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.
| Study ID | ST002103 |
| Study Title | NC HHEAR Hub Pilot Study within the HHEAR Consortium |
| Study Type | C18 Reversed-Phase Broad Spectrum Metabolomics |
| Study Summary | This 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 |
| Department | Nutrition Research Institute |
| Laboratory | Untargeted Resource Laboratory for the NC HHEAR Hub |
| Last Name | Li |
| First Name | Yuan |
| Address | Nutrition Research Institute, UNC-CH, 500 Laureate Way, Kannapolis, NC 28081 |
| yuanyli4@unc.edu | |
| Phone | 984-377-0693 |
| Submit Date | 2022-02-07 |
| Raw Data Available | Yes |
| Analysis Type Detail | LC-MS |
| Release Date | 2023-02-21 |
| Release Version | 1 |
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Sample Preparation:
| Sampleprep ID: | SP002194 |
| Sampleprep Summary: | NC HHEAR hub received 52 aliquots of de-identified urine samples (100 µl each), a 1.5-ml study pool sample, a 0.5-ml HHEAR-1 (age 18-30), a 0.5-ml HHEAR-2 (age 50+), a 0.5-ml NIST-3672, and a 0.5-ml NIST-3673. Each urine sample (50 uL) including study samples, study pools, HHEAR-1, HHEAR-2, NIST-3672, NIST-3673 was transferred into a pre-labeled 2.0 ml Lo-Bind Eppendorf tube and mixed with 400 µL of methanol containing 500 ng/ml tryptophan-d5. Blanks were made by using 50 µL of LC-MS grade water and processed in the same way as the urine samples. All samples were vortexed for 2 min at 5000 rpm at room temperature. After incubation at 4 °C for 10 min and then centrifuging at 4 °C and 16,000 rcf for 10 min, 350 µL of the supernatant was dried under Speed Vac overnight. Right before LC-MS data acquisition, dried samples were reconstituted using 100 µL water-methanol (95:5, v/v). The reconstituted samples were vortexed at 5000 rpm for 10 min and centrifuged at 4 °C at 16,000 rcf for 10 min. Supernatants were transferred to autosampler vials and were analyzed by injecting 5 µL onto the LC-MS column for untargeted analysis. Metabolomics data were acquired on a Vanquish UHPLC system coupled to a Q Exactive™ HF-X Hybrid Quadrupole-Orbitrap Mass Spectrometer (Thermo Fisher Scientific, San Jose, CA). Metabolites were separated via an HSS T3 C18 column (2.1 × 100 mm, 1.7 µm, Waters Corporation) at 50 °C with binary mobile phase of water (A) and methanol (B), each containing 0.1% formic acid (v/v). The UHPLC linear gradient started from 2% B, and increased to 100% B in 16 min, then held for 4 min, with the flow rate at 400 µL/min. Untargeted data was acquired from 70 to 1050 m/z in positive and negative mode using data-dependent acquisition mode. |
| Processing Storage Conditions: | On ice |
| Extract Storage: | Described in summary |
