Summary of Study ST002722

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 PR001688. The data can be accessed directly via it's Project DOI: 10.21228/M8HH7C This work is supported by NIH grant, U2C- DK119886.

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

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 ID	ST002722
Study Title	Cirrhosis-related metabolomics study
Study Summary	There are limited data on the diagnostic accuracy of gut microbial signatures for predicting hepatic decompensation in patients with cirrhosis. The aim of this study is to determine whether a stool genomic and metabolic signature accurately detects hepatic decompensation and mortality risk in cirrhosis secondary to nonalcoholic fatty liver disease (NAFLD). Shotgun metagenomic sequencing was performed on fecal samples collected from a prospective cohort of adults with NAFLD-related cirrhosis. The signatures were further validated with a metabolomic study on serum samples. Finally, we developed a Random Forest machine learning algorithm to make predictions on hepatic decompensation and mortality in NAFLD-related cirrhosis. Here we uploaded the metabolomics study data from LC-MS/MS.
Institute	University of British Columbia
Last Name	Zhao
First Name	Tingting
Address	2036 Main Mall, V6T 1Z1
Email	tingzhao@chem.ubc.ca
Phone	6048221253
Submit Date	2023-05-30
Raw Data Available	Yes
Raw Data File Type(s)	mzXML
Analysis Type Detail	LC-MS
Release Date	2023-06-12
Release Version	1

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Sample Preparation:

Sampleprep ID:	SP002834
Sampleprep Summary:	Dual extraction procedures of serum metabolome were as follows: A 50 μl serum sample was mixed with 300 μl ice-cold methanol in a 1.5 ml Eppendorf vial and vortex for 2 min. The solution was kept at −20°C for 4 h to precipitate proteins. After that, 1000 μl methyl tert-butyl ether was added to extract lipids. After 5 min shake, 350 μl H2O was added to induce the phase separation. The solution was vortex for 10 s and rested at room temperature for 10 min, followed by centrifugation at 14,000 rpm at 4°C for 15 min, for complete phase separation. The clear lower layer was separated into a new vial and dried in SpeedVac at 20°C for 4 h. The dried extract was then reconstituted in 150 μl acetonitrile and water (1:1, v:v) mixed solvent for LC–MS metabolomics analysis. The method blank was also prepared following the same protocol but without adding serum. A 5 μl aliquot from each individual sample was pooled together to make a quality control sample.

Sampleprep ID:

SP002834

Sampleprep Summary:

Dual extraction procedures of serum metabolome were as follows: A 50 μl serum sample was mixed with 300 μl ice-cold methanol in a 1.5 ml Eppendorf vial and vortex for 2 min. The solution was kept at −20°C for 4 h to precipitate proteins. After that, 1000 μl methyl tert-butyl ether was added to extract lipids. After 5 min shake, 350 μl H2O was added to induce the phase separation. The solution was vortex for 10 s and rested at room temperature for 10 min, followed by centrifugation at 14,000 rpm at 4°C for 15 min, for complete phase separation. The clear lower layer was separated into a new vial and dried in SpeedVac at 20°C for 4 h. The dried extract was then reconstituted in 150 μl acetonitrile and water (1:1, v:v) mixed solvent for LC–MS metabolomics analysis. The method blank was also prepared following the same protocol but without adding serum. A 5 μl aliquot from each individual sample was pooled together to make a quality control sample.