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XCMS Online

Lipidomics and Metabolomics Data Processing

Description

XCMS Online (https://xcmsonline.scripps.edu/) is an extensively used cloud-based platform for LC-MS data processing. XCMS Online is derived from the original XCMS technology, which is also still widely used and actively maintained. XCMS Online extends XCMS capabilities to a full suite of tools for metabolomic and lipidomic data analysis. Hosted on high performance and dedicated servers at Scripps Research, XCMS Online offers high processing speeds that is easily accessed by thousands of users. Together, with a freely available R package and a cloud-based data processing, XCMS facilitates data analysis and result sharing across all vendor platforms. XCMS Online is also linked to the METLIN (http://metlin.scripps.edu) database to facilitate lipid and metabolite ID.

Technical Information

Publications:
PMID:16448051,
PMID:22533540
Training datasets:
NA
Source code repository:
NA
Programming languages:
Python,
PHP,
HTML,
CSS,
Javascript,
JQuery
Platforms:
Windows,
Linux,
MacOS
Output formats:
Excel,
PDF,
HTML (incl. images)
Input formats:
mzXML,
mzData,
mzData.XML,
netCDF,
CDF,
.wiff(SCIEX),
.wiff.scan(SCIEX)
Web platform:
Yes
Desktop client:
No
CLI:
No
GUI:
Yes
License:
GPL & MIT (Academic)
Download / Web-service link:

Tasks

4.1) Full MS (HRAM LC-MS)
Other features:
Fold change analysis,
FDR control (q-values),
Principle component analysis plot (PCA),
Heatmaps,
Pathway cloud plot
Batch processing:
Yes
Lipid quantification:
Yes
Lipid identification:
Build-in matching to METLIN DB
Correction for in source fragments:
No
Support multiple adducts:
Yes
Adjustable feature detection:
S/N, mass tolerance
Rt alignment and correction:
Yes
Algorithms:
Filtering and peak identification, matching peaks across samples, filling in missing peak data. Build-in matching to METLIN DB
LC-MS:
Yes
Shotgun MS/MS:
No
5) Lipid quantification from untargeted lipidomics datasets (HRAM MS, DDA, DIA)
6) Analysis and visualization of lipidomics data