Bruker launches new tools to improve 4D-metabolomics, lipidomics workflows

By Samantha Black, PhD, The Science Advisory Board editor in chief

June 21, 2021 -- Bruker has launched several products to enhance the accuracy of 4D-metabolomics and lipidomics workflows, including a new ion source for its trapped ion mobility spectrometry time-of-flight (timsTOF) Pro 2 platform and new bioinformatics software for small-molecule workflows.

The company has released a new vacuum insulated probe – heated ESI (VIP-HESI) ion source for its timsTOF Pro 2 platform, which enhances the sensitivity of 4D-metabolomics and 4D-lipidomics workflows.

Collision cross section (CCS) values are the main form of measurement for the company's 4D-metabolomics workflows. The Metlin-4D CCS library is the first CCS library to measure CCS values for more than 10,000 reference compounds and can greatly improve the identification and compound confirmation for small molecule research.

TimsTOF Pro 2 with VIP-HESI source.
TimsTOF Pro 2 with VIP-HESI source. Image courtesy of Bruker.

CCS values measured on a timsTOF Pro system will be available in addition to tandem mass spectrometry values, allowing CCS values to be utilized across the timsTOF community to increase confidence by reducing ambiguities, resulting in fewer false positive annotations, according to the firm.

Bruker also introduced CCS-Predict Pro, an optimized algorithm to predict CCS values across small-molecule structures. The software offers large-scale CCS-enabled bioinformatics for unknown compounds. It uses machine learning to narrow down possible structures across small-molecule workflows, including drug metabolite analysis.

Lastly, the company announced that its MetaboScape 2022 software solution for CCS-enabled metabolomics and lipidomics is already available for small-molecule workflows and will be incorporated into its TargetScreener workflow to improve the accuracy in identification of contaminants in food and environmental samples.

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