Summary of Study ST001209

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 PR000805. The data can be accessed directly via it's Project DOI: 10.21228/M8MX2J 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 mwTab file (text)   |  Download mwTab file(JSON)   |  Download data files (Contains raw data)
Study IDST001209
Study TitleMARBLES (Markers of Autism Risk in Babies: Learning Early Sign) Enriched Cohort Study:Internal Metabolomic Biomarker Exposome and Development Disorders (IMBEDD)
Study SummaryThis project aims to identify internal biomarkers of drug, food and microbial exposures associated to Autism Spectrum Disorder (ASD) and neurodevelopmental outcomes in an enriched-risk cohort. Using targeted and untargeted internal exposome approaches to identify exposures in maternal blood and child cord blood, internal metabolomics biomarkers will be associated with related exposures and also associated with ASD.
Institute
Emory University
DepartmentSchool of Medicine
LaboratoryClincal Biomarkers Laboratory
Last NameUppal
First NameKaran
AddressNA
Emailkuppal2@emory.edu
Phone(404) 727 5027
Submit Date2019-07-03
Total Subjects269
Study CommentsBoth CHEAR pooled plasma samples and Clinical Biomarker Laboratory pooled plasma samples were used
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Chear Study2016-1438
Analysis Type DetailLC-MS
Release Date2021-08-31
Release Version1
Karan Uppal Karan Uppal
https://dx.doi.org/10.21228/M8MX2J
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:


Project:

Project ID:PR000805
Project DOI:doi: 10.21228/M8MX2J
Project Title:MARBLES (Markers of Autism Risk in Babies: Learning Early Sign) Enriched Cohort Study: Internal Metabolomic Biomarker Exposome and Development Disorders (IMBEDD)
Project Type:NIH/NIEHS 1U2CES026560-01
Project Summary:This project aims to identify internal biomarkers of drug, food and microbial exposures associated to Autism Spectrum Disorder (ASD) and neurodevelopmental outcomes in an enriched-risk cohort. Using targeted and untargeted internal exposome approaches to identify exposures in maternal blood and child cord blood, internal metabolomics biomarkers will be associated with related exposures and also associated with ASD.
Institute:Emory University
Department:School of Medicine
Laboratory:Clinical Biomarkers Laboratory
Last Name:Tran
First Name:ViLinh
Address:NA
Email:vtran6@emory.edu
Phone:(404) 727 5027
Funding Source:NIEHS ES026560

Subject:

Subject ID:SU001276
Subject Type:plasma
Subject Species:Homo sapiens
Taxonomy ID:9606
Age Or Age Range:pediatric samples - 0 to 3 yrs

Factors:

