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Sodium adduct formation efficiency in ESI source.

Anneli Kruve1, Karl Kaupmees, Jaanus Liigand

  • 1Institute of Chemistry, University of Tartu, Ravila 14a, Tartu, 50411, Estonia. anneli.kruve@ut.ee

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Summary
This summary is machine-generated.

This study introduces a Sodium Adduct Formation Efficiency (SAFE) scale for electrospray ionization (ESI), revealing that oxygen bases and chelating agents enhance Na(+) adduct formation, making it a reproducible ionization method.

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Area of Science:

  • Analytical Chemistry
  • Mass Spectrometry

Background:

  • Sodium adduct formation in electrospray ionization (ESI) is known but underutilized.
  • Key aspects like ionization efficiency, molecular structure dependence, and fragmentation remain unexplored.

Purpose of the Study:

  • To explore Na(+) adduct formation in ESI for neutral molecules.
  • To develop a quantitative measure for sodium adduct formation efficiency (SAFE).
  • To investigate factors influencing SAFE, including molecular structure and solution conditions.

Main Methods:

  • Development of a Sodium Adduct Formation Efficiency (SAFE) parameter.
  • Creation of a SAFE scale encompassing 19 diverse compounds.
  • Analysis of Na(+) adduct formation dependence on molecular properties (e.g., presence of oxygen, nitrogen, chelating groups).

Main Results:

  • A SAFE scale spanning four orders of magnitude was established.
  • Oxygen bases exhibit higher Na(+) adduct formation efficiency than nitrogen bases due to charge distribution and protonation competition.
  • Chelating ability significantly enhances Na(+) adduct formation efficiency.
  • Na(+) adduct formation is demonstrated as a quantitative and reproducible process for relative measurements.

Conclusions:

  • The developed SAFE scale provides a valuable tool for optimizing ESI-MS analysis using sodium adducts.
  • Understanding factors influencing Na(+) adduct formation allows for tailored analytical strategies.
  • ESI via Na(+) adduct formation is a robust and reproducible ionization technique suitable for wider practical application.