Patent ID: 9146213
Filing Date: 2015-09-29
Classification: G01N,G16C,H01J

Abstract:
1. A method for determining a set of related ions comprising: performing a plurality of experiments using one or more samples, wherein each of said plurality of experiments performed using a sample included in said one or more samples further comprises performing a chromatographic separation and mass spectral analysis of said sample; obtaining a plurality of input data sets from said plurality of experiments, wherein each of said plurality of experiments results in obtaining one of said plurality of input data sets based on at least one spectrum obtained from said each experiment; selecting a precursor ion at a single retention time, wherein each of the plurality of input data sets includes information identifying ions and associated retention times for the identified ions including said precursor ion; aligning said plurality of input data sets in accordance with said single retention time of the precursor ion; for each of said plurality of input data sets, determining which product ions of said each input data set are within a retention time window with respect to said single retention time of said precursor ion; and if it is determined that a product ion is within the retention time window with respect to said single retention time of said precursor ion for at least a minimum number of the plurality of input data sets, determining that the product ion is associated with the precursor ion.