Summary of Study ST001181

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 PR000793. The data can be accessed directly via it's Project DOI: 10.21228/M85T13 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 IDST001181
Study TitleChild Health and Development Studies womb to breast cancer F0 metabolomics
Study SummaryWe used high resolution metabolomics to understand DDT-induced alterations of in utero environment and potential health effects. This study measured endogenous metabolites in 397 maternal perinatal serum samples collected during 1959-1967 in the Child Health and Development Studies (CHDS) and assessed associations between metabolites and envrionmental chemical concentrations in maternal serum.
Institute
Emory University
Last NameHu
First NameXin
AddressEmory University Whitehead building (Rm 225), 615 Michael Street
Emailxin.hu2@emory.edu
Phone4047275091
Submit Date2019-05-08
Raw Data File Type(s)raw(Thermo)
Analysis Type DetailLC-MS
Release Date2019-10-11
Release Version1
Xin Hu Xin Hu
https://dx.doi.org/10.21228/M85T13
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000793
Project DOI:doi: 10.21228/M85T13
Project Title:Child Health and Development Studies womb to breast cancer F0 metabolomics
Project Summary:This study measured untargeted metabolomics in 397 maternal perinatal serum samples (mostly early postpartum) collected during 1959-1967 in the Child Health and Development Studies (CHDS) and assessed associations between metabolites and environmental chemical concentrations in maternal serum.
Institute:Emory University
Department:Medicine
Laboratory:Dean Jones
Last Name:Hu
First Name:Xin
Address:615 Michael Street, Room 225
Email:xin.hu2@emory.edu
Phone:4047275091
Contributors:Child Health and Development Studies, Public Health Institute

Subject:

Subject ID:SU001247
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Age Or Age Range:16-44 years old
Gender:Female

Factors:

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

mb_sample_id local_sample_id Trimester
SA08162232.11_subj1
SA08162332.08_subj1
SA08162432.07_subj1
SA08162539.02_subj2
SA08162639.01_subj2
SA08162739.1_subj2
SA08162841.08_subj2
SA08162938.05_subj2
SA08163041.07_subj2
SA08163141.05_subj2
SA08163224.06_subj2
SA08163324.11_subj2
SA08163424.12_subj2
SA08163524.09_subj2
SA08163641.1_subj2
SA08163738.03_subj2
SA08163838.04_subj2
SA08163939.06_subj2
SA0816402.06_subj3
SA08164139.03_subj3
SA08164216.01_subj3
SA08164339.05_subj3
SA08164416.07_subj3
SA08164541.02_subj3
SA0816469.02_subj3
SA08164716.09_subj3
SA08164824.07_subj3
SA08164941.09_subj3
SA08165033.01_subj3
SA08165139.12_subj3
SA08165228.02_subj3
SA08165333.04_subj3
SA08165433.05_subj3
SA0816552.12_subj3
SA0816569.01_subj3
SA08165741.12_subj3
SA08165841.01_subj3
SA08165937.05_subj3
SA08166025.09_subj3
SA08166118.08_subj3
SA08166219.08_subj3
SA08166319.07_subj3
SA08166418.11_subj3
SA08166525.03_subj3
SA08166625.01_subj3
SA08166735.11_subj3
SA08166835.07_subj3
SA08166918.05_subj3
SA08167017.07_subj3
SA08167140.1_subj3
SA08167217.04_subj3
SA08167340.09_subj3
SA08167419.11_subj3
SA08167518.04_subj3
SA08167619.09_subj3
SA08167735.05_subj3
SA08167824.04_subj3
SA08167928.01_subj3
SA08168029.04_subj3
SA08168121.02_subj3
SA08168221.03_subj3
SA08168321.01_subj3
SA08168428.04_subj3
SA08168520.1_subj3
SA08168620.11_subj3
SA08168729.08_subj3
SA08168829.1_subj3
SA08168923.05_subj3
SA08169023.02_subj3
SA08169137.07_subj3
SA08169223.06_subj3
SA08169321.1_subj3
SA08169423.1_subj3
SA08169537.01_subj3
SA08169620.09_subj3
SA08169713.01_subj3
SA0816985.03_subj3
SA08169914.02_subj3
SA08170014.03_subj3
SA08170120.08_subj3
SA08170214.04_subj3
SA0817035.04_subj3
SA08170424.03_subj3
SA08170514.01_subj3
SA08170628.1_subj3
SA08170713.08_subj3
SA0817085.1_subj3
SA0817099.08_subj3
SA08171013.11_subj3
SA08171136.05_subj4
SA08171237.03_subj4
SA08171337.04_subj4
SA08171436.03_subj4
SA08171536.08_subj4
SA0817169.04_subj4
SA08171736.04_subj4
SA0817189.05_subj4
SA08171936.09_subj4
SA08172036.07_subj4
SA08172136.11_subj4
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Collection:

Collection ID:CO001241
Collection Summary:Blood serum samples were collected from nonfasting participants in the CHDS Study during preganancy (trimester 1-3) or early postpartum (trimester 4). The CHDS recruited women residing in the Oakland, California area who were members of the Kaiser Foundation Health Plan and received obstetric care for pregnancies between 1959 and 1967. All serum samples were stored at -20°C at the repository and shipped frozen to the laboratory for further storage at -80°C.
Sample Type:Blood (serum)

Treatment:

Treatment ID:TR001262
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:SP001255
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:HRM_sample_preparation_082016_01.pdf

Combined analysis:

Analysis ID AN001959
Analysis type MS
Chromatography type Reversed phase
Chromatography system Thermo Dionex Ultimate 3000
Column Thermo Accucore C18 (100 x 2.1mm,2.6um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive Orbitrap
Ion Mode POSITIVE
Units Peak area

Chromatography:

Chromatography ID:CH001420
Chromatography Summary:Mass spectral data were collected with a 10-minute gradient on a Thermo QExactive coupled with Dionex Ultimate 3000 (Thermo Fisher, San Diego, CA) set to collect data from m/z 85 to 1275 in positive ionization mode at 70,000 resolution. Three technical replicates were run for each sample using dual chromatography measuring both polarities (positive and negative) with a C18 column (Higgins Analytical, 100x2.1mm, 5uL). The right pump controls the gradient with Solvent A as 100% water, Solvent B as 100% Acetontrile, and Solvent C as 98% water with 2% Formic Acid. The left pump is set up to wash (Acetonitrile with 2% Formic Acid) one of the columns while the other column is running the gradient.
Instrument Name:Thermo Dionex Ultimate 3000
Column Name:Thermo Accucore C18 (100 x 2.1mm,2.6um)
Solvent A:100% water(A), 100% acetontrile(B), 100% water; 2% formic acid©
Solvent B:100% water(A), 100% acetontrile(B), 100% water; 2% formic acid(C)
Chromatography Type:Reversed phase

MS:

MS ID:MS001814
Analysis ID:AN001959
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Mass spectral data were collected with a 10-minute gradient on a Thermo QExactive coupled with Dionex Ultimate 3000 (Thermo Fisher, San Diego, CA) set to collect data from m/z 85 to 1275 in positive ionization mode at 70,000 resolution. Three technical replicates were run for each sample using dual chromatography measuring both polarities (positive and negative) with a C18 column (Higgins Analytical, 100x2.1mm, 5uL). The right pump controls the gradient with Solvent A as 100% water, Solvent B as 100% Acetontrile, and Solvent C as 98% water with 2% Formic Acid. The left pump is set up to wash (Acetonitrile with 2% Formic Acid) one of the columns while the other column is running the gradient. The raw data was processed with Xcalibur 3.0.63
Ion Mode:POSITIVE
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