Skip to main content
Open Access Publications from the University of California

UC San Diego

UC San Diego Previously Published Works bannerUC San Diego

A web service framework for interactive analysis of metabolomics data

Published Web Location
No data is associated with this publication.

Analyzing mass spectrometry-based metabolomics data presents a major challenge to metabolism researchers, as it requires downloading and processing large data volumes through complex “pipelines”, even in cases where only a single metabolite or peak is of interest. This presents a significant hurdle for data sharing, reanalysis or meta-analysis of existing data sets, whether locally stored or available from public repositories. Here we introduce mzAccess, a software system that provides interactive, online access to primary mass spectrometry data in real time via a web service protocol, circumventing the need for bulk data processing. mzAccess allows querying instrument data for spectra, chromatograms, or two-dimensional MZ-RT areas in either profile or centroid modes through a simple, uniform interface that is independent of vendor or instrument type. Using a cache mechanism, mzAccess achieves response times in the millisecond range for typical LC-MS peaks, enabling real-time browsing of large data sets with hundreds or even thousands of samples. By simplifying access to metabolite data, we hope that this system will help enable data sharing and reanalysis in the metabolomics field.

Many UC-authored scholarly publications are freely available on this site because of the UC's open access policies. Let us know how this access is important for you.

Item not freely available? Link broken?
Report a problem accessing this item