Summary of study ST001428

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 PR000980. The data can be accessed directly via it's Project DOI: 10.21228/M8169P 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.

Perform statistical analysis  |  Show all samples  |  Show named metabolites  |  Download named metabolite data  |  Download all metabolite data  |  Perform analysis on untargeted data  |  Download mwTab file (text)   |  Download mwTab file(JSON)   |  Download data (Contains raw data)
Study IDST001428
Study TitleRole of environmental toxicants in modulating disease severity in children with NAFLD
Study SummaryThis project aims to further understand about how the environment impacts nonalcoholic fatty liver disease NAFLD and nonalcoholic steatohepatitis (NASH) in children. At present the NASH CRN has the largest, well characterized cohort of children with NAFLD, including clinical data, labs, cytokines, genetic polymorphisms, but no proteomics, metabolomics, lipidomics or toxicant assessment. Exposure and untargeted metabolomics analyses will examine the role of environmental toxicants in modulating disease severity and the endogenous response to exposures in children with NAFLD.
Institute
Emory University
DepartmentSchool of Medicine
LaboratoryClincal Biomarkers Laboratory
Last NameTran
First NameViLinh
Address615 Michael St, suite 225, Atlanta GA 30322
Emailvtran6@emory.edu
Phone9122281788
Submit Date2020-07-17
Total Subjects427
Study CommentsBoth CHEAR pooled plasma samples and Clinical Biomarker Laboratory pooled plasma samples were used
Raw Data AvailableYes
Raw Data File Type(s).raw
Chear Study2017-1593
Analysis Type DetailLC-MS
Release Date2020-07-30
Release Version1
ViLinh Tran ViLinh Tran
https://dx.doi.org/10.21228/M8169P
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:


Combined analysis:

Analysis ID AN002387 AN002388
Analysis type MS MS
Chromatography type HILIC Reversed phase
Chromatography system Dionex UltiMate 3000 Dionex UltiMate 3000
Column Waters XBridge BEH Amide XP HILIC ( 2.1mm x 50mm x 2.5um) with Thermo Accucore HILIC guard column Higgins endcapped C18 stainless steel column. (2.1mm x 50mm x 3μm) with Thermo Accucore HILIC guard column
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q Exactive HF hybrid Orbitrap Thermo Q Exactive HF hybrid Orbitrap
Ion Mode POSITIVE NEGATIVE
Units peak area peak area

Chromatography:

Chromatography ID:CH001754
Chromatography Summary:The HILIC column is operated parallel to reverse phase column for simultaneous analytical separation and column flushing through the use of a dual head HPLC pump equipped with 10-port and 6-port switching valves. During operation of HILIC separation method, the MS is operated in positive ion mode and 10 microliters of sample is injected onto the HILIC column while the reverse phase column is flushing with wash solution. Flow rate is maintained at 0.35 mL/min until 1.5 min, increased to 0.4 mL/min at 4 min and held for 1 min. Solvent A is 100% LC-MS grade water, solvent B is 100% LC-MS grade acetonitrile and solvent C is 2% formic acid (v/v) in LC-MS grade water. Initial mobile phase conditions "are 22.5% A, 75% B, 2.5% C hold for 1.5 min, with linear gradient to 77.5% A," "20% B, 2.5% C at 4 min, hold for 1 min, resulting in a total analytical run time" "of 5 min. During the flushing phase (reverse phase analytical separation), the HILIC column is equilibrated with a wash solution of 77.5% A, 20% B, 2.5% C.
Methods ID:2% formic acid in LC-MS grade water
Methods Filename:20200407_posHILIC120kres5min_ESI_c18negwash.meth
Chromatography Comments:Triplicate injections for each chromatography mode. Waters XBridge BEH Amide XP HILIC ( 2.1mm x 50mm x 2.5um) with Thermo Accucore HILIC guard column
Instrument Name:Dionex UltiMate 3000
Column Name:Waters XBridge BEH Amide XP HILIC ( 2.1mm x 50mm x 2.5um) with Thermo Accucore HILIC guard column
Column Temperature:60C
Sample Injection:10 uL
Solvent A:LC-MS grade water
Solvent B:LC-MS grade acetonitrile
Analytical Time:5 min
Sample Loop Size:15 uL
Sample Syringe Size:100 uL
Chromatography Type:HILIC
  
Chromatography ID:CH001755
Chromatography Summary:The C18 column is operated parallel to the HILIC column for simultaneous analytical separation and column flushing through the use of a dual head HPLC pump equipped with 10-port and 6- port switching valves. During operation of the C18 method, the MS is operated in negative ion mode and 10 uL of sample is injected onto the C18 column while the HILIC column is flushing with wash solution. Flow rate is maintained at 0.4 mL/min until 1.5 min, increased to 0.5 mL/min at 2 min and held for 3 min. Solvent A is 100% LC-MS grade water, solvent B is 100% LC-MS grade acetonitrile and solvent C is 10mM ammonium acetate in LC-MS grade water. Initial mobile phase conditions are 60% A, 35% B, 5% C hold for 0.5 min, with linear gradient to 0% A, 95% B, 5% C at 1.5 min, hold for 3.5 min, resulting in a total analytical run time of 5 min. During the flushing phase (HILIC analytical separation), the C18 column is equilibrated with a wash solution of 0% A, 95% B, 5% C until 2.5 min, followed by an equilibration solution of 60% A, 35% B, 5% C for 2.5 min.
Methods ID:10mM ammonium acetate in LC-MS grade water
Methods Filename:20200407_negC18120kres5min_ESI_HILICposwash.meth
Chromatography Comments:Higgins endcapped C18 stainless steel column. (2.1mm x 50mm x 3μm) with Thermo Accucore HILIC guard column. Product #TS-0521-C183; Thermo Accucore C18 guard column with holder, Product #17126-014005
Instrument Name:Dionex UltiMate 3000
Column Name:Higgins endcapped C18 stainless steel column. (2.1mm x 50mm x 3μm) with Thermo Accucore HILIC guard column
Column Temperature:60C
Flow Rate:0.4 mL/min for 1.5 min; linear increase to 0.5 mL/min at 2 min held for 3 min
Sample Injection:10 uL
Solvent A:LC-MS grade water
Solvent B:LC-MS grade acetonitrile
Analytical Time:5 min
Sample Loop Size:15 uL
Sample Syringe Size:100 uL
Chromatography Type:Reversed phase
  logo