Summary of Study ST001193

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.

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Study IDST001193
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 Date2019-06-11
Total Subjects147
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

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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:SU001260
Subject Type:Cord Blood
Subject Species:Homo sapiens
Taxonomy ID:9606
Age Or Age Range:pediatric samples - 0 to 3 yrs

Factors:

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

mb_sample_id local_sample_id Plasma
SA082904C-1GU77-CB-00_1Cord blood
SA082905C-1GU44-CB-00_1Cord blood
SA082906C-1H130-CB-00_1Cord blood
SA082907C-1H5Q0-CB-00_1Cord blood
SA082908C-1H1H4-CB-00_1Cord blood
SA082909C-1GW67-CB-00_1Cord blood
SA082910C-1H5S5-CB-00_1Cord blood
SA082911C-1GV50-CB-00_1Cord blood
SA082912C-1H2L4-CB-00_1Cord blood
SA082913C-1GW59-CB-00_1Cord blood
SA082914C-1H114-CB-00_1Cord blood
SA082915C-1GZG7-CB-00_1Cord blood
SA082916C-1H2X7-CB-00_1Cord blood
SA082917C-1GX25-CB-00_1Cord blood
SA082918C-1H2W0-CB-00_1Cord blood
SA082919C-1H585-CB-00_1Cord blood
SA082920C-1GWG0-CB-00_1Cord blood
SA082921C-1H650-CB-00_1Cord blood
SA082922C-1H6G1-CB-00_1Cord blood
SA082923C-1H6H9-CB-00_1Cord blood
SA082924C-1GYT9-CB-00_1Cord blood
SA082925C-1H1U5-CB-00_1Cord blood
SA082926C-1H171-CB-00_1Cord blood
SA082927C-1H2V2-CB-00_1Cord blood
SA082928C-1GV68-CB-00_1Cord blood
SA082929C-1GWQ8-CB-00_1Cord blood
SA082930C-1H6D7-CB-00_1Cord blood
SA082931C-1H7Y0-CB-00_1Cord blood
SA082932C-1GZU6-CB-00_1Cord blood
SA082933C-1H2C4-CB-00_1Cord blood
SA082934C-1GV19-CB-00_1Cord blood
SA082935C-1H3L3-CB-00_1Cord blood
SA082936C-1H0Q5-CB-00_1Cord blood
SA082937C-1H6F3-CB-00_1Cord blood
SA082938C-1H6W6-CB-00_1Cord blood
SA082939C-1GYY8-CB-00_1Cord blood
SA082940C-1H064-CB-00_1Cord blood
SA082941C-1H3Q2-CB-00_1Cord blood
SA082942C-1GWD6-CB-00_1Cord blood
SA082943C-1H7P0-CB-00_1Cord blood
SA082944C-1GYJ1-CB-00_1Cord blood
SA082945C-1GZ72-CB-00_1Cord blood
SA082946C-1GZR3-CB-00_1Cord blood
SA082947C-1H7K1-CB-00_1Cord blood
SA082948C-1GXS2-CB-00_1Cord blood
SA082949C-1H6U0-CB-00_1Cord blood
SA082950C-1GYD4-CB-00_1Cord blood
SA082951C-1GY73-CB-00_1Cord blood
SA082952C-1GX74-CB-00_1Cord blood
SA082953C-1H627-CB-00_1Cord blood
SA082954C-1H5A5-CB-00_1Cord blood
SA082955C-1GUC1-CB-00_1Cord blood
SA082956C-1H619-CB-00_1Cord blood
SA082957C-1GX82-CB-00_1Cord blood
SA082958C-1GZQ5-CB-00_1Cord blood
SA082959C-1H2A8-CB-00_1Cord blood
SA082960C-1H7X2-CB-00_1Cord blood
SA082961C-1GTW8-CB-00_1Cord blood
SA082962C-1H0W2-CB-00_1Cord blood
SA082963C-1GYU7-CB-00_1Cord blood
SA082964C-1GVW6-CB-00_1Cord blood
SA082965C-1H8E3-CB-00_1Cord blood
SA082966C-1H4X5-CB-00_1Cord blood
SA082967C-1H3J7-CB-00_1Cord blood
SA082968C-1GWA3-CB-00_1Cord blood
SA082969C-1H7S3-CB-00_1Cord blood
SA082970C-1GUA5-CB-00_1Cord blood
SA082971C-1GWS3-CB-00_1Cord blood
SA082972C-1H783-CB-00_1Cord blood
SA082973C-1H4N7-CB-00_1Cord blood
SA082974C-1H3N8-CB-00_1Cord blood
SA082975C-1H452-CB-00_1Cord blood
SA082976C-1H890-CB-00_1Cord blood
SA082977C-1GZ15-CB-00_1Cord blood
SA082978C-1H8L8-CB-00_1Cord blood
SA082979C-1GUR8-CB-00_1Cord blood
SA082980C-1GYE2-CB-00_1Cord blood
SA082981C-1GX09-CB-00_1Cord blood
SA082982C-1H1L5-CB-00_1Cord blood
SA082983C-1H031-CB-00_1Cord blood
SA082984C-1GYN2-CB-00_1Cord blood
SA082985C-1H8R5-CB-00_1Cord blood
SA082986C-1GUQ0-CB-00_1Cord blood
SA082987C-1H0T8-CB-00_1Cord blood
SA082988C-1H7B1-CB-00_1Cord blood
SA082989C-1GWP0-CB-00_1Cord blood
SA082990C-1GZ56-CB-00_1Cord blood
SA082991C-1GU28-CB-00_1Cord blood
SA082992C-1H0G7-CB-00_1Cord blood
SA082993C-1GUM9-CB-00_1Cord blood
SA082994C-1H2N9-CB-00_1Cord blood
SA082995C-1GWY0-CB-00_1Cord blood
SA082996C-1H858-CB-00_1Cord blood
SA082997C-1GYX0-CB-00_1Cord blood
SA082998C-1GZV4-CB-00_1Cord blood
SA082999C-1H7F2-CB-00_1Cord blood
SA083000C-1GYF0-CB-00_1Cord blood
SA083001C-1H5D8-CB-00_1Cord blood
SA083002C-1H2U4-CB-00_1Cord blood
SA083003C-1GZB8-CB-00_1Cord blood
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Collection:

Collection ID:CO001254
Collection Summary:Cord blood samples were collected from infant participants at birth. Cord blood collected in tubes containing EDTA were transferred to 1.8ml freezer tubes and stored in a -70 degrees C freezer. The samples were shipped on dry ice from the University of California Davis biorepository storage facility and subsequently to the metabolomics analysis lab at Emory University.
Sample Type:Cord Blood
Storage Conditions:Described in summary

Treatment:

Treatment ID:TR001275
Treatment Summary:Samples were received frozen in aliquouts of <250uL. Prior to analysis, samples were thawed and prepared for HRM analysis using the standard protocols described in the Sample Preparation section.

Sample Preparation:

Sampleprep ID:SP001268
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 AN001988 AN001989
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:CH001436
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:CH001437
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 μL 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:MS001841
Analysis ID:AN001988
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:NA
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:MS001842
Analysis ID:AN001989
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:NA
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
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