Quantitative Comparison of Tandem Mass Spectra Obtained on Various Instruments

Fanni Laura Bazsó, Oliver Ozohanics, G. Schlosser, K. Ludányi, K. Vékey, L. Drahos

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

The similarity between two tandem mass spectra, which were measured on different instruments, was compared quantitatively using the similarity index (SI), defined as the dot product of the square root of peak intensities in the respective spectra. This function was found to be useful for comparing energy-dependent tandem mass spectra obtained on various instruments. Spectral comparisons show the similarity index in a 2D “heat map”, indicating which collision energy combinations result in similar spectra, and how good this agreement is. The results and methodology can be used in the pharma industry to design experiments and equipment well suited for good reproducibility. We suggest that to get good long-term reproducibility, it is best to adjust the collision energy to yield a spectrum very similar to a reference spectrum. It is likely to yield better results than using the same tuning file, which, for example, does not take into account that contamination of the ion source due to extended use may influence instrument tuning. The methodology may be used to characterize energy dependence on various instrument types, to optimize instrumentation, and to study the influence or correlation between various experimental parameters. [Figure not available: see fulltext.]

Original languageEnglish
Pages (from-to)1357-1365
Number of pages9
JournalJournal of the American Society for Mass Spectrometry
Volume27
Issue number8
DOIs
Publication statusPublished - Aug 1 2016

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Equipment Design
Industry
Hot Temperature
Ions
Tuning
Ion sources
Contamination
Experiments

Keywords

  • Instrument comparison
  • Similarity
  • Tandem mass spectrometry

ASJC Scopus subject areas

  • Structural Biology
  • Spectroscopy

Cite this

Quantitative Comparison of Tandem Mass Spectra Obtained on Various Instruments. / Bazsó, Fanni Laura; Ozohanics, Oliver; Schlosser, G.; Ludányi, K.; Vékey, K.; Drahos, L.

In: Journal of the American Society for Mass Spectrometry, Vol. 27, No. 8, 01.08.2016, p. 1357-1365.

Research output: Contribution to journalArticle

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