUBJECT_SAMPLE_FACTORS Con_31 Con_31 Factor:Con Batch=set10; RAW_FILE_NAME=Con_31.raw SUBJECT_SAMPLE_FACTORS Con_32 Con_32 Factor:Con Batch=set10; RAW_FILE_NAME=Con_32.raw SUBJECT_SAMPLE_FACTORS Con_33 Con_33 Factor:Con Batch=set11; RAW_FILE_NAME=Con_33.raw SUBJECT_SAMPLE_FACTORS Con_34 Con_34 Factor:Con Batch=set11; RAW_FILE_NAME=Con_34.raw SUBJECT_SAMPLE_FACTORS Con_35 Con_35 Factor:Con Batch=set11; RAW_FILE_NAME=Con_35.raw SUBJECT_SAMPLE_FACTORS Con_36 Con_36 Factor:Con Batch=set11; RAW_FILE_NAME=Con_36.raw SUBJECT_SAMPLE_FACTORS Con_37 Con_37 Factor:Con Batch=set11; RAW_FILE_NAME=Con_37.raw SUBJECT_SAMPLE_FACTORS Con_38 Con_38 Factor:Con Batch=set11; RAW_FILE_NAME=Con_38.raw SUBJECT_SAMPLE_FACTORS Con_39 Con_39 Factor:Con Batch=set12; RAW_FILE_NAME=Con_39.raw SUBJECT_SAMPLE_FACTORS Con_40 Con_40 Factor:Con Batch=set12; RAW_FILE_NAME=Con_40.raw SUBJECT_SAMPLE_FACTORS Con_41 Con_41 Factor:Con Batch=set12; RAW_FILE_NAME=Con_41.raw SUBJECT_SAMPLE_FACTORS Con_42 Con_42 Factor:Con Batch=set12; RAW_FILE_NAME=Con_42.raw SUBJECT_SAMPLE_FACTORS Con_43 Con_43 Factor:Con Batch=set12; RAW_FILE_NAME=Con_43.raw SUBJECT_SAMPLE_FACTORS Con_44 Con_44 Factor:Con Batch=set12; RAW_FILE_NAME=Con_44.raw SUBJECT_SAMPLE_FACTORS Con_45 Con_45 Factor:Con Batch=set12; RAW_FILE_NAME=Con_45.raw SUBJECT_SAMPLE_FACTORS Con_46 Con_46 Factor:Con Batch=set12; RAW_FILE_NAME=Con_46.raw SUBJECT_SAMPLE_FACTORS Con_6 Con_6 Factor:Con Batch=set2; RAW_FILE_NAME=Con_6.raw SUBJECT_SAMPLE_FACTORS Con_7 Con_7 Factor:Con Batch=set2; RAW_FILE_NAME=Con_7.raw SUBJECT_SAMPLE_FACTORS Con_10 Con_10 Factor:Con Batch=set3; RAW_FILE_NAME=Con_10.raw SUBJECT_SAMPLE_FACTORS Con_11 Con_11 Factor:Con Batch=set3; RAW_FILE_NAME=Con_11.raw SUBJECT_SAMPLE_FACTORS Con_8 Con_8 Factor:Con Batch=set3; RAW_FILE_NAME=Con_8.raw SUBJECT_SAMPLE_FACTORS Con_9 Con_9 Factor:Con Batch=set3; RAW_FILE_NAME=Con_9.raw SUBJECT_SAMPLE_FACTORS Con_12 Con_12 Factor:Con Batch=set4; RAW_FILE_NAME=Con_12.raw SUBJECT_SAMPLE_FACTORS Con_13 Con_13 Factor:Con Batch=set4; RAW_FILE_NAME=Con_13.raw SUBJECT_SAMPLE_FACTORS Con_14 Con_14 Factor:Con Batch=set4; RAW_FILE_NAME=Con_14.raw SUBJECT_SAMPLE_FACTORS Con_15 Con_15 Factor:Con Batch=set5; RAW_FILE_NAME=Con_15.raw SUBJECT_SAMPLE_FACTORS Con_16 Con_16 Factor:Con Batch=set5; RAW_FILE_NAME=Con_16.raw SUBJECT_SAMPLE_FACTORS Con_17 Con_17 Factor:Con Batch=set5; RAW_FILE_NAME=Con_17.raw SUBJECT_SAMPLE_FACTORS Con_19 Con_19 Factor:Con Batch=set6; RAW_FILE_NAME=Con_19.raw SUBJECT_SAMPLE_FACTORS Con_20 Con_20 Factor:Con Batch=set6; RAW_FILE_NAME=Con_20.raw SUBJECT_SAMPLE_FACTORS Con_21 Con_21 Factor:Con Batch=set6; RAW_FILE_NAME=Con_21.raw SUBJECT_SAMPLE_FACTORS Con_18 Con_18 Factor:Con Batch=set7; RAW_FILE_NAME=Con_18.raw SUBJECT_SAMPLE_FACTORS Con_22 Con_22 Factor:Con Batch=set8; RAW_FILE_NAME=Con_22.raw SUBJECT_SAMPLE_FACTORS Con_23 Con_23 Factor:Con Batch=set8; RAW_FILE_NAME=Con_23.raw SUBJECT_SAMPLE_FACTORS Con_24 Con_24 Factor:Con