Accelerating Cross-Modality Reaction Optimization via Robotically Automated Vacuum Enabled Direct-inject Mass Spectrometry (RAVE MS)

20 March 2025, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

In this report, we detail direct inject mass spectrometry via a Robotically Automated Vacuum Enabled (RAVE) interface that utilizes commercially available capillary electrophoresis hardware to directly inject samples for mass spectrometry (MS) at a sampling rate of approximately 12s per sample. This system enables direct electrospray ionization from standard 48, 96 or 384-well plates with minimal investment in hardware and software, utilizing a custom developed web app interface that provides autosampler control and analysis of raw extracted data from the mass spectrometer. We show a high level of correlation among results obtained with RAVE coupled MS, acoustic ejection (Echo) MS, and liquid chromatography coupled MS (LCMS) on 384 biocatalytically driven reactions. We additionally utilize RAVE MS on an array of 96 chemocatalytic reaction conditions to show that, while direct MS analysis can be challenging in complex mixtures, simple dilution followed by direct injection is often sufficient for analysis. With these results, we demonstrate the potential for RAVE MS to be utilized as a low-cost, low barrier to entry tool for rapid direct-inject MS analysis.

Keywords

Automation
High-Throughput
Direct Inject Mass Spectrometry
Biocatalysis
Chemocatalysis

Supplementary materials

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Description
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Title
Supplementary Materials
Description
This is the supplementary information for Accelerating Cross-Modality Reaction Optimization via Robotically Automated Vacuum Enabled Direct-inject Mass Spectrometry (RAVE-MS)
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Protocol for RAVE Operation
Description
Detailed step-by-step guide for RAVE setup
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