title: Diagnostic application of the exponentially modified Gaussian model for peak quality and quantitation in high-throughput liquid chromatography-tandem mass spectrometry.
abstract: Typical area calculation for a chromatographic peak assumes the observed signal strength at every measurement is an exactly accurate count of the signal. We compared that approach to one using the exponentially modified Gaussian (EMG) in an automated, clinical production setting. Peak areas in a 47 analyte high throughput clinical production liquid chromatography-tandem mass spectrometry assay were compared across four months of production data to determine trends over the lifespan of a chromatographic column. The EMG parameters were superior to traditional quality control methods for monitoring data reproducibility, accuracy and precision. Because the EMG calculations are performed for every peak in the system, a constant monitor of system health is integrated into the operational workflow. Parameter trends confirmed the need for column replacement, and indicated the opportunity for a reduced schedule of preventive and routine maintenance.
authors.affiliation: Indigo BioSystems, 7820 Innovation Boulevard, Suite 250, Indianapolis, IN 46278, United States. Electronic address: azabell@indigobio.com.
authors.forename: Adam P R
authors.initials: AP
authors.lastname: Zabell
authors.affiliation: Indigo BioSystems, 7820 Innovation Boulevard, Suite 250, Indianapolis, IN 46278, United States.
authors.forename: Tyler
authors.initials: T
authors.lastname: Foxworthy
authors.affiliation: Andor Labs, 4134 South Alston Avenue, Suite 107, Durham, NC 27713, United States.
authors.forename: Kimberly Napoli
authors.initials: KN
authors.lastname: Eaton
authors.affiliation: Indigo BioSystems, 7820 Innovation Boulevard, Suite 250, Indianapolis, IN 46278, United States.
authors.forename: Randall K
authors.initials: RK
authors.lastname: Julian
mesh_terms: D002138:Calibration; D006801:Humans; D057230:Limit of Detection; D015203:Reproducibility of Results; D053719:Tandem Mass Spectrometry / Q000379:methods*
keywords: Column degradation; Exponentially modified Gaussian; High throughput chromatography; Mass spectrometry