Summary of project PR001744
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 PR001744. The data can be accessed directly via it's Project DOI: 10.21228/M88Q6W This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Project ID: | PR001744 |
| Project DOI: | doi: 10.21228/M88Q6W |
| Project Title: | MetaboAnalystR 4.0: towards a unified LC-MS workflow for global metabolomics |
| Project Type: | MS/MS qualification and MS quantification study |
| Project Summary: | Here we introduce MetaboAnalystR 4.0, an open-source R package that have been developed to provide a unified workflow to help address three key bioinformatics bottlenecks facing LC-MS-based global metabolomics, including: 1) auto-optimized LC-MS spectral processing for feature detection and quantification; 2) streamlined MS/MS spectral deconvolution and compound annotation coupled with comprehensive spectral reference databases (~1.5 million MS2 spectra); 3) a sensitive functional interpretation module for functional analysis directly from LC-MS and MS/MS results. During our validation case studies in comparison with other well-established approaches, MetaboAnalystR 4.0 has identified > 10% more high-quality MS and MS/MS features; it has also significantly increased true positive rate of identification (> 40%) without increasing false positives using both data-dependent acquisition (DDA) and data-independent acquisition (DIA) datasets; finally, pathway enrichment analysis integrating LC-MS and MS/MS spectra from COVID-19 datasets has produced results that are better aligned with literature report. |
| Institute: | McGill University |
| Department: | Faculty of Agricultural and Environmental Sciences |
| Laboratory: | Xia Lab, Institute of Parasitology |
| Last Name: | Xia |
| First Name: | Jeff |
| Address: | Macdonald Campus, McGill University 21,111 Lakeshore Road |
| Email: | jeff.xia@mcgill.ca |
| Phone: | 5146605018 |
| Funding Source: | NIH, TIMIC, Genome Canada, Génome Québec |
| Contributors: | Zhiqiang Pang, Lei Xu, Charles Viau |
Summary of all studies in project PR001744
| Study ID | Study Title | Species | Institute | Analysis(* : Contains Untargted data) | Release Date | Version | Samples | Download(* : Contains raw data) |
|---|---|---|---|---|---|---|---|---|
| ST002796 | Comparison of different blood samples (whole blood, serum and plasma) | Homo sapiens | McGill University | MS* | 2024-01-01 | 1 | 274 | Uploaded data (10.8G)* |
| ST002798 | Evaluation of quantitative performance with serial dilutions | Homo sapiens | McGill University | MS* | 2024-01-01 | 1 | 220 | Uploaded data (7.9G)* |
