Summary of Study ST002808

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 PR001755. The data can be accessed directly via it's Project DOI: 10.21228/M8VH97 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 IDST002808
Study TitleThe ECHO Cohort Exposome: First Steps using HHEAR Analysis – An Opportunity for ALL ECHO Cohorts to Contribute Type A Samples – Untargeted Analysis (DINE Cohorts)
Study TypeProspective Cohort Study
Study SummaryDevelopmental Impact of NICU Exposures (DINE) as part of ECHO has been designed to determine the impact of and interactions among early childhood phthalate, manganese, lead, various other environmental chemicals and stress exposures on neurodevelopmental outcomes in preterm children. 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. DINE is an ECHO cohort which 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
Institute
Zucker School of Medicine at Hofstra / Northwell
DepartmentDepartment of Pediatrics and Department of Occupational Medicine, Epidemiology & Prevention
Last NameStroustrup
First NameAnnemarie
AddressCohen Children’s Medical Center 269-01 76th Avenue NICU, CH346 New Hyde Park, NY 11040
Emailastroustrup@northwell.edu
Phone(718) 470-3440
Submit Date2023-08-01
Total Subjects378
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 Date2024-08-05
Release Version1
Annemarie Stroustrup Annemarie Stroustrup
https://dx.doi.org/10.21228/M8VH97
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR001755
Project DOI:doi: 10.21228/M8VH97
Project Title:The ECHO Cohort Exposome: First Steps using HHEAR Analysis – An Opportunity for ALL ECHO Cohorts to Contribute Type A Samples – Untargeted Analysis (DINE Cohorts)
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 DINE ECHO Cohorts are 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:SU002915
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
SA301047DINE_B_8Blank 1
SA301048DINE_B_1Blank 1
SA301049DINE_B_7Blank 1
SA301050DINE_B_6Blank 1
SA301051DINE_B_2Blank 1
SA301052DINE_B_4Blank 1
SA301053DINE_B_3Blank 1
SA301054DINE_B_5Blank 1
SA301055DINE_B_15Blank 2
SA301056DINE_B_16Blank 2
SA301057DINE_B_13Blank 2
SA301058DINE_B_14Blank 2
SA301059DINE_B_10Blank 2
SA301060DINE_B_11Blank 2
SA301061DINE_B_9Blank 2
SA301062DINE_B_12Blank 2
SA301063DINE_B_23Blank 3
SA301064DINE_B_24Blank 3
SA301065DINE_B_22Blank 3
SA301066DINE_B_21Blank 3
SA301067DINE_B_17Blank 3
SA301068DINE_B_19Blank 3
SA301069DINE_B_18Blank 3
SA301070DINE_B_20Blank 3
SA301071DINE_B_30Blank 4
SA301072DINE_B_31Blank 4
SA301073DINE_B_29Blank 4
SA301074DINE_B_32Blank 4
SA301075DINE_B_26Blank 4
SA301076DINE_B_28Blank 4
SA301077DINE_B_25Blank 4
SA301078DINE_B_27Blank 4
SA301079DINE_B_38Blank 5
SA301080DINE_B_36Blank 5
SA301081DINE_B_37Blank 5
SA301082DINE_B_34Blank 5
