Summary of Study ST002762

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 PR001720. The data can be accessed directly via it's Project DOI: 10.21228/M8CM6S 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 IDST002762
Study TitleThe ECHO Cohort Exposome: First Steps using HHEAR Analysis – An Opportunity for ALL ECHO Cohorts to Contribute Type A Samples – Untargeted Analysis (ECHO-NOVI Cohort)
Study TypeProspective Cohort Study
Study SummaryThe Neonatal Neurobehavior and Outcomes in Very Preterm Infants cohort is a prospective study of infants born <30 weeks postmenstrual age who through ECHO are being followed from age 2 to 7 to understand the neurobehavioral and other health outcomes of very preterm infants. The goal is to identify environmental factors and behaviors that can place these children at greater risk for or provide protection from adverse developmental outcomes. Please contact Carmen Marsit at carmen.j.marsit@emory.edu for questions related to the subject characteristics and outcomes. This research was supported by the Environmental influences on Child Health Outcomes (ECHO) Program, Office of The Director, National Institutes of Health. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. ECHO-NOVI is an ECHO cohort which is supported by the following ECHO Program Collaborators: ECHO-NOVI Cohort Award, UH3OD023347 to mPIs Barry Lester, Women and Infants Hospital, Providence, RI and Carmen Marsit, Emory University, Atlanta, GA. ECHO Coordinating Center: Duke Clinical Research Institute, Durham, North Carolina: Smith PB, Newby KL, Benjamin DK; U2C OD023375 ECHO Data Analysis Center: Johns Hopkins University Bloomberg School of Public Health, Baltimore, Maryland: Jacobson LP; Research Triangle Institute, Durham, North Carolina: Catellier D; U24 OD023382 North Carolina Human Health Exposure Analysis Resource Hub: Research Triangle Institute: Fennell T, University of North Carolina at Chapel Hill: Sumner S, University of North Carolina at Charlotte: Du X; U2C ES030857 Human Health Exposure Analysis Resource Coordinating Center: Westat, Inc., Rockville, Maryland: O’Brien B; U24 ES026539
Institute
Emory University
DepartmentRollins School of Public Health
Last NameMarsit
First NameCarmen
Address1518 Clifton Road, NE 8008 Claudia Nance Rollins Building Atlanta, GA 30322
Emailcarmen.j.marsit@emory.edu
Phone(404) 712-8912
Submit Date2023-06-27
Total Subjects265 (12 are duplicate study samples)
Study CommentsHHEAR Project EM20-0011, ECHO Project EC0376
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Chear StudyYes
Analysis Type DetailLC-MS
Release Date2024-06-27
Release Version1
Carmen Marsit Carmen Marsit
https://dx.doi.org/10.21228/M8CM6S
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR001720
Project DOI:doi: 10.21228/M8CM6S
Project Title:The ECHO Cohort Exposome: First Steps using HHEAR Analysis – An Opportunity for ALL ECHO Cohorts to Contribute Type A Samples – Untargeted Analysis (ECHO-NOVI Cohort)
Project Type:C18 Reversed-Phase Broad Spectrum Metabolomics
Project Summary:This project was funded by the NIH Environmental influences on Child Health Outcomes (ECHO) Program. Untargeted metabolomics profiling data was acquired from urine samples provided by 14 ECHO cohorts.
Institute:NC HHEAR Hub
Department:Untargeted Analysis
Laboratory:Sumner Lab
Last Name:Rushing
First Name:Blake
Address:Nutrition Research Institute , University of North Carolina at Chapel Hill, 500 Laureate Way Kannapolis, NC 28081
Email:blake_rushing@unc.edu
Phone:(704) 282-9838
Funding Source:This research was supported by the Environmental influences on Child Health Outcomes (ECHO) program, Office of The Director, National Institutes of Health. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. The ECHO-NOVI Cohort is supported by the following ECHO Program Collaborators: ECHO Coordinating Center: Duke Clinical Research Institute, Durham, North Carolina: Smith PB, Newby KL, Benjamin DK; U2C OD023375; ECHO Data Analysis Center: Johns Hopkins University Bloomberg School of Public Health, Baltimore, Maryland: Jacobson LP; Research Triangle Institute, Durham, North Carolina: Catellier D; U24 OD023382; North Carolina Human Health Exposure Analysis Resource Hub: Research Triangle Institute: Fennell T, University of North Carolina at Chapel Hill: Sumner S, University of North Carolina at Charlotte: Du X; U2C ES030857; Human Health Exposure Analysis Resource Coordinating Center: Westat, Inc., Rockville, Maryland: O’Brien B; U24 ES026539

Subject:

Subject ID:SU002869
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606

Factors:

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

mb_sample_id local_sample_id Sample Type Batch
SA291201NOVI_B_8Blank 1
SA291202NOVI_B_1Blank 1
SA291203NOVI_B_7Blank 1
SA291204NOVI_B_6Blank 1
SA291205NOVI_B_2Blank 1
SA291206NOVI_B_4Blank 1
SA291207NOVI_B_3Blank 1
SA291208NOVI_B_5Blank 1
SA291209NOVI_B_15Blank 2
SA291210NOVI_B_16Blank 2
SA291211NOVI_B_14Blank 2
SA291212NOVI_B_11Blank 2
SA291213NOVI_B_13Blank 2
SA291214NOVI_B_10Blank 2
SA291215NOVI_B_9Blank 2
SA291216NOVI_B_12Blank 2
SA291217NOVI_B_24Blank 3
SA291218NOVI_B_25Blank 3
SA291219NOVI_B_27Blank 3
SA291220NOVI_B_23Blank 3
SA291221NOVI_B_26Blank 3
SA291222NOVI_B_19Blank 3
SA291223NOVI_B_18Blank 3
SA291224NOVI_B_22Blank 3
SA291225NOVI_B_17Blank 3
SA291226NOVI_B_20Blank 3
SA291227NOVI_B_21Blank 3
SA291228NOVI_CHEAR_U_3CHEAR 1
SA291229NOVI_CHEAR_U_4CHEAR 1
SA291230NOVI_CHEAR_U_2CHEAR 1
SA291231NOVI_CHEAR_U_1CHEAR 1
SA291232NOVI_CHEAR_U_8CHEAR 2
SA291233NOVI_CHEAR_U_7CHEAR 2
SA291234NOVI_CHEAR_U_6CHEAR 2
SA291235NOVI_CHEAR_U_5CHEAR 2
SA291236NOVI_CHEAR_U_14CHEAR 3
SA291237NOVI_CHEAR_U_13CHEAR 3
SA291238NOVI_CHEAR_U_10CHEAR 3
SA291239NOVI_CHEAR_U_9CHEAR 3
SA291240NOVI_CHEAR_U_12CHEAR 3
SA291241NOVI_CHEAR_U_11CHEAR 3
SA291242NOVI_HHEAR_U1_4HHEAR U1 1
SA291243NOVI_HHEAR_U1_2HHEAR U1 1
SA291244NOVI_HHEAR_U1_3HHEAR U1 1
SA291245NOVI_HHEAR_U1_1HHEAR U1 1
SA291246NOVI_HHEAR_U1_8HHEAR U1 2
SA291247NOVI_HHEAR_U1_7HHEAR U1 2
SA291248NOVI_HHEAR_U1_6HHEAR U1 2
SA291249NOVI_HHEAR_U1_5HHEAR U1 2
SA291250NOVI_HHEAR_U1_14HHEAR U1 3
SA291251NOVI_HHEAR_U1_13HHEAR U1 3
SA291252NOVI_HHEAR_U1_12HHEAR U1 3
SA291253NOVI_HHEAR_U1_9HHEAR U1 3
SA291254NOVI_HHEAR_U1_10HHEAR U1 3
SA291255NOVI_HHEAR_U1_11HHEAR U1 3
SA291256NOVI_HHEAR_U2_4HHEAR U2 1
SA291257NOVI_HHEAR_U2_1HHEAR U2 1
SA291258NOVI_HHEAR_U2_2HHEAR U2 1
SA291259NOVI_HHEAR_U2_3HHEAR U2 1
SA291260NOVI_HHEAR_U2_8HHEAR U2 2
SA291261NOVI_HHEAR_U2_7HHEAR U2 2
SA291262NOVI_HHEAR_U2_5HHEAR U2 2
SA291263NOVI_HHEAR_U2_6HHEAR U2 2
SA291264NOVI_HHEAR_U2_12HHEAR U2 3
SA291265NOVI_HHEAR_U2_13HHEAR U2 3
SA291266NOVI_HHEAR_U2_11HHEAR U2 3
SA291267NOVI_HHEAR_U2_10HHEAR U2 3
SA291268NOVI_HHEAR_U2_9HHEAR U2 3
SA291269NOVI_NIST_3672_3NIST 1
SA291270NOVI_NIST_3672_2NIST 1
SA291271NOVI_NIST_3672_1NIST 1
SA291272NOVI_NIST_3672_6NIST 2
SA291273NOVI_NIST_3672_4NIST 2
SA291274NOVI_NIST_3672_5NIST 2
SA291275NOVI_NIST_3672_9NIST 3
SA291276NOVI_NIST_3672_7NIST 3
SA291277NOVI_NIST_3672_8NIST 3
SA291278NOVI_SP_7Study pool 1
SA291279NOVI_SP_8Study pool 1
SA291280NOVI_SP_6Study pool 1
SA291281NOVI_SP_5Study pool 1
SA291282NOVI_SP_1Study pool 1
SA291283NOVI_SP_3Study pool 1
SA291284NOVI_SP_2Study pool 1
SA291285NOVI_SP_4Study pool 1
SA291286NOVI_SP_15Study pool 2
SA291287NOVI_SP_16Study pool 2
SA291288NOVI_SP_14Study pool 2
SA291289NOVI_SP_10Study pool 2
SA291290NOVI_SP_13Study pool 2
SA291291NOVI_SP_11Study pool 2
SA291292NOVI_SP_9Study pool 2
SA291293NOVI_SP_12Study pool 2
SA291294NOVI_SP_24Study pool 3
SA291295NOVI_SP_25Study pool 3
SA291296NOVI_SP_27Study pool 3
SA291297NOVI_SP_23Study pool 3
SA291298NOVI_SP_26Study pool 3
SA291299NOVI_SP_22Study pool 3
SA291300NOVI_SP_17Study pool 3
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Collection:

