Summary of Study ST002103

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 PR001332. The data can be accessed directly via it's Project DOI: 10.21228/M8J980 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 IDST002103
Study TitleNC HHEAR Hub Pilot Study within the HHEAR Consortium
Study TypeC18 Reversed-Phase Broad Spectrum Metabolomics
Study SummaryThis data generation, and subsequent data analysis was conducted by the NC HHEAR Hub as part of a larger HHEAR Consortium Pilot Study. A goal of this study to compare the metabolite identifications and annotations provided by HHEAR Consortium Laboratories as well as non-HHEAR Consortium Laboratories.  Urine samples were provided by the Duke HHEAR Hub.  This included pools of 3 spot urines collected over 48 hours, which were selected based on maximum overlap of collected data on other exposure matrices (targeted PFAS panel (serum), passive air sampling, wristband data). Dr. Yuan Li of the NC HHEAR Hub had primary responsibility for the generation of the untargeted data.
Institute
University of North Carolina at Chapel Hill
DepartmentNutrition Research Institute
LaboratoryUntargeted Resource Laboratory for the NC HHEAR Hub
Last NameLi
First NameYuan
AddressNutrition Research Institute, UNC-CH, 500 Laureate Way, Kannapolis, NC 28081
Emailyuanyli4@unc.edu
Phone984-377-0693
Submit Date2022-02-07
Raw Data AvailableYes
Analysis Type DetailLC-MS
Release Date2023-02-21
Release Version1
Yuan Li Yuan Li
https://dx.doi.org/10.21228/M8J980
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN003437 AN003438
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Thermo Vanquish Thermo Vanquish
Column Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,3um) Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,3um)
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q Exactive HF-X Orbitrap Thermo Q Exactive HF-X Orbitrap
Ion Mode POSITIVE NEGATIVE
Units Voltage Voltage

Chromatography:

Chromatography ID:CH002540
Chromatography Summary:Reverse phase
Instrument Name:Thermo Vanquish
Column Name:Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,3um)
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
Randomization Order:Randomized
Chromatography Type:Reversed phase
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