#METABOLOMICS WORKBENCH EllenDePaepe_20230706_022531 DATATRACK_ID:4145 STUDY_ID:ST002946 ANALYSIS_ID:AN004831 PROJECT_ID:PR001831 VERSION 1 CREATED_ON August 8, 2023, 7:03 am #PROJECT PR:PROJECT_TITLE Integrated gut metabolome and microbiome fingerprinting reveals that dysbiosis PR:PROJECT_TITLE precedes allergic inflammation in IgE-mediated pediatric cow’s milk allergy PR:PROJECT_TYPE (un)targeted MS PR:PROJECT_SUMMARY Background: IgE-mediated cow’s milk allergy (IgE-CMA) is one of the first PR:PROJECT_SUMMARY allergies to arise in early childhood and may result from exposure to various PR:PROJECT_SUMMARY milk allergens, of which β-lactoglobulin (BLG) and casein are the most PR:PROJECT_SUMMARY important. Understanding the underlying mechanisms behind IgE-CMA is imperative PR:PROJECT_SUMMARY for the discovery of novel biomarkers and the design of innovative treatment and PR:PROJECT_SUMMARY prevention strategies. Methods: We report a longitudinal in vivo murine model, PR:PROJECT_SUMMARY in which 2 mice strains (BALB/c and C57Bl/6) were sensitized to BLG using either PR:PROJECT_SUMMARY cholera toxin or an oil emulsion (n=6 per group). After sensitization, mice were PR:PROJECT_SUMMARY challenged orally, their clinical signs monitored, antibody (IgE and IgG1) and PR:PROJECT_SUMMARY cytokine levels (IL-4 and IFN-γ) measured, and fecal samples subjected to PR:PROJECT_SUMMARY metabolomics. The results of the murine models were further supported by fecal PR:PROJECT_SUMMARY microbiome-metabolome data from our population of IgE-CMA (n=24) and healthy PR:PROJECT_SUMMARY (n=23) children (Trial: NCT04249973), on which polar metabolomics, lipidomics PR:PROJECT_SUMMARY and 16S rRNA metasequencing were performed. In vitro gastrointestinal digestions PR:PROJECT_SUMMARY and multi-omics corroborated the microbial origin of proposed metabolic changes. PR:PROJECT_SUMMARY Results: During sensitization, we observed multiple microbially derived PR:PROJECT_SUMMARY metabolic alterations, most importantly bile acid, energy and tryptophan PR:PROJECT_SUMMARY metabolites, that preceded allergic inflammation. The latter was reflected in a PR:PROJECT_SUMMARY disturbed sphingolipid metabolism. We confirmed microbial dysbiosis, and its PR:PROJECT_SUMMARY causal effect on metabolic alterations in our patient cohort, which was PR:PROJECT_SUMMARY accompanied by metabolic signatures of low-grade inflammation. Conclusion: Our PR:PROJECT_SUMMARY results indicate that gut dysbiosis precedes allergic inflammation and nurtures PR:PROJECT_SUMMARY a chronic low-grade inflammation in children on elimination diets, opening PR:PROJECT_SUMMARY important new opportunities for future prevention and treatment strategies. PR:INSTITUTE Ghent University PR:DEPARTMENT Translational Physiology, Infectiology and Public Health PR:LABORATORY Laboratory for Integrative Metabolomics PR:LAST_NAME De Paepe PR:FIRST_NAME Ellen PR:ADDRESS Salisburylaan 133, Merelbeke, Oost-Vlaanderen, 9820, Belgium PR:EMAIL Ellen.DePaepe@UGent.be PR:PHONE 0032479081098 PR:FUNDING_SOURCE Fonds Wetenschappelijk Onderzoek #STUDY ST:STUDY_TITLE Fecal lipidomics of a patient cohort ST:STUDY_SUMMARY This study is part of a multi-part study, including a. longitudinal polar fecal ST:STUDY_SUMMARY metabolomics of mice undergoing sensitization to beta-lactoglobulin b. polar ST:STUDY_SUMMARY fecal metabolomics of a patient cohort c. fecal lipidomics of a patient cohort ST:STUDY_SUMMARY d. polar urinary metabolomics of a patient cohort e. polar metabolomics of in ST:STUDY_SUMMARY vitro digestions This specific part is part c. Fecal lipidomics of a patient ST:STUDY_SUMMARY cohort ST:INSTITUTE Ghent University ST:DEPARTMENT Department of Translational Physiology, Infectiology and Public Health ST:LABORATORY Laboratory for Integrative Metabolomics ST:LAST_NAME De Paepe ST:FIRST_NAME Ellen ST:ADDRESS Salisburylaan 133, 9820 Merelbeke, Belgium ST:EMAIL Ellen.DePaepe@UGent.be ST:STUDY_TYPE (un)targeted MS ST:PHONE 0032479081098 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE < 5 years old SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 1 IgE CMA:0 | IgE other:1 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se108; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 2 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:1 RAW_FILE_NAME=210525se067; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 3 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se072; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 4 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se021; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 5 IgE CMA:0 | IgE other:1 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se026; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 6 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se080; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 7 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se101; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 8 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se013; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 9 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se070; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 10 IgE CMA:0 | IgE other:1 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se020; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 12 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:1 RAW_FILE_NAME=210525se014; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 14 IgE CMA:0 | IgE other:1 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se056; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 16 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:1 RAW_FILE_NAME=210525se097; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 18 IgE CMA:1 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se084; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 20 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se019; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 21 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:1 RAW_FILE_NAME=210525se031; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 22 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se051; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 24 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se099; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 25 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se040; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 