This module supports functional analysis of untargeted metabolomics data generated from high-resolution mass spectrometry (HRMS) such as LC-HRMS or FI-HRMS. The basic assumption is that approximate annotation at individual compound level can enable more accurate functional analysis at pathway level. This is because pathway-level changes rely on "collective behavior" which is more tolerant to random errors in compound annotation (Li et al.). To use this module, feature or peak names must be their numeric mass (m/z) values in order to be used for annotation.

1) Upload your data

help
(editable)
help
help

2) Try our example data

IBD
Three columns (m.z, p.value, t.score)
Example peak list data created from a subset of pediatric IBD stool samples (12 IBD patients and 12 healthy controls) obtained from the Integrative Human Microbiome Project Consortium (iHMP). This data was collected using a Q-Exactive Plus Orbitrap MS (negative ion mode).
ImmuneCell
One column (m.z ranked by p.value)
Example ordered peak list data obtained from untargeted metabolomics of human monocyte-derived dendritic cells under stimulation by a strain of yellow fever virus (YF17D, vaccine strain), collected using an Orbitrap LC-MS (positive ion mode).
Macrophages
Four columns (m.z, p.value, t.score, mode)
Example peak list from mice alveolar macrophages in lungs, with or without mTOR knock-out (details). This data was obtained using an Orbitrap LC-MS (C18 negative ion mode and HILIC positive ion mode)
IBD 2
Four columns (m.z, p.value, t.score, rt)
Example peak list data created from a subset of pediatric IBD stool samples (12 IBD patients and 12 healthy controls) obtained from the Integrative Human Microbiome Project Consortium (iHMP). This data was collected using a Q-Exactive Plus Orbitrap MS (negative ion mode).
ImmuneCell Table
Peak intensity table
Example peak intensity table from KO experiment of dendritic cells and epithelial cells treated in DSS.
R Command History
. No commands found
Administrator Entry:
Your project updates can be lost!

If you did not save the project, please do so.

Do you want to save your work first?

Processing ....
Your session is about to expire!

You will be logged off in seconds.

Do you want to continue your session?