Author | Ming Gu

Articles

Enhancing Mass Spectral Formula Determination by Heuristic Rules

May 01, 2010

Special Issues

Article

A new approach to enhancing the performance of formula identification of true unknowns beyond high mass and spectral accuracy was evaluated. Three heuristic rules on upper limits and ratios of elements were tested for their effectiveness in filtering out false positive formulas with both high- and low-resolution mass spectrometry data. The rule on elements' upper limits was found to be the most effective one in eliminating incorrect formulas.

Calibration Stability for Formula Determination on a Single-Quadrupole GC–MS System

May 01, 2008

Special Issues

Article

With electron ionization (EI) used in most gas chromatography–mass spectrometry (GC–MS) applications, the molecular ion typically is broken apart into multiple fragment ions during the EI process.

A Mathematical Approach to Error Reduction in Mass Spectrometry

May 02, 2005

Special Issues

Article

The exploding field of proteomics has highlighted the need to improve the performance of mass spectrometry, both quantitatively and qualitatively. These needs have led instrument manufacturers to produce instruments of increasingly higher quality, but little work has been done to address the fundamental errors inherent in the measurement technique itself. This paper examines these errors and demonstrates that the appropriate mathematical correction of MS data can significantly improve the performance of both low- and high-resolution instruments.