Abstract: Systems and methods for processing data in a two-dimensional chromatograph are disclosed. In some implementations, the data includes information associated with resolved peaks and information associated with an unresolved complex mixture, and such systems and methods may attenuate the information associated with the resolved peaks from the data to substantially isolate the information associated with the unresolved complex mixture.

Abstract: A method for ranking analytes includes the steps of analyzing an experimental analyte in a mass spectrometer. The method includes comparing the experimental analyte to a plurality of candidate analytes in a library hit list, and assigning a cumulative confidence score to each candidate analyte based on the steps of comparing the experimental analyte to the candidate analytes based on a library similarity score, comparing the experimental analyte to the candidate analytes based on of a presence of the most abundant isotope of a molecular ion and its mass, comparing the experimental analyte to the candidate analytes based on an abundance of fragment ions and a mass of the fragment ions, and, in some implementations, comparing the experimental analyte to the candidate analytes based on a retention index value. The method includes ranking the candidate analytes based on the cumulative confidence score of each candidate analyte.