title: Solvation of acylium fragment ions in electrospray ionization quadrupole ion trap and Fourier transform ion cyclotron resonance mass spectrometry.
abstract: In electrospray ionization (ESI) quadrupole ion trap and Fourier transform ion cyclotron resonance mass spectrometry, certain fragment ions (e.g. acylium ions) generated either during the ion transportation process (in the source interface region) or in the ion trap are found to undergo ion--molecule reactions with ESI solvent molecules (water, acetonitrile and aliphatic alcohols) to form adduct species. These unexpected solvated fragment ions severely complicate the interpretation of mass spectrometic data. High-resolution accurate mass measurements are important in establishing the elemental compositions of these adduct species and preventing erroneous data interpretation.
authors: Merck Research Laboratories, P.O. Box 2000, Rahway, New Jersey 07065, USA. ziqiang_guan@merck.com
authors: Z
authors: Z
authors: Guan
authors: J M
authors: JM
authors: Liesch
mesh_terms: D000080:Acetals / Q000737:chemistry*; D001547:Benzaldehydes / Q000737:chemistry; D001565:Benzoates / Q000737:chemistry; D053630:Depsides; D062385:Hydroxybenzoates / Q000737:chemistry; D007477:Ions; D011753:Pyrones / Q000737:chemistry; D012459:Salicylates / Q000737:chemistry; D012995:Solubility; D012997:Solvents / Q000737:chemistry*; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*
chemical_list: C433881:4-hydroxy-6-methyl-3-(5-phenyl-2,4-pentadienoyl)-2-pyrone; D000080:Acetals; D001547:Benzaldehydes; D001565:Benzoates; D053630:Depsides; D062385:Hydroxybenzoates; D007477:Ions; D011753:Pyrones; D012459:Salicylates; D012997:Solvents; C433880:ilicicolin H; C089055:2'-O-methylperlatolic acid; C433879:perlatolinic acid