High Throughput Non-Targeted Screening Using a Rapid Gradient Microbore UPLC Method and a Library of FDA-Approved Small Molecule Drugs

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Michael McCullagh, Jeff Goshawk, Russell J. Mortishire-Smith
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Application Notes
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Application Notes
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Pharmaceutical Discovery

A library of data obtained for a set of small molecule FDA approved pharmaceuticals (1285 ES+ and 756 ES-) was used to facilitate non-targeted screening of a healthy subject urine sample. The complex biological matrix present in human urine was screened using non-specific retention time tolerances and afforded comparable detection rates to a longer UPLC-IM-MS method. The incorporation of CCS into mass spectrometry libraries and the use in non-targeted screening workflows affords the opportunity to increase specificity of identification, while simultaneously increasing acquisition strategy flexibility. UPLC-IM library versatility has been illustrated, facilitating the potential of high throughput screening which can subsequently improve analysis time efficiency and provide cost savings. This also presents the opportunity to reduce solvent consumption and associated costs.

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