Development of an MS/HRMS library for rapid quantitation, confirmation and dereplication of marine toxins using all-ion high resolution mass spectrometry (Q-TOF)

摘要

The All-ion MS/MS method developed provides an integrated approach using HPLC-Qtof providing both accurate full scan HRMS and MS/HRMS data. Validation experiments demonstrated the usefulness of UHPLC-HRMS as a fully quantitative method for known analogues (linearity, matrix effect, LOD &LOQ) using All- ion MS/MS with high energy (CE= 30 and 50V). We developed an in-house database and spectral library for marine biotoxins containing over 500 compounds with spectra for all regulated toxins in the EU and US. We successfully used dereplication with the MFE-algorithm and database screening identified all known toxins as well as non-characterized toxins present in a freeze-dried mussel tissue reference material.