This document describes the use of mass spectrometry to identify unknown compounds in the pharmaceutical industry. By using a time-of-flight mass spectrometer with accurate mass capabilities, it is possible to determine the structure and composition of unknown compounds more accurately. This is important for the identification of unknown compounds during synthesis and manufacturing processes in the pharmaceutical industry.
The document explains how Time-of-Flight (TOF) mass spectrometry, offering high resolution and accuracy better than 5 ppm, can be used to propose empirical formulas for unknown compounds where quadrupole systems might fail. It details the use of the Agilent LC/MSD TOF coupled with an HPLC system.
A fragmentor setting of 150 volts generally resulted in a strong signal for the molecular ions with minimal fragmentation.
The instrument was scanned from m/z 100 to 1000 for most samples.