Collection ID:CO002862
Collection Summary:N/A
Sample Type:Urine
Storage Conditions:-80℃

Treatment:

Treatment ID:TR002878
Treatment Summary:N/A

Sample Preparation:

Sampleprep ID:SP002875
Sampleprep Summary:Study samples were shipped from the Emory University Rollins School of Public Health to the NC HHEAR Hub on dry ice. The NC HHEAR Hub thawed and transferred 50 µL of the study samples to a new set of tubes and used them for the analysis. An additional 10 µL was taken from the original study sample and transferred to another tube to make the total study pool for this project, and then distributed with 50 µL per aliquot, used as quality control study pools (QC study pools) throughout the whole analysis. All sample aliquots (50 µL each) and QC study pools (50 µL each) were stored at -80° C until the day of sample preparation. HHEAR Urine Pool 1 (50 µL each), HHEAR Urine Pool 2 (50 µL each), CHEAR reference urine (50 µL each) and NIST urine (SRM 3672) reference material (50 µL each) were provided by the NC HHEAR Hub. LC-MS grade water (50 µL) was used as blanks. All samples were thawed at 4°C overnight before the preparation. Samples, including study samples, study pool samples, HHEAR reference urine, CHEAR reference urine, NIST reference urine, and blanks were mixed with 400 µL methanol containing 500 ng/mL tryptophan-d5 as internal standard and vortexed by a multiple tube vortex mixer for 2 min at 5000 rpm at room temperature. All samples were centrifuged at 16,000 rcf for 10 min at 4°C. The supernatant (350 µL) was transferred into a pre-labeled 2.0 mL Lo-bind Eppendorf tube, dried by a SpeedVac overnight, and stored at -80° C. For immediate analysis, 100 µL of water-methanol solution (95:5, v/v) was used to reconstitute the dried extracts. Samples were thoroughly mixed on a multiple tube vortex mixer for 10 min at 5000 rpm at room temperature and then centrifuged at 4°C for 10 min at 16,000 rcf. The supernatant was transferred to pre-labeled autosampler vials for data acquisition by LC-MS.
Processing Storage Conditions:4℃
Extraction Method:Vortex with methanol containing 500ng/ml tryptophan-d5 as internal standard
Extract Storage:-80℃
Sample Resuspension:Water-Methanol (95:5, v/v)
Sample Spiking:Tryptophan-d5 stock solution at 500 ng/mL

Combined analysis:

Analysis ID AN004491
Analysis type MS
Chromatography type Reversed phase
Chromatography system Thermo Vanquish
Column Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive HF-X Orbitrap
Ion Mode POSITIVE
Units Normalized intensity

Chromatography:

Chromatography ID:CH003376
Chromatography Summary:Reversed phase
Instrument Name:Thermo Vanquish
Column Name:Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
Column Pressure:6000-10000 psi
Column Temperature:50 ℃
Flow Gradient:Time(min) Flow Rate %A %B Curve 1. 0 0.4 99.0 1.0 5 2. 1.00 0.4 99.0 1.0 5 3. 16.00 0.4 1.0 99.0 5 4. 19.00 0.4 1.0 99.0 5 5. 19.50 0.4 99.0 1.0 5 6. 22.00 0.4 99.0 1.0 5
Flow Rate:0.4 mL/min
Injection Temperature:8 ℃
Internal Standard:Tryptophan-d5
Solvent A:100% water; 0.1% formic acid
Solvent B:100% methanol; 0.1% formic acid
Analytical Time:22 min
Weak Wash Solvent Name:10% methanol/90% water; 0.1% formic acid
Strong Wash Solvent Name:75% 2-Propanol/25% Water; 0.1% formic acid
Chromatography Type:Reversed phase

MS:

MS ID:MS004238
Analysis ID:AN004491
Instrument Name:Thermo Q Exactive HF-X Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Instrument: Thermo Q Exactive HFx Software: Xcalibur 4.1.31.9 for data acquisition; Progenesis QI 2.4 for data preprocessing
Ion Mode:POSITIVE
Capillary Temperature:320 °C
Capillary Voltage:3.5 KV
Collision Energy:20-45, ramp
Collision Gas:N2
Fragmentation Method:CID
Ion Spray Voltage:3.5kV
Ionization:ES+
Mass Accuracy:5 ppm
Dataformat:Profile
Desolvation Gas Flow:55
Desolvation Temperature:400 ℃
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