Batch=set8; RAW_FILE_NAME=Con_24.raw SUBJECT_SAMPLE_FACTORS Con_25 Con_25 Factor:Con Batch=set9; RAW_FILE_NAME=Con_25.raw SUBJECT_SAMPLE_FACTORS Con_26 Con_26 Factor:Con Batch=set9; RAW_FILE_NAME=Con_26.raw #COLLECTION CO:COLLECTION_SUMMARY The study population consisted of 158 six-month-old infants (46 healthy infants, CO:COLLECTION_SUMMARY 30 only AD group, and 82 with combined AD and FA) involved in the Cohort for CO:COLLECTION_SUMMARY Childhood Origin of Asthma and Allergic Diseases (COCOA) (reference: BMC Pulm CO:COLLECTION_SUMMARY Med 2014, 14:109.) CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY no treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY ~10 mg of the freeze-dried feces was homogenized well with an internal standard SP:SAMPLEPREP_SUMMARY solution (200 μl of 1 μM C17 S1P solution). Then, 300 μl of chloroform, 200 SP:SAMPLEPREP_SUMMARY μl of methanol, 50 μl of H2O, and 10 μl of 10N NaOH were added to each SP:SAMPLEPREP_SUMMARY solution, and vortex well. The aqueous layer was collected after centrifugation, SP:SAMPLEPREP_SUMMARY where S1P was separated from other lipids under alkaline condition. 50 uL of H2O SP:SAMPLEPREP_SUMMARY was added to the remaining solution and the aqueous layer was collected again SP:SAMPLEPREP_SUMMARY after centrifugation. Then, S1P was re-extracted into the chloroform phase under SP:SAMPLEPREP_SUMMARY acidic conditions using 400 μl of chloroform and 20 μl of 10M HCl. This step SP:SAMPLEPREP_SUMMARY was repeated three times. The chloroform was evaporated, and the dried samples SP:SAMPLEPREP_SUMMARY were reconstituted with methanol prior to LC-MS/MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Ultimate 3000-gradient CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Phenomenex Jupiter C4 (50 × 1.0 mm, 5um) CH:SOLVENT_A 0.1% formic acid in H2O CH:SOLVENT_B 0.1% formic acid in MeOH CH:FLOW_GRADIENT 10% B for 0 min, 10–90% B for 5 min, 90% B for 10 min, 90–10% B for 0.1 min, CH:FLOW_GRADIENT and 10% B for 4.9 min CH:FLOW_RATE 300 μL/min CH:COLUMN_TEMPERATURE 35 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo LTQ XL MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Selected ion monitoring (SRM) was uesd in the negative ion mode and the MS:MS_COMMENTS extracted ion chromatogram corresponding to the specific transition (phosphate MS:MS_COMMENTS ion, PO3-, m/z 78.9585) for S1P was used for quantification. Calibration range MS:MS_COMMENTS was 0.01 – 10 μM with R2 > 0.99. Data analysis was performed by using MS:MS_COMMENTS Xcalibur 2.2 software. Ultimate3000 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/mg MS_METABOLITE_DATA_START Samples AD_1 AD_2 AD_3 AD_4 AD_5 AD_6 AD_7 AD_8 AD_9 AD_10 AD_11 AD_12 AD_13 AD_14 AD_15 AD_16 AD_17 AD_18 AD_19 AD_20 AD_21 AD_22 AD_23 AD_24 AD_25 AD_26 AD_27 AD_28 AD_29 AD_30 AD_FA_1 AD_FA_2 AD_FA_3 AD_FA_4 AD_FA_5 AD_FA_6 AD_FA_7 AD_FA_8 AD_FA_9 AD_FA_10 AD_FA_11 AD_FA_12 AD_FA_13 AD_FA_14 AD_FA_15 AD_FA_16 