Summary of Study ST001431

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 PR000983. The data can be accessed directly via it's Project DOI: 10.21228/M8N104 This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

Study ID	ST001431
Study Title	A Compromised Developmental Trajectory of the Infant Gut Microbiome and Metabolome in Atopic Eczema -(targeted SCFAs profiling)
Study Summary	Evidence is accumulating that the establishment of the gut microbiome in early life influences the development of atopic eczema. In this longitudinal study, we used integrated multi-omics analyses to infer functional mechanisms by which the microbiome modulates atopic eczema risk.
Institute	National University of Singapore
Last Name	Ta
First Name	Le Duc Huy
Address	MD1 - Tahir Foundation Building (MD1), Level 15, Department of Paediatrics, Allergy & Immunology Division, National University of Singapore (NUS), 12 Science Drive 2. Singapore 117549
Email	huy.taleduc13@sps.nus.edu.sg
Phone	6596123681
Submit Date	2020-05-28
Num Groups	3
Total Subjects	63
Raw Data Available	Yes
Raw Data File Type(s)	wiff
Analysis Type Detail	LC-MS
Release Date	2020-07-24
Release Version	1

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Sample Preparation:

Sampleprep ID:	SP001513
Sampleprep Summary:	500 L of ice-cold extraction solvent (1:1 v/v ACN/water) containing 10 M of d5-benzoic acid as internal standard (IS) was added to 250 mg of wet stool sample and subjected to vortex mixing for 5 min at ambient temperature (24 ± 1 ◦C). The ratio of extraction solvent to wet sample weight was kept constant (2 L:1 mg) to prevent variable extraction efficiencies. The suspension was then centrifuged at 18 000g for 10 min at 4 ◦C. The supernatant was carefully removed and centrifuged again at 18 000g for 10 min at 4 ◦C. An aliquot of 100 L was subsequently derivatized using a final concentration of 10 mM aniline and 5 mM EDC for 2 h at 4 ◦C. The derivatization reaction was quenched using a final concentration of 18 mM succinic acid and 4.6 mM 2-mercaptoethanol for 2 h at 4 ◦C. An aliquot of each sample was further diluted 100-fold. All samples were stored at 4 ◦C until analysis on the same day

Sampleprep ID:

SP001513

Sampleprep Summary:

500 L of ice-cold extraction solvent (1:1 v/v ACN/water) containing 10 M of d5-benzoic acid as internal standard (IS) was added to 250 mg of wet stool sample and subjected to vortex mixing for 5 min at ambient temperature (24 ± 1 ◦C). The ratio of extraction solvent to wet sample weight was kept constant (2 L:1 mg) to prevent variable extraction efficiencies. The suspension was then centrifuged at 18 000g for 10 min at 4 ◦C. The supernatant was carefully removed and centrifuged again at 18 000g for 10 min at 4 ◦C. An aliquot of 100 L was subsequently derivatized using a final concentration of 10 mM aniline and 5 mM EDC for 2 h at 4 ◦C. The derivatization reaction was quenched using a final concentration of 18 mM succinic acid and 4.6 mM 2-mercaptoethanol for 2 h at 4 ◦C. An aliquot of each sample was further diluted 100-fold. All samples were stored at 4 ◦C until analysis on the same day