SA301083DINE_B_33Blank 5
SA301084DINE_B_35Blank 5
SA301085DINE_CHEAR_U_4CHEAR 1
SA301086DINE_CHEAR_U_2CHEAR 1
SA301087DINE_CHEAR_U_3CHEAR 1
SA301088DINE_CHEAR_U_1CHEAR 1
SA301089DINE_CHEAR_U_7CHEAR 2
SA301090DINE_CHEAR_U_8CHEAR 2
SA301091DINE_CHEAR_U_5CHEAR 2
SA301092DINE_CHEAR_U_6CHEAR 2
SA301093DINE_CHEAR_U_12CHEAR 3
SA301094DINE_CHEAR_U_11CHEAR 3
SA301095DINE_CHEAR_U_9CHEAR 3
SA301096DINE_CHEAR_U_10CHEAR 3
SA301097DINE_CHEAR_U_15CHEAR 4
SA301098DINE_CHEAR_U_16CHEAR 4
SA301099DINE_CHEAR_U_14CHEAR 4
SA301100DINE_CHEAR_U_13CHEAR 4
SA301101DINE_CHEAR_U_19CHEAR 5
SA301102DINE_CHEAR_U_18CHEAR 5
SA301103DINE_CHEAR_U_17CHEAR 5
SA301104DINE_HHEAR_U1_4HHEAR U1 1
SA301105DINE_HHEAR_U1_1HHEAR U1 1
SA301106DINE_HHEAR_U1_3HHEAR U1 1
SA301107DINE_HHEAR_U1_2HHEAR U1 1
SA301108DINE_HHEAR_U1_7HHEAR U1 2
SA301109DINE_HHEAR_U1_8HHEAR U1 2
SA301110DINE_HHEAR_U1_5HHEAR U1 2
SA301111DINE_HHEAR_U1_6HHEAR U1 2
SA301112DINE_HHEAR_U1_12HHEAR U1 3
SA301113DINE_HHEAR_U1_11HHEAR U1 3
SA301114DINE_HHEAR_U1_9HHEAR U1 3
SA301115DINE_HHEAR_U1_10HHEAR U1 3
SA301116DINE_HHEAR_U1_15HHEAR U1 4
SA301117DINE_HHEAR_U1_16HHEAR U1 4
SA301118DINE_HHEAR_U1_13HHEAR U1 4
SA301119DINE_HHEAR_U1_14HHEAR U1 4
SA301120DINE_HHEAR_U1_19HHEAR U1 5
SA301121DINE_HHEAR_U1_18HHEAR U1 5
SA301122DINE_HHEAR_U1_17HHEAR U1 5
SA301123DINE_HHEAR_U2_4HHEAR U2 1
SA301124DINE_HHEAR_U2_1HHEAR U2 1
SA301125DINE_HHEAR_U2_3HHEAR U2 1
SA301126DINE_HHEAR_U2_2HHEAR U2 1
SA301127DINE_HHEAR_U2_8HHEAR U2 2
SA301128DINE_HHEAR_U2_5HHEAR U2 2
SA301129DINE_HHEAR_U2_6HHEAR U2 2
SA301130DINE_HHEAR_U2_7HHEAR U2 2
SA301131DINE_HHEAR_U2_12HHEAR U2 3
SA301132DINE_HHEAR_U2_11HHEAR U2 3
SA301133DINE_HHEAR_U2_9HHEAR U2 3
SA301134DINE_HHEAR_U2_10HHEAR U2 3
SA301135DINE_HHEAR_U2_16HHEAR U2 4
SA301136DINE_HHEAR_U2_14HHEAR U2 4
SA301137DINE_HHEAR_U2_15HHEAR U2 4
SA301138DINE_HHEAR_U2_13HHEAR U2 4
SA301139DINE_HHEAR_U2_19HHEAR U2 5
SA301140DINE_HHEAR_U2_18HHEAR U2 5
SA301141DINE_HHEAR_U2_17HHEAR U2 5
SA301142DINE_NIST_3672_3NIST 1
SA301143DINE_NIST_3672_2NIST 1
SA301144DINE_NIST_3672_1NIST 1
SA301145DINE_NIST_3672_4NIST 2
SA301146DINE_NIST_3672_6NIST 2
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Collection:

Collection ID:CO002908
Collection Summary:N/A
Sample Type:Urine
Storage Conditions:-80℃

Treatment:

Treatment ID:TR002924
Treatment Summary:N/A

Sample Preparation:

Sampleprep ID:SP002921
Sampleprep Summary:Study samples were shipped from the Cohen Children’s Medical Center, NY 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 AN004565
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:CH003430
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:MS004311
Analysis ID:AN004565
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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