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XCMS Online: A Web-Based Platform to Process Untargeted Metabolomic Data

Open access
Tautenhahn, Ralf, Patti, Gary J., Rinehart, Duane, Siuzdak, Gary·2012·Analytical Chemistry

Abstract

Recently, interest in untargeted metabolomics has become prevalent in the general scientific community among an increasing number of investigators. The majority of these investigators, however, do not have the bioinformatic expertise that has been required to process metabolomic data by using command-line driven software programs. Here we introduce a novel platform to process untargeted metabolomic data that uses an intuitive graphical interface and does not require installation or technical expertise. This platform, called XCMS Online, is a web-based version of the widely used XCMS software that allows users to easily upload and process liquid chromatography/mass spectrometry data with only a few mouse clicks. XCMS Online provides a solution for the complete untargeted metabolomic workflow including feature detection, retention time correction, alignment, annotation, statistical analysis, and data visualization. Results can be browsed online in an interactive, customizable table showing statistics, chromatograms, and putative METLIN identities for each metabolite. Additionally, all results and images can be downloaded as zip files for offline analysis and publication. XCMS Online is available at https://xcmsonline.scripps.edu.

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Metadata

Authors
Tautenhahn, R., Patti, G. J., Rinehart, D., & Siuzdak, G.
Venue
Analytical Chemistry
Published
2012-06-05
Volume
84
Issue
11
Pages
5035-5039
ISSN
  • 0003-2700 (ISSN-L)
  • 1520-6882
OpenAlex
W2080046774
Cited by
1,319
References
1
FWCI
23.00
Type
journal article
Language
en
Open access
green

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