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.

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Study IDST003500
Study TitleA UHPLC-MS/MS Method for Profiling of Urinary Mercapturic Acids using Positive Ion Mode
Study SummaryWe 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 NameMurray
First NameKevin
Address2-210 CCRB, 2231 6th St SE, Minneapolis, MN 55455
Emailmurra668@umn.edu
Phone612-626-2182
Submit Date2024-08-01
Num Groups2
Total Subjects20
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2025-02-03
Release Version1
Kevin Murray Kevin Murray
https://dx.doi.org/10.21228/M8783Z
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Collection:

Collection ID:CO003622
Collection Summary:Adult participants were recruited as part of an ongoing study conducted at the University of Minnesota. Demographic information including gender, race, age, and tobacco usage was obtained through a questionnaire. Urine samples were collected throughout a 24-hour period and stored at -80 °C until the LC-MS/MS analysis. Urine samples were normalized by total 24-hour collection volume prior to sample preparation. Urinary creatinine levels measured using the RayBio Creatinine Assay kit (RayBiotech, Norcross, GA). This study was approved by the University of Minnesota Institutional Review Board.
Sample Type:Urine
Storage Conditions:-80℃
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