Premium
Electrospray ionization ion‐trap multistage mass spectrometric study of sodium cationized aldobiuronic and pseudoaldobiuronic acid derivatives
Author(s) -
Kováčik Vladimír,
Bekešová Slávka,
Tvaroška Igor,
Hirsch Ján,
Chmelík Josef
Publication year - 2004
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.764
Subject(s) - chemistry , derivatization , electrospray ionization , alkali metal , fragmentation (computing) , adduct , mass spectrometry , dimer , electrospray , ionization , mass spectrum , chemical ionization , ion , inorganic chemistry , chromatography , organic chemistry , computer science , operating system
Fragmentation mechanisms of electrospray ionization (ESI) mass spectrometry of aldobiuronic and pseudoaldobiuronic acid derivatives were elucidated by multistage mass spectrometric (MS n , n = 2–5) measurements of selected ions. Characteristic under the conditions of ESI‐MS analysis is the production of alkali metal (Na and K) cationized adducts. The probability the of locations of Na cations in per‐ O ‐methylated compounds was proved by quantum chemical calculations, using the Jaguar program. The most probably position of alkali metal attachment is the carboxy group of the methoxycarbonyl C‐5 group of the uronic acid unit. Characteristic cleavages vary according the kind of O ‐derivatization. In most cases they take place on the acidic part of the dimer and at the interglycosidic oxygen atom. As a result, the criteria for the differentiation of aldobiouronic and pseudoaldobiouronic acids derivatives were elucidated. Copyright © 2004 John Wiley & Sons, Ltd.