AD_FA_17 AD_FA_18 AD_FA_19 AD_FA_20 AD_FA_21 AD_FA_22 AD_FA_23 AD_FA_24 AD_FA_25 AD_FA_26 AD_FA_27 AD_FA_28 AD_FA_29 AD_FA_30 AD_FA_31 AD_FA_32 AD_FA_33 AD_FA_34 AD_FA_35 AD_FA_36 AD_FA_37 AD_FA_38 AD_FA_39 AD_FA_40 AD_FA_41 AD_FA_42 AD_FA_43 AD_FA_44 AD_FA_45 AD_FA_46 AD_FA_47 AD_FA_48 AD_FA_49 AD_FA_50 AD_FA_51 AD_FA_52 AD_FA_53 AD_FA_54 AD_FA_55 AD_FA_56 AD_FA_57 AD_FA_58 AD_FA_59 AD_FA_60 AD_FA_61 AD_FA_62 AD_FA_63 AD_FA_64 AD_FA_65 AD_FA_66 AD_FA_67 AD_FA_68 AD_FA_69 AD_FA_70 AD_FA_71 AD_FA_72 AD_FA_73 AD_FA_74 AD_FA_75 AD_FA_76 AD_FA_77 AD_FA_78 AD_FA_79 AD_FA_80 AD_FA_81 AD_FA_82 AD_FA_83 Con_1 Con_2 Con_3 Con_4 Con_5 Con_6 Con_7 Con_8 Con_9 Con_10 Con_11 Con_12 Con_13 Con_14 Con_15 Con_16 Con_17 Con_18 Con_19 Con_20 Con_21 Con_22 Con_23 Con_24 Con_25 Con_26 Con_27 Con_28 Con_29 Con_30 Con_31 Con_32 Con_33 Con_34 Con_35 Con_36 Con_37 Con_38 Con_39 Con_40 Con_41 Con_42 Con_43 Con_44 Con_45 Con_46 Factors Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:AD_FA Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con Factor:Con S1P 27.03654121 0.914669266 6.349756635 1.719773606 8.508877915 2.460935483 4.68868192 6.895970809 3.74466084 4.207189885 4.025300378 14.38682931 2.955625425 14.12929152 3.869300925 1.121561464 2.803243977 0.73331318 5.81567861 NA 0.474128669 1.27036453 5.883549278 3.509414042 3.039813699 0.85237218 10.58273695 1.028591208 9.149155499 11.30687421 1.229251737 NA 1.065327036 1.250262313 10.53445877 1.122763117 0.357095442 8.04381454 1.140212093 0.478126551 12.59662062 NA NA 2.922288659 8.702325634 NA 2.799596266 3.011587826 0.700397421 0.431363629 1.677473991 0.292539631 0.40768281 1.32755625 5.245833369 0.283390021 0.296534428 5.20617393 2.549948 3.849506109 12.32586877 0.610404135 1.143958213 1.272362188 NA 14.33676827 3.334254598 0.483938292 7.019632272 0.381228578 4.063244797 3.713152494 1.966166237 1.393723532 5.664915425 0.344399424 2.005544578 11.57492157 21.34183115 1.121612211 1.343679484 0.850493508 12.93766864 0.451498771 154.4405438 0.707687178 NA 1.692537328 0.807128361 22.48483532 2.027267437 7.341987766 18.47499743 8.392416884 32.71114988 NA 16.90757052 2.336590339 1.062202947 NA 0.372081838 0.23040996 16.82017722 0.446266704 13.4006424 1.462104211 8.6318151 3.678795114 1.026288135 1.129069176 1.943906091 1.65570931 0.442120601 13.83724517 1.36713671 8.391502414 13.7944118 11.99066926 0.665039026 0.88901774 19.21658334 8.413029488 6.522014129 0.260993235 0.488407933 5.003470126 0.442922336 4.305854746 6.649913821 10.33269232 5.504042351 NA 0.054112554 0.513143958 5.532017428 17.9904451 0.688676278 10.278602 1.638398238 14.94502491 28.39521758 NA 55.42281223 11.01257164 5.324628811 10.1469999 5.995720487 5.631944572 2.828071168 5.365837868 1.805682928 4.571172516 104.3063459 NA 78.473633 1.664095698 40.46983667 16.05157799 49.91844224 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name annotation KEGG_ID S1P sphingosine-1-phosphate C06124 METABOLITES_END #END