Application of an integrated matrix-assisted laser desorption/ionization time-of-flight, electrospray ionization mass spectrometry and tandem mass spectrometry approach to characterizing complex polyol mixtures

Abstract

Polyols are being used in a wide range of industrial applications including surfactants and precursors for grafted polymers. The characterization of polyols is of significance in correlating compositions and structures with their properties. We illustrate two real world examples where traditional analytical methods including GPC and NMR failed to reveal compositional differences, but the combination of matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF), electrospray ionization mass spectrometry (ESI MS), and MS/MS can produce compositional information required for problem solving. The first example involves failure analysis of four ethylene oxide and propylene oxide (EO/PO) copolymer products. The results from the mass spectrometry analysis unequivocally demonstrate that one of the samples has a small variation in copolymer composition, leading to its abnormal activity. The second example is in the area of deformulation of complex polyol mixtures. Two samples displaying similar properties and activities were found to be two different polyol blends. One of the samples is a more cost-effective product. These examples demonstrate that MALDI, ESI MS, and MS/MS should be seriously considered as an integrated component of an overall polyol characterization program in product failure analysis and deformulation.

Characterization of poly(ethylene glycol) esters using low energy collision-induced dissociation in electrospray ionization mass spectrometry

“…T andem mass spectrometry using either matrixassisted laser desorption ionization (MALDI) or electrospray ionization (ESI) is being developed as a tool for polymer structural characterization [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. We are particularly interested in characterizing functional polyglycols, including poly(ethylene glycol) (PEG), poly(propylene glycol) (PPG), and their copolymers [12][13][14][15][16][17][18][19]. Structural characterization of this type of polymer is important because polyglycols are widely used in industry with their properties strongly depending on not only molecular weights, but also structures and compositions.…”

“…With varying alkyl chain lengths in the fatty acid moiety, a wide range of hydrophilic lipophilic balance (HLB) values can be achieved to suit different applications [14]. They are extensively used as non-ionic bases for cosmetics and pharmaceuticals, non-ionic emulsifiers for vegetable and mineral oils, thickening agents for creams, anti-static agents for plastics, and non-ionic surfactants.…”

“…We are particularly interested in characterizing functional polyglycols, including poly(ethylene glycol) (PEG), poly(propylene glycol) (PPG), and their copolymers [12][13][14][15][16][17][18][19]. Structural characterization of this type of polymer is important because polyglycols are widely used in industry with their properties strongly depending on not only molecular weights, but also structures and compositions.…”

“…They are extensively used as non-ionic bases for cosmetics and pharmaceuticals, non-ionic emulsifiers for vegetable and mineral oils, thickening agents for creams, anti-static agents for plastics, and non-ionic surfactants. Despite active MS study on alcohol ethoxylates [12][13][14][15][16][17][18][19], the literature on ester ethoxylates is scarce [5,16,63].…”

Analysis of Methoxymethylbenzoguanamine Resins Using Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry and Electrospray Ionization Mass Spectrometry

“…Generally, fragmentation for Na ῍ adduct ions is less than for protonated ions. 22), 23) Sodium salts as cationizing agents are suitable for ESI-MS measurