Summary of Study ST002405

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001512. The data can be accessed directly via it's Project DOI: 10.21228/M8812G This work is supported by NIH grant, U2C- DK119886.

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This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST002405
Study TitleStool global metabolite levels in peanut allergy (Part 2)
Study SummaryPrior evidence supports differential levels of short chain fatty acids and other metabolites in the stool of humans and murine models of food allergy. Here we measure global metabolite levels in stool samples collected from children with allergy risk factors. Sample processing included polar metabolite extraction, scaling, and analysis with a global polar liquid chromatography tandem mass spectrometry platform.
Institute
Icahn School of Medicine at Mount Sinai
Last NameBunyavanich
First NameSupinda
Address1 Gustave L. Levy Pl, New York, NY 10029
Emailsupinda.bunyavanich@mssm.edu
Phone212-241-5548
Submit Date2022-11-08
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2023-12-08
Release Version1
Supinda Bunyavanich Supinda Bunyavanich
https://dx.doi.org/10.21228/M8812G
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR001512
Project DOI:doi: 10.21228/M8812G
Project Title:Stool metabolites in peanut allergy
Project Summary:Rising rates of peanut allergy motivate investigations of its development to inform prevention and therapy. Microbiota and the metabolites they produce shape food allergy risk. We performed a longitudinal, multi-center, integrative study of the gut microbiome and metabolome of 122 infants with allergy risk factors but no peanut allergy who were followed through mid childhood. 28.7% of infants developed peanut allergy by mid-childhood. Lower infant gut microbiome diversity was associated with peanut allergy development (P=0.014). Peanut allergy-bound children had different abundance trajectories of Clostridium sensu stricto 1 sp. (FDR=0.015) and Bifidobacterium sp. (FDR=0.033), with butyrate (FDR=0.045) and isovalerate (FDR=0.036) decreasing over time. Metabolites associated with peanut allergy development clustered within the histidine metabolism pathway. Positive correlations between microbiota, butyrate, and isovalerate and negative correlations with histamine marked the peanut allergy free network. The temporal dynamics of the gut microbiome and metabolome in early childhood are distinct for children who develop peanut allergy.
Institute:Icahn School of Medicine at Mount Sinai
Last Name:Bunyavanich
First Name:Supinda
Address:1 Gustave L. Levy Pl, New York, NY 10029
Email:supinda.bunyavanich@mssm.edu
Phone:212-241-5548

Subject:

Subject ID:SU002494
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Allergic infant
SA240749120091001Allergic 8 yrs
SA240750120091006Allergic 8 yrs
SA240751120091041Allergic 8 yrs
SA240752120091155Allergic 8 yrs
SA240753120091071Allergic 8 yrs
SA240754120091131Allergic 8 yrs
SA240755120091092Allergic 8 yrs
SA240756120091109Allergic 8 yrs
SA240757120091143Allergic 8 yrs
SA240758120091054Allergic 8 yrs
SA240759100003547Allergic infant
SA240760100002047Allergic infant
SA240761100002012Allergic infant
SA240762100003021Allergic infant
SA240763100005461Allergic infant
SA240764100009036Allergic infant
SA240765100005047Allergic infant
SA240766100004396Allergic infant
SA240767100007014Allergic infant
SA240768100004248Allergic infant
SA240769120091055Tolerant 8 yrs
SA240770120091160Tolerant 8 yrs
SA240771120091142Tolerant 8 yrs
SA240772120091008Tolerant 8 yrs
SA240773120091013Tolerant 8 yrs
SA240774120091007Tolerant 8 yrs
SA240775120091075Tolerant 8 yrs
SA240776120091174Tolerant 8 yrs
SA240777120091162Tolerant 8 yrs
SA240778120091139Tolerant 8 yrs
SA240779100007018Tolerant infant
SA240780100003363Tolerant infant
SA240781100009124Tolerant infant
SA240782100005062Tolerant infant
SA240783100003333Tolerant infant
SA240784100005373Tolerant infant
SA240785100007001Tolerant infant
SA240786100004203Tolerant infant
SA240787100007035Tolerant infant
SA240788100005070Tolerant infant
Showing results 1 to 40 of 40

Collection:

Collection ID:CO002487
Collection Summary:Participants of this study included 122 children from the multi-center NIAID Consortium for Food Allergy Research (CoFAR) Observational Study (CoFAR2) who provided stool samples at both infancy and mid-childhood.16 The recruitment and clinical characteristics of these CoFAR2 subjects have been previously described. 16 Briefly, 511 children were recruited at age 3 to 15 months from five US sites (New York, NY, Baltimore, MD, Little Rock, AR, Denver, CO, Durham, NC).16 The cohort was designed as a longitudinal study of infants at high risk for developing peanut allergy, and inclusion criteria included likely egg allergy, milk allergy, and/or moderate to severe atopic dermatitis with a positive egg and/or milk skin prick test at enrollment, but no known peanut allergy. 16 Clinical phenotyping of the subjects, including assessments of peanut allergy, egg allergy, milk allergy, and atopic dermatitis, were performed at 6-12 month intervals between enrollment at infancy and mid-childhood (mean age 9 years, SD 0.6 years). All subjects provided stool samples at baseline and were invited to submit a follow up sample at mid-childhood. Stool samples were collected from 492 of the children at baseline and from 122 of the children at mid-childhood. Samples were immediately stored at -80 o C upon receipt.
Sample Type:Feces

Treatment:

Treatment ID:TR002506
Treatment Summary:Children were categorized as PA if they developed peanut allergy by mid-childhood and not peanut allergic (NPA) if they did not develop peanut allergy by mid-childhood. For this study, peanut allergy was defined based on: (1) confirmed IgE-mediated reaction (e.g. positive doctor supervised oral food challenge to peanut and sensitization to peanut), or (2) convincing IgEmediated reaction (e.g. convincing reaction and sensitization to peanut) at any visit.16 This was “alternate definition 1” of the parent CoFAR2 study16 . We used this definition rather than the main definition to avoid inclusion of less convincing peanut allergy in case ascertainment, as the main definition16 also included those with peanut sensitization but no history of reaction.

Sample Preparation:

Sampleprep ID:SP002500
Sampleprep Summary:Global metabolome profiling was performed for 40 samples (both infant and mid-childhood samples from 10 NPA and 10 PA children randomly selected). Fecal samples were processed with a polar metabolite extraction, scaling the extraction to a ratio of 10mg/mL sample/extraction solvent. The resulting polar metabolite extracts for each sample were analyzed with the global Chun et al. p.23 polar LCMS platform. To identify putative molecules in the samples, the available MS/MS spectra from the data-dependent acquisition were searched against a data analysis pipeline including both the NIST17MS/MS and METLIN spectral libraries. Across all samples 64,482 tandem MS (MS/MS) spectra were matched against the spectral libraries, and then refined into a list of 2,436 putatively identified compounds (RevDot >900, Unique InChiKey). These hits were then quantified in a relative fashion based on the theoretical m/z of the identified compound as the putative ion type e.g., [M+H]+, at the consensus retention time. The list of putative compounds was further reduced to 2,189 by excluding any hits that resulted in the same metabolite name after identifier conversion (e.g., Glutamic acid, L-Glutamate), retaining the higher intensity row as applicable, and the resulting data were subjected to a 3X signal-to-noise threshold. Overall 1,825 compounds were detected in at least 2 samples with 1,008 being detected in at least 20 samples, and 177 metabolites being detected in all 40 samples. Global metabolites with mean intensity less than 1,000 were further excluded, yielding 1,967 metabolites for analysis.

Combined analysis:

Analysis ID AN003919
Analysis type MS
Chromatography type HILIC
Chromatography system Thermo Dionex Ultimate 3000 RS
Column SeQuant ZIC-pHILIC (150 x 2.1 mm,5um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive HF hybrid Orbitrap
Ion Mode UNSPECIFIED
Units Absolute Intensity

Chromatography:

Chromatography ID:CH002900
Instrument Name:Thermo Dionex Ultimate 3000 RS
Column Name:SeQuant ZIC-pHILIC (150 x 2.1 mm,5um)
Chromatography Type:HILIC

MS:

MS ID:MS003657
Analysis ID:AN003919
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:To identify putative molecules in the samples, the available MS/MS spectra from the data-dependent acquisition were searched against a data analysis pipeline including both the NIST17MS/MS and METLIN spectral libraries. Across all samples 64,482 tandem MS (MS/MS) spectra were matched against the spectral libraries, and then refined into a list of 2,436 putatively identified compounds (RevDot >900, Unique InChiKey).
Ion Mode:UNSPECIFIED
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