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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Treatment:
| Treatment ID: | TR003638 |
| Treatment Summary: | Urine samples were collected from non smokers and smokers. Urine samples were collected from patients over a 24-hour period. Sample were snap frozen after collection. No additional sample treatment was applied. |