26 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se085; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 27 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se107; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 28 IgE CMA:1 | IgE other:1 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se088; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 29 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se083; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 30 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se028; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 31 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se066; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 32 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se060; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 34 IgE CMA:0 | IgE other:1 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se071; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 35 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se058; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 36 IgE CMA:1 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se054; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 37 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se082; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 38 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se043; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 39 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se096; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 40 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se038; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 41 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se059; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 42 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se055; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 43 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se033; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 44 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:1 RAW_FILE_NAME=210525se030; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 45 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se069; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 49 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se105; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 50 IgE CMA:1 | IgE other:1 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se041; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 51 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se092; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 52 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:1 RAW_FILE_NAME=210525se061; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 53 IgE CMA:1 | IgE other:1 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se025; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 54 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se017; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 56 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se111; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 57 IgE CMA:1 | IgE other:1 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se029; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 58 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se044; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 59 IgE CMA:1 | IgE other:1 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se027; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 60 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se079; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 64 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se087; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 65 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se045; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 68 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se115; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 70 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se109; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 72 IgE CMA:1 | IgE other:1 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se098; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 73 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se110; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 78 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se042; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 79 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se073; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 80 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se075; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 81 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se086; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 82 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se032; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 84 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se053; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 85 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se016; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 86 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:1 RAW_FILE_NAME=210525se112; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 91 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se100; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 92 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se057; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 95 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se015; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 96 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se068; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 97 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:1 RAW_FILE_NAME=210525se114; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 99 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se095; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 104 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se039; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 108 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se106; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 109 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se074; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 112 