TY - JOUR
T1 - XCMS online
T2 - A web-based platform to process untargeted metabolomic data
AU - Tautenhahn, Ralf
AU - Patti, Gary J.
AU - Rinehart, Duane
AU - Siuzdak, Gary
PY - 2012/6/5
Y1 - 2012/6/5
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84861915827&partnerID=8YFLogxK
U2 - 10.1021/ac300698c
DO - 10.1021/ac300698c
M3 - Article
C2 - 22533540
AN - SCOPUS:84861915827
SN - 0003-2700
VL - 84
SP - 5035
EP - 5039
JO - Analytical Chemistry
JF - Analytical Chemistry
IS - 11
ER -