Quality control tools for LC-MS

A method for identifying and/or verifying at least one analyte peak in a chromatogram of a sample for said analyte from a liquid chromatography mass spectrometer device, said method comprising the following steps:

• a) determining or have determined a chromatogram of the sample by performing at least one chromatography run on the sample by a liquid chromatography device configured to separate the analyte of the sample from other components of the sample for detection, coupled to a mass spectrometry device through an interface that includes an ionization source configured to generate molecular ions and transfer the molecular ions to a gas phase, and by acquiring a plurality of data points for quantifier signal intensities and/or qualifier signal intensities, over time;
• and, in case the sample comprises an internal standard, optionally acquiring a plurality of data points for internal standard quantifier signal intensities and/or internal standard qualifier signal intensities, over time, wherein the values of the quantifier signal intensities, qualifier signal intensities, internal standard quantifier signal intensities, and/or internal standard qualifier signal intensities are single-cycle intensities or values derived therefrom;
• b) determining for at least a fraction of the data points acquired in step a), a ratio type selected from the list consisting of (i) analyte quantifier to analyte qualifier ratios, (ii) internal standard quantifier to internal standard qualifier ratios, (iii) analyte quantifier to internal standard quantifier ratios, and (iv) analyte qualifier to internal standard qualifier ratios;
• c) comparing the ratios determined in step b) to a reference;
• and
• d) identifying and/or verifying at least one analyte peak in a chromatogram based on comparison step c).