PMID- 23939967
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20140221
LR  - 20130813
IS  - 1097-0231 (Electronic)
IS  - 0951-4198 (Linking)
VI  - 27
IP  - 17
DP  - 2013 Sep 15
TI  - Clustering of simple aminosulfonic acids--electrospray ionization mass 
      spectrometric study.
PG  - 1993-8
LID - 10.1002/rcm.6655 [doi]
AB  - RATIONALE: Aminosulfonic acids are structurally related to amino acids as 
      bifunctional compounds. Some of them like taurine and homotaurine play important 
      roles in biology. Although there is a vast literature devoted to the electrospray 
      ionization mass spectrometric (ESI-MS) study of amino acid aggregation, no such 
      study has been performed so far for aminosulfonic acids. METHODS: A gas-phase 
      clustering study was performed for aminomethanesulfonic acid (AMS), taurine 
      (Tau), homotaurine (HT), and cysteic acid (CA) from water and methanol/water 
      solutions, using a Bruker TOF-Q spectrometer equipped with an ESI source, in the 
      negative-ion mode. For selected anionic clusters the tandem mass (MS/MS) spectra 
      were recorded and the breakdown curves were obtained. The cluster formation 
      abilities (ACS parameter) of the studied molecules were calculated. RESULTS: Both 
      singly and doubly charged clusters were formed when the acids were electrosprayed 
      from water solutions; they may be described as [(H3N-R-SO3)n-zH](z-), where z = 1 
      or 2. The largest identified clusters are built of 20, 22, 20 and 4 monomers of 
      AMS, Tau, HT and CA, respectively. The doubly negatively charged clusters were 
      observed for n >/=9, 12, 14 in the case of AMS, Tau and HT. AMS pentamers and Tau, 
      HT tetramers and hexamers show higher stabilities than the other clusters. 
      CONCLUSIONS: The results indicate that aminosulfonic acids form large stable 
      clusters, similarly to aminocarboxylic acids. The cluster formation ability 
      decreases with an increase in CH2 chain length within the series of the studied 
      compounds. The large singly and doubly charged aggregates are formed under the 
      conditions of the experiment, possibly in the droplets. Taurine dissolved in 
      water seems to be a good calibrant for electrospray instruments in negative ion 
      mode.
CI  - Copyright (c) 2013 John Wiley & Sons, Ltd.
FAU - Haupa, Karolina
AU  - Haupa K
AD  - Faculty of Chemistry, University of Wroclaw, Joliot Curie 14, 50-383 Wroclaw, 
      Poland.
FAU - Szewczuk, Zbigniew
AU  - Szewczuk Z
FAU - Mielke, Zofia
AU  - Mielke Z
LA  - eng
PT  - Journal Article
PL  - England
TA  - Rapid Commun Mass Spectrom
JT  - Rapid communications in mass spectrometry : RCM
JID - 8802365
EDAT- 2013/08/14 06:00
MHDA- 2013/08/14 06:01
CRDT- 2013/08/14 06:00
PHST- 2013/04/10 00:00 [received]
PHST- 2013/06/11 00:00 [revised]
PHST- 2013/06/16 00:00 [accepted]
PHST- 2013/08/14 06:00 [entrez]
PHST- 2013/08/14 06:00 [pubmed]
PHST- 2013/08/14 06:01 [medline]
AID - 10.1002/rcm.6655 [doi]
PST - ppublish
SO  - Rapid Commun Mass Spectrom. 2013 Sep 15;27(17):1993-8. doi: 10.1002/rcm.6655.