A fully automated method for accurate mass determination using high‐performance liquid chromatography with a quadrupole/orthogonal acceleration time‐of‐flight mass spectrometer
- 27 January 2004
- journal article
- research article
- Published by Wiley in Rapid Communications in Mass Spectrometry
- Vol. 18 (4) , 511-517
- https://doi.org/10.1002/rcm.1368
Abstract
A generic LC/ESI(+)-oaTOFMS method has been developed for routine automated high accuracy mass determinations of different classes of substances. The system makes use of micro-high-performance liquid chromatography and a hybrid quadrupole/orthogonal acceleration time-of-flight (Q-oaTOF) mass spectrometer. Reproducible and accurate mass measurements were obtained using an electrospray dual sprayer with reserpine as reference compound, introduced into the mass spectrometer alternating with the samples. Experiments were performed to optimize analyte/reference response ratio, statistical algorithm correction setting, and analyte concentration. In these experiments, a clear dependence of the mass measurement error on the analyte/reference response ratio was observed. The dependence of average mass error versus different dead time correction algorithm settings (Np factors) was also explored. In the final automated procedure, verified for a statistically significant set of compounds (∼550) obtained from a medicinal chemistry department, about 70% of the analyzed samples satisfied the acceptance criteria fixed at a maximum error of ±5 ppm (mass range 150–800 Da). Copyright © 2004 John Wiley & Sons, Ltd.Keywords
This publication has 21 references indexed in Scilit:
- Parallel high-throughput accurate mass measurement using a nine-channel multiplexed electrospray liquid chromatography ultraviolet time-of-flight mass spectrometry systemRapid Communications in Mass Spectrometry, 2003
- Investigations into the accuracy and precision obtainable on accurate mass measurements on a quadrupole orthogonal acceleration time-of-flight mass spectrometer using liquid chromatography as sample introductionRapid Communications in Mass Spectrometry, 2003
- An introduction to quadrupole–time‐of‐flight mass spectrometryJournal of Mass Spectrometry, 2001
- High-resolution LC/MS for analysis of minor components in complex mixtures: negative ion ESI for identification of impurities and degradation products of a novel oligosaccharide antibioticJournal of Mass Spectrometry, 2000
- Sample preparation for high throughput accurate mass analysis by matrix-assisted laser desorption/ionization time-of-flight mass spectrometryRapid Communications in Mass Spectrometry, 2000
- Determination of elemental compositions by high resolution mass spectrometry without mass calibrantsRapid Communications in Mass Spectrometry, 1999
- Fully automated exact mass measurements by high-resolution electrospray ionization on a sector instrumentRapid Communications in Mass Spectrometry, 1999
- A preliminary study using fast gradient liquid chromatography coupled to a quadrupole orthogonal time-of-flight mass spectrometerRapid Communications in Mass Spectrometry, 1999
- Accurate mass determinations for the confirmation and identification of organic microcontaminants in surface water using on-line solid-phase extraction liquid chromatography electrospray orthogonal-acceleration time-of-flight mass spectrometryRapid Communications in Mass Spectrometry, 1999
- Application of a new atmospheric pressure ionization source for double focusing sector instrumentsJournal of Chromatography A, 1995