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

mb_sample_id local_sample_id Plasma
SA084864C-1GVP1-P-00_1Plasma
SA084865C-1GTV0-P-00_1Plasma
SA084866chearplasma_5c_1Plasma
SA084867C-1H4J6-P-00_1Plasma
SA084868chearplasma_5d_1Plasma
SA084869C-1H7T1-P-00_1Plasma
SA084870C-1H0J0-P-00_1Plasma
SA084871C-1H312-P-00_1Plasma
SA084872C-1GYG8-P-00_1Plasma
SA084873C-1H4K4-P-00_1Plasma
SA084874C-1H528-P-00_1Plasma
SA084875C-1GV92-P-00_1Plasma
SA084876C-1H692-P-00_1Plasma
SA084877C-1GXX1-P-00_1Plasma
SA084878C-1H0C6-P-00_1Plasma
SA084879C-1GWR6-P-00_1Plasma
SA084880C-1H262-P-00_1Plasma
SA084881C-1H882-P-00_1Plasma
SA084882C-1H0K8-P-00_1Plasma
SA084883C-1H684-P-00_1Plasma
SA084884C-1GZL6-P-00_1Plasma
SA084885chearplasma_5f_1Plasma
SA084886chearplasma_5e_1Plasma
SA084887C-1GZD3-P-00_1Plasma
SA084888Q-Std Plasma pool_5b_1Plasma
SA084889Q-Std Plasma pool_6a_1Plasma
SA084890C-1H7A3-P-00_1Plasma
SA084891chearplasma_6b_1Plasma
SA084892chearplasma_6a_1Plasma
SA084893C-1GXN3-P-00_1Plasma
SA084894C-1GTY3-P-00_1Plasma
SA084895C-1H1A9-P-00_1Plasma
SA084896C-1H551-P-00_1Plasma
SA084897C-1H4T4-P-00_1Plasma
SA084898C-1H0A0-P-00_1Plasma
SA084899C-1GTL2-P-00_1Plasma
SA084900C-1H8H7-P-00_1Plasma
SA084901C-1H6X3-P-00_1Plasma
SA084902C-1GUT3-P-00_1Plasma
SA084903C-1H296-P-00_1Plasma
SA084904C-1H3Y4-P-00_1Plasma
SA084905C-1GY40-P-00_1Plasma
SA084906C-1H338-P-00_1Plasma
SA084907C-1H759-P-00_1Plasma
SA084908C-1H1E0-P-00_1Plasma
SA084909C-1H288-P-00_1Plasma
SA084910C-1H5U1-P-00_1Plasma
SA084911C-1H4L2-P-00_1Plasma
SA084912C-1GU93-P-00_1Plasma
SA084913C-1H5G2-P-00_1Plasma
SA084914C-1GUF4-P-00_1Plasma
SA084915C-1GVN5-P-00_1Plasma
SA084916C-1GY81-P-00_1Plasma
SA084917C-1H7E4-P-00_1Plasma
SA084918C-1H6E5-P-00_1Plasma
SA084919chearplasma_4c_1Plasma
SA084920chearplasma_4d_1Plasma
SA084921C-1H6N5-P-00_1Plasma
SA084922C-1GXW4-P-00_1Plasma
SA084923C-1H8B0-P-00_1Plasma
SA084924C-1H8P9-P-00_1Plasma
SA084925C-1GYW3-P-00_1Plasma
SA084926C-1H460-P-00_1Plasma
SA084927C-1H6Q9-P-00_1Plasma
SA084928C-1GX17-P-00_1Plasma
SA084929C-1H635-P-00_1Plasma
SA084930C-1H8G9-P-00_1Plasma
SA084931C-1H1W1-P-00_1Plasma
SA084932C-1GZ80-P-00_1Plasma
SA084933C-1GW42-P-00_1Plasma
SA084934chearplasma_5b_1Plasma
SA084935chearplasma_5a_1Plasma
SA084936C-1GZW2-P-00_1Plasma
SA084937C-1GXT0-P-00_1Plasma
SA084938C-1H2S8-P-00_1Plasma
SA084939C-1H6Y1-P-00_1Plasma
SA084940chearplasma_4e_1Plasma
SA084941Q-Std Plasma pool_5a_1Plasma
SA084942Q-Std Plasma pool_4b_1Plasma
SA084943chearplasma_4f_1Plasma
SA084944C-1H4E7-P-00_1Plasma
SA084945C-1GU36-P-00_1Plasma
SA084946C-1H4C2-P-00_1Plasma
SA084947C-1H6M8-P-00_1Plasma
SA084948C-1H4G3-P-00_1Plasma
SA084949C-1H569-P-00_1Plasma
SA084950C-1GUV9-P-00_1Plasma
SA084951C-1H5C1-P-00_1Plasma
SA084952C-1H304-P-00_1Plasma
SA084953C-1GY16-P-00_1Plasma
SA084954C-1H700-P-00_1Plasma
SA084955C-1H8C8-P-00_1Plasma
SA084956C-1H155-P-00_1Plasma
SA084957Q-Std Plasma pool_7a_1Plasma
SA084958Q-Std Plasma pool_6b_1Plasma
SA084959chearplasma_6f_1Plasma
SA084960chearplasma_7a_1Plasma
SA084961chearplasma_7b_1Plasma
SA084962C-1H361-P-00_1Plasma
SA084963C-1H6L0-P-00_1Plasma
Showing page 1 of 4     Results:    1  2  3  4  Next     Showing results 1 to 100 of 326

Collection:

Collection ID:CO001270
Collection Summary:Blood plasma samples were collected from participants in the MARBLES prospective cohort study at enrollment and each trimester following. Blood samples were collected in tubes containing EDTA and after centrifugation aliquots of plasma were transferred to 1.8ml freezer tubes and stored in a -70 degrees C freezer.
Sample Type:plasma
Storage Conditions:Described in summary

Treatment:

Treatment ID:TR001291
Treatment Summary:Samples were received frozen in aliquouts of <250uL. Prior to analysis, sample were thawed and prepared for HRM analysis using the standard protocols described in the Sample Preparation section.

