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A fully automated method for accurate mass determination using high‐performance liquid chromatography with a quadrupole/orthogonal acceleration time‐of‐flight mass spectrometer
Author(s) -
Colombo Maristella,
Sirtori Federico Riccardi,
Rizzo Vincenzo
Publication year - 2004
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.1368
Subject(s) - chemistry , analyte , mass spectrometry , analytical chemistry (journal) , chromatography , electrospray , acceleration , sprayer , quadrupole mass analyzer , time of flight , quadrupole , time of flight mass spectrometry , ionization , atomic physics , ion , physics , geotechnical engineering , organic chemistry , classical mechanics , engineering
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.