Summary of Study ST003500
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 PR002146. The data can be accessed directly via it's Project DOI: 10.21228/M8783Z 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 | ST003500 |
| Study Title | A UHPLC-MS/MS Method for Profiling of Urinary Mercapturic Acids using Positive Ion Mode |
| Study Summary | We report the first application of a UHPLC-MS/MS method using positive ion mode detection for the unbiased characterization of mercapturic acids. The proposed method utilizes a neutral loss monitoring paradigm to monitor for two diagnostic fragmentation pathways for this class of compound. Using a cohort of 20 nonsmokers and 20 smokers, we detected 180 putative mercapturic acid signatures that exhibited a high degree of reproducibility from the complex urine metabolome background. Following a combination of multivariate and univariate statistics, we found 33 putative mercapturic acids associated with smoking status. |
| Institute | University of Minnesota |
| Last Name | Murray |
| First Name | Kevin |
| Address | 2-210 CCRB, 2231 6th St SE, Minneapolis, MN 55455 |
| murra668@umn.edu | |
| Phone | 612-626-2182 |
| Submit Date | 2024-08-01 |
| Num Groups | 2 |
| Total Subjects | 20 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2025-02-03 |
| Release Version | 1 |
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Project:
| Project ID: | PR002146 |
| Project DOI: | doi: 10.21228/M8783Z |
| Project Title: | A UHPLC-MS/MS Method for Profiling of Urinary Mercapturic Acids using Positive Ion Mode |
| Project Summary: | We describe an analytical global profiling approach with machine learning predicted structural annotations for the characterization of mercapturic acids, a detoxification product of chemical environmental exposure. |
| Institute: | University of Minnesota |
| Department: | School of Public Health, Division of Environmental Health Sciences |
| Laboratory: | Balbo Research Group |
| Last Name: | Murray |
| First Name: | Kevin |
| Address: | 2-210 CCRB, 2231 6th St SE, Minneapolis, MN 55455 |
| Email: | murra668@umn.edu |
| Phone: | 612-626-2182 |
| Funding Source: | National Cancer Institute (5R01CA222005-05) |
