Charge-remote fragmentation in a hybrid (BEqQ) mass spectrometer to determine isotopic purity in selectively polydeuterated surfactants

Tuinrnan, Albert A.; Cook, Kelsey D.; Magid, L. J.

doi:10.1016/1044-0305(90)80009-c

Cited by 20 publications

(22 citation statements)

References 19 publications

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“…However, we only observed an ion at m/z 304, which we attributed to the cetylpyridinium ion, reflecting loss of the chloride ion. This finding is in agreement with fast‐atom bombardment (FAB) mass spectrometric studies, e.g., by Tuinman et al ,14 in which the spectra of similar cationic surfactants were dominated by ions due to the pre‐formed cations. In order to confirm our mass assignment, we prepared separate MALDI samples using commercial standards of cetylpyridium bromide and cetylpyridinium chloride.…”

Section: Resultssupporting

confidence: 92%

Detection of cationic surfactants in oral rinses and a disinfectant formulation using matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry

Morrow

Kassim

Ayorinde

2001

Rapid Comm Mass Spectrometry

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Three commercial oral rinses and one commercial disinfectant formulation were analyzed for the presence of cationic surfactants using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS) in the positive ion mode. The product labels on these formulations indicate the presence of cetylpyridinium chloride, tetraalkylammonium or trialkylbenzylammonium chlorides. The resulting MALDI-TOF mass spectra only showed cetylpyridinium, tetraalkylammonium, and trialkylbenzylammonium ions, apparently due to the dissociation of the salts in the ion source. We confirmed the presence of cetylpyridinium salt in the three oral formulations, whereas the disinfectant formulation consisted of a complex mixture of the salts of dioctyldimethylammonium, didecyldimethylammonium, benzylmyristyldimethylammonium, decyloctyldimethylammonium, benzyldecyldimethylammonium, and benzylcetyldimethylammonium. This work demonstrates again the potential for using meso-tetrakis(pentafluorophenyl)porphyrin as a matrix in the MALDI-TOFMS analysis of low molecular weight compounds. This study also demonstrates that the mode of ionization of quaternary ammonium compounds (cationic surfactant salts) under MALDI conditions is by dissociation, leading to the detection of only the positively charged moieties.

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Section: Resultssupporting

confidence: 92%

Detection of cationic surfactants in oral rinses and a disinfectant formulation using matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry

Morrow

Kassim

Ayorinde

2001

Rapid Comm Mass Spectrometry

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“…However, the work of Tuinman et ul. 23.24 on a closely related precursor ion, uiz (C14H2Y)N+(CH3)3r raised questions as to whether or not the fragment ions observed in the present work truly were CRF reaction products. By studying the specifically deuterated ion (C14D2Y)N+(CH3)3, these workers showed that two mechanisms contribute to CID reactions leading to expulsion of the elements of CnHZn+,, formerly regarded as characteristic of CRF reactions.…”

Section: Charge-remote Fragmentations Of Long-chain Tetraalkylammoniumentioning

confidence: 84%

Ion dissociation reactions induced in a high‐pressure quadrupole collision cell

Whalen

Grossert

Boyd

1995

Rapid Comm Mass Spectrometry

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This work concerns a new high-pressure quadrupole collision cell, designed for triple-quadrupole mass spectrometers. This new collision cell operates at pressures up to 10 mTorr, an order of magnitude higher than conventional cells of this type. Previous investigations have concentrated upon the significant increases in transmission efficiency and in resolving power for fragment ions which result from the use of this new design. The present work reports an investigation into the nature of the dissociation reactions which can be induced by collisions in this high-pressure cell. Charge-site-remote fragmentations of a simple precursor ion were chosen as a test case, and were found to be observable at laboratory collision energies lower by a factor of 4-5 than those found previously to be necessary when using conventional low-pressure quadrupole collision cells. It was also shown that the charge-site-remote reactions were accompanied by the mixed-site-fragmentation reactions described by Tuinman and Cook (J. Am. Soc. Mass Spectrom. Vol. 1, p. 85 (1989)). Ionization of collision gas was observed in the case of xenon. Efforts to observe charge-site-remote fragmentations of peptide ions were marginally successful. Highly basic peptides, which have been problematic for sequencing by low-energy tandem mass spectrometry, did not yield useful fragment-ion spectra in the new cell. The fragmentation behaviour of protonated Leu-enkephalin, for which fragmentation pathways have been thoroughly studied previously, suggested that the observed spectra reflected integration of the fragmentation kinetics over a considerably longer time, thus involving many more reaction steps. These combined observations are considered in terms of a qualitative model based on a rapid decrease of ion kinetic energy during passage through the cell, with much longer residence times than for conventional quadrupole cells.

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“…6 D, exhibits a peak pattern with a series of intense ions spaced 14 u apart, as reported previously. [18][19][20][21] CID of the [M+H] + cation resulted in a product ion at m/z 267 that was assumed to be derived from the cleavage of an amide bond (Fig. 6 B).…”

Section: Cid Of Amines With Unsaturated Hydrocarbon Chains N-oleoyletmentioning

confidence: 99%

Analyses of Anandamide and Endocannabinoid-like Compounds Using Collision-induced Dissociation in Fast Atom Bombardment Ionization-Mass Spectrometry and Gas Chromatography/Chemical Ionization-Mass Spectrometry

et al. 2003

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Charge-remote fragmentation in a hybrid (BEqQ) mass spectrometer to determine isotopic purity in selectively polydeuterated surfactants

Cited by 20 publications

References 19 publications

Detection of cationic surfactants in oral rinses and a disinfectant formulation using matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry

Detection of cationic surfactants in oral rinses and a disinfectant formulation using matrix‐assisted laser desorption/ionization time‐of‐flight mass spectrometry

Ion dissociation reactions induced in a high‐pressure quadrupole collision cell

Analyses of Anandamide and Endocannabinoid-like Compounds Using Collision-induced Dissociation in Fast Atom Bombardment Ionization-Mass Spectrometry and Gas Chromatography/Chemical Ionization-Mass Spectrometry

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