Testing of Mestrelab’s New Software USP-ID for Identification of Complex Mixture via NMR on Horse Serum Samples

Abstract

Compound identification is important in many fields, from medicine to legal. For the United States Pharmacopeia (USP) precise, accurate, and accessible compound identification methods help achieve its goal of uniformity in the creation of medicine. To this end USP worked with Mestrelab to develop USP-ID, a software that conducts quantitative analysis on NMR spectra. The software is still under development and this paper explores its efficacy in relation to metabolomic samples, specifically horse serum samples. While the calculated spectra show promise with average R-squared (R2) values over 0.8, there is more work to be done to elicit confidence in the results and prevent false positives.