Explore the Uncharted Realms of Untargeted Metabolomics

Turning Differential Features into Biological Answers

In untargeted metabolomics, the quest for discovery, the quest to find something that has not been found before is a true struggle of desire and effort versus reward. Potentially the most challenging approach to metabolomics and biomarker discovery lies in the complex interpretation of “differential features” and how to convert lists of such features into metabolite identifications, and contextualize them in biology.

Approaches to untargeted metabolite profiling generally involve statistical treatment of LC-MS data to generate a list of features which can be potentially identified. Often this can involve multiple injections of a sample to ensure information can be collected on features of interest. Ultimately the nature of a metabolomics dataset is such that often no identity can be assigned to a given feature due to it being an artifact or simply that its structure cannot be inferred from the data.

SCIEX solutions for untargeted and discovery metabolomics focus on generating comprehensive datasets containing large amounts of information through unique, modern approaches like SWATH® Acquisition, that can be curated repeatedly using comprehensive statistics, along with tools developed by our collaborators aimed at identifying metabolites of interest through simplification and deconvolution of the data.

Solving the Challenges

Find and Identify New Differential Metabolites

Give yourself and your samples the best chance, without compromising on depth of coverage. Combine comprehensive data acquisition strategies with advanced data processing pipelines to deconvolute and focus the data generated to increase your chances of finding novel biologically-relevant differential metabolites.

Uncover Differential Features with Advanced Statistics

Advanced data processing enabled by XCMSPlus software. A powerful in-house solution to unknown metabolite discovery using the most cited metabolomics software.

Miss Nothing with the Most Comprehensive Approach

SWATH® Acquisition captures MSMS data for every observable species. See how MS DIAL software allows comprehensive data extraction from this novel approach.

Focus on Features of Biological Interest

Over 75% of your feature data can be artifacts. Concentrate on the peaks that matter with SWATH Acquisition and Isotope Ratio Outlier Analysis (IROA).

Technology that Drives New Discoveries

Making breakthrough discoveries requires breakthrough technological innovations. Combining the speed and dynamic range of the TripleTOF® 6600 and the comprehensive quantitative MSMS capability of SWATH acquisition with in-depth data processing solutions gives you the tools needed to make these breakthroughs.

Innovative solutions for discovery metabolomics

In an application where data quality, completeness and interpretation are paramount, discover the most modern approaches to turning differential feature lists into real, tangible metabolite discoveries.

TripleTOF 6600

Fast MS and MSMS acquisition with high dynamic range to push the limits of metabolite discovery.

SWATH Acquisition

The most comprehensive approach to metabolite profiling. Data independent MSMS on everything with no data gaps.


Advanced statistical first-pass data processing. Find the features that matter and initiate informed feature ID.

LibraryView™ Software

Create, manage and curate MSMS libraries. SCIEX Accurate Mass Metabolite Library provides an advanced starting point.