TY - JOUR
T1 - Reactivity of gaseous sodiated ions derived from benzene dicarboxylate salts toward residual water in the collision gas
AU - Chan, Chang Ching
AU - Axe, Frank U.
AU - Bolgar, Mark
AU - Attygalle, Athula B.
PY - 2010/10
Y1 - 2010/10
N2 - The sodium adduct of disodium salts of benzene dicarboxylic acids (m/z 233), when subjected to collision-induced dissociation (CID), undergoes a facile loss of CO2 to produce an ion of m/z 189, which retains all the three sodium atoms of the precursor. The CID spectrum of this unusual m/z 189 ion shows significant peaks at m/z 167, 63 and 85. The enigmatic m/z 167 ion, which appeared to represent a loss of a 22-Da neutral fragment from the precursor ion is in fact a fragment produced by the interaction of them/z 189 ion with traces of water present in the collision gas. The change of them/z 167 peak to 168, when D2Ovaporwas introduced to the collision gas of a Q-ToF instrument, proved that such an intervention of water could occur even in collision cells of tandem-in-spacemass spectrometers. Them/z 189 ion has such high affinity for water; it forms an ion/molecule complex even during the brief residence time of ions in collision cells of triple quadrupole instruments. The complex formed in this way then eliminates elements of NaOH to produce the ion observed at m/z 167. In an ion trap, the relative intensity of the m/z 167 peak increases with longer activation time even at the lowest possible collision energy setting. Similarly, the m/z 145 ion (which represents the sodium adduct of phenelenedisodium, formed by two consecutive losses of CO2 from the m/z 233 ion of meta- and para-isomers) interacts with water to produce a fragment ion at m/z 123 for the sodium adduct of phenylsodium. Other uncommon ions that originate also from water/ion interactions are observed atm/z 85 and 63 for [Na3O]+ and [Na2OH]+, respectively. Tandemmass spectrometric experiments conducted with appropriately deuterium-labeled compounds confirmed that the proton required for the formation of the [Na2OH]+ ion originates from traces of water present in the collision gas and not fromthe ring protons of the aromaticmoiety.
AB - The sodium adduct of disodium salts of benzene dicarboxylic acids (m/z 233), when subjected to collision-induced dissociation (CID), undergoes a facile loss of CO2 to produce an ion of m/z 189, which retains all the three sodium atoms of the precursor. The CID spectrum of this unusual m/z 189 ion shows significant peaks at m/z 167, 63 and 85. The enigmatic m/z 167 ion, which appeared to represent a loss of a 22-Da neutral fragment from the precursor ion is in fact a fragment produced by the interaction of them/z 189 ion with traces of water present in the collision gas. The change of them/z 167 peak to 168, when D2Ovaporwas introduced to the collision gas of a Q-ToF instrument, proved that such an intervention of water could occur even in collision cells of tandem-in-spacemass spectrometers. Them/z 189 ion has such high affinity for water; it forms an ion/molecule complex even during the brief residence time of ions in collision cells of triple quadrupole instruments. The complex formed in this way then eliminates elements of NaOH to produce the ion observed at m/z 167. In an ion trap, the relative intensity of the m/z 167 peak increases with longer activation time even at the lowest possible collision energy setting. Similarly, the m/z 145 ion (which represents the sodium adduct of phenelenedisodium, formed by two consecutive losses of CO2 from the m/z 233 ion of meta- and para-isomers) interacts with water to produce a fragment ion at m/z 123 for the sodium adduct of phenylsodium. Other uncommon ions that originate also from water/ion interactions are observed atm/z 85 and 63 for [Na3O]+ and [Na2OH]+, respectively. Tandemmass spectrometric experiments conducted with appropriately deuterium-labeled compounds confirmed that the proton required for the formation of the [Na2OH]+ ion originates from traces of water present in the collision gas and not fromthe ring protons of the aromaticmoiety.
KW - Collision-induced dissociation
KW - Ion-molecule reactions
KW - Tandem-in-space mass spectrometry
KW - Tandem-in-time mass spectrometry
KW - Water adducts
UR - http://www.scopus.com/inward/record.url?scp=78650845118&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=78650845118&partnerID=8YFLogxK
U2 - 10.1002/jms.1792
DO - 10.1002/jms.1792
M3 - Article
C2 - 20853346
AN - SCOPUS:78650845118
SN - 1076-5174
VL - 45
SP - 1130
EP - 1138
JO - Journal of Mass Spectrometry
JF - Journal of Mass Spectrometry
IS - 10
ER -