The analysis of food and environmental samples for contaminants by LC-MS has become a quick and cost-effective routine application when run in a targeted fashion, but this method disregards events or circumstances not taken into account beforehand. Run in a non-targeted fashion, this method is known to be laborious and time-consuming, making it everything but a routine application. New-generation software now links in quantitative and (unknown) screening approaches to one smoothly integrated workflow, tying together component detection capabilities of unknown screening workflows with the identification capabilities of targeted screening and quantification software. Here we show how one data set can serve for routine high throughput quantitative analysis and for versatile non-targeted investigations in a highly automated manner.
United States
