Method of calculating the lower limit of quantitation for mass spectrometry
The method automates the determination of the minimum analyte concentration in mass spectrometry by calculating ions for RSD% and S/N, addressing the time-consuming challenge of establishing the LLOQ for reliable quantification.
WO2025202436A1 Publication Date: 2025-10-02WATERS TECH IRELAND LIMITED IE
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Patent Information
- Application Number
- PCT/EP2025/058523
- Authority / Receiving Office
- WO · WO
- Patent Type
- Applications
- Current Assignee / Owner
- Priority Date
- 2024-03-27
- Filing Date
- 2025-03-27
- Publication Date
- 2025-10-02
AI Technical Summary
Technical Problem
Determining the minimum concentration of an analyte in mass spectrometry that meets the relative standard deviation (RSD%) requirement for reliable quantification is time-consuming and challenging.
Method used
A method to calculate the minimum concentration of an analyte by mass analyzing a known concentration, determining the number of ions required for a pre-selected RSD%, and adjusting operating conditions based on signal-to-noise ratio (S/N) to achieve reliable quantification.
Benefits of technology
Facilitates rapid and accurate determination of the lower limit of quantitation (LLOQ) by automating the process, reducing time and effort in determining the minimum analyte concentration for reliable quantification.
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Abstract
A method of determining a minimum concentration of a first analyte to be mass analysed in a mass spectrometer, comprising: (i) mass analysing a known concentration of said first analyte according to a first mass analysis method using a mass spectrometer so as to obtain an ion signal having a peak; (ii) determining the number of ions detected by the mass spectrometer, during the first mass analysis method, to form said peak, Npeak; (iii) determining the number of ions required to be detected in the ion peak in order for the peak to have a pre-selected relative standard deviation, Nreq; and (iv) determining the minimum concentration of the first analyte that can be mass analysed according to the first mass analysis method whilst achieving the pre-selected relative standard deviation, CRSD, based on the values of: said known concentration, Npeak and Nreq.
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