A method for characterizing a sample containing at least one compound is disclosed. Initially, a three-dimensional set of data is generated through sample analysis using time resolved and mass resolved separation techniques. The data comprises at least one signal as a function of a mass variable over a first range of measurement and of a time variable over a second range of measurement. The first range of measurement is divided into at least two mass variable intervals, and for each mass variable interval, an extracted signal is selected which is a function of the time variable. The second range of measurement is divided into at least one time variable interval. A characteristic value is then selected for each time variable interval and each extracted signal to generate a characteristic sample profile, comprising one or more characteristic values as functions of respective time variable intervals and respective mass variable intervals.