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se034; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 113 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se052; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 115 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:1 RAW_FILE_NAME=210525se093; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 116 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se012; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 123 IgE CMA:0 | IgE other:0 | non-IgE CMA:1 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se018; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 127 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se094; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 128 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se065; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 130 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:1 | Anaphylaxis:0 RAW_FILE_NAME=210525se113; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - 136 IgE CMA:1 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se081; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC1 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se022; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC10 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se077; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC11 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se089; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC12 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se090; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC13 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se102; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC14 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se103; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC15 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se116; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC16 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se117; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC2 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se023; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC3 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se035; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC4 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se036; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC5 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se046; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC6 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se047; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC7 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se062; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC8 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se063; Analysis type=Lipidomics feces; =- SUBJECT_SAMPLE_FACTORS - iQC9 IgE CMA:0 | IgE other:0 | non-IgE CMA:0 | Healthy:0 | Anaphylaxis:0 RAW_FILE_NAME=210525se076; Analysis type=Lipidomics feces; =- #COLLECTION CO:COLLECTION_SUMMARY Fecal samples were collected through spontaneous defecation in the diaper or CO:COLLECTION_SUMMARY using a Fecotainer® (AT Medical B.V., Enschede, The Netherlands). Samples were CO:COLLECTION_SUMMARY stored at -20 °C until pick-up (< 1 week). Following cooled transport (dry ice CO:COLLECTION_SUMMARY or icepacks), fecal samples were briefly stored at -80 °C, lyophilized, and CO:COLLECTION_SUMMARY homogenized in preparation for more long-term storage at -80 °C. CO:SAMPLE_TYPE Feces CO:COLLECTION_METHOD Spontaneous defecation CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No treatment was applied, patients were divided into 4 different control groups: TR:TREATMENT_SUMMARY - IgE-mediated cow's milk allergy - other functional gastrointestinal disorder - TR:TREATMENT_SUMMARY IgE-mediated other food allergy - healthy brothers and sisters #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The final protocol for generic extraction of lipids started with the addition of SP:SAMPLEPREP_SUMMARY 1200 μL of methanol containing 0.01% BHT (w/v) to 200 ± 0.50 mg of lyophilized SP:SAMPLEPREP_SUMMARY and homogenized fecal material. After this mixture was vortexed for 30 s, a SP:SAMPLEPREP_SUMMARY total volume of 5.4 mL of methyl tertbutyl ether with 0.01% BHT (w/v) was added, SP:SAMPLEPREP_SUMMARY after which a new vortex step of 30 s was applied. Subsequently, the sample was SP:SAMPLEPREP_SUMMARY shaken for 20 min at 200 rpm at 20 °C in an incubator (New Brunswick Innova 42, SP:SAMPLEPREP_SUMMARY Eppendorf). Thereafter, 3 mL of ultrapure water with 2.5% trichloroacetic acid SP:SAMPLEPREP_SUMMARY (w/v) was added to induce phase separation, which was enforced by centrifugation SP:SAMPLEPREP_SUMMARY for 5 min at 3000 rpm at 20 °C. Next, 1 mL of the upper layer, consisting of SP:SAMPLEPREP_SUMMARY methyl tert-butyl ether, was collected and evaporated to dryness at 30 °C under SP:SAMPLEPREP_SUMMARY a gentle stream of nitrogen. The residue was sequentially suspended in 250 μL SP:SAMPLEPREP_SUMMARY of chloroform and 650 μL of methanol, after which a 50-μL subfraction was SP:SAMPLEPREP_SUMMARY transferred to an amber glass vial and diluted 1/2 by the addition of 50 μL of SP:SAMPLEPREP_SUMMARY methanol internal standard mixture (internal standard concentrations between 2 SP:SAMPLEPREP_SUMMARY and 100 ng·μL−1). An aliquot (5 μL) of sample was injected into the SP:SAMPLEPREP_SUMMARY chromatographic system. SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:SAMPLE_SPIKING Internal standard #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (150 x 2.1mm,1.7um) CH:SOLVENT_A 100% water; 3.5 mM ammonium acetate CH:SOLVENT_B 100% methanol; 3.5 mM ammonium acetate CH:FLOW_GRADIENT The following proportions (v/v) of solvent B were used: 0−1 min at 75%, 1−2 CH:FLOW_GRADIENT min from 75% to 90%, 2−6 min from 90% to 98%, 6−15 min from 98% to 100%, and CH:FLOW_GRADIENT 15−17 min at 100%, followed by 3 min of equilibration at initial conditions. CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 40 CH:INTERNAL_STANDARD L-alanine-d3, D-valine-d8 CH:SAMPLE_INJECTION 10 uL #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS MS acquisition: Xcalibur Targeted data processing: Xcalibur Untargeted data MS:MS_COMMENTS acquisition: Compound Discoverer, R studio MS:MS_RESULTS_FILE ST002946_AN004831_Results.txt UNITS:a.u. Has m/z:Neutral masses Has RT:Yes RT units:Minutes #END