Sample Preparation:

Sampleprep ID:SP001284
Sampleprep Summary:Samples were prepared for metabolomics analysis using established methods(Johnson et al. (2010). Analyst; Go et al. (2015). Tox Sci). Prior to analysis, plasma aliquots were removed from storage at -80 degrees C and thawed on ice. Each cryotube was then vortexed briefly to ensure homogeneity, and 50 microliters was transferred to a clean microfuge tube. Immediately after, the plasma was treated with 100 microliters of ice-cold LC-MS grade acetonitrile (Sigma Aldrich) containing 2.5 microliters of internal standard solution with eight stable isotopic chemicals selected to cover a range of chemical properties. Following addition of acetonitrile, urine was equilibrated for 30 min on ice, upon which precipitated proteins were removed by centrifuge (14,000 rpm at 4 degrees C for 10 min). The resulting supernatant (100 microliters) was removed, added to a low volume autosampler vial and maintained at 4 degrees C until analysis (<22 h).
Sampleprep Protocol ID:HRM_SP_082016_01
Sampleprep Protocol Filename:EmoryUniversity_HRM_SP_082016_01.pdf
Sampleprep Protocol Comments:Date effective: 30 July 2016
Extraction Method:2:1 acetonitrile: sample followed by vortexing and centrifugation

Combined analysis:

Analysis ID AN002012 AN002013
Analysis type MS MS
Chromatography type HILIC Reversed phase
Chromatography system Thermo Dionex Ultimate 3000 Thermo Dionex Ultimate 3000
Column Waters XBridge BEH Amide XP HILIC column. 2.1mm x 50mm x 2.5μm particle size with Thermo Accucore HILIC guard column Higgins endcapped C18 stainless steel column. 2.1mm x 50mm x 3μm particle size, Product #TS-0521-C183; Thermo Accucore C18 guard column with holder, Product #17126-014005
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:CH001455
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:20160920_posHILIC120kres5min_ESI_c18negwash.meth
Chromatography Comments:Triplicate injections for each chromatography mode
Instrument Name:Thermo Dionex Ultimate 3000
Column Name:Waters XBridge BEH Amide XP HILIC column. 2.1mm x 50mm x 2.5μm particle size 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:CH001456
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:20160920_negC18120kres5min_ESI_HILICposwash.meth
Instrument Name:Thermo Dionex Ultimate 3000
Column Name:Higgins endcapped C18 stainless steel column. 2.1mm x 50mm x 3μm particle size, Product #TS-0521-C183; Thermo Accucore C18 guard column with holder, Product #17126-014005
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

MS:

MS ID:MS001865
Analysis ID:AN002012
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:none
Ion Mode:POSITIVE
Capillary Temperature:250C
Collision Gas:N2
Dry Gas Flow:45
Dry Gas Temp:150C
Mass Accuracy:< 3ppm
Spray Voltage:3500
Activation Parameter:5.00E+05
Activation Time:118ms
Interface Voltage:S-Lens RF level= 55
Scanning Range:85-1275
Analysis Protocol File:EmoryUniversity_HRM_QEHF-MS_092017_v1.pdf
  
MS ID:MS001866
Analysis ID:AN002013
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:none
Ion Mode:NEGATIVE
Capillary Temperature:250C
Collision Gas:N2
Dry Gas Flow:45
Dry Gas Temp:150C
Mass Accuracy:< 3ppm
Spray Voltage:-4000
Activation Parameter:5.00E+05
Activation Time:118ms
Interface Voltage:S-Lens RF level= 55
Scanning Range:85-1275
Analysis Protocol File:EmoryUniversity_HRM_QEHF-MS_092017_v1.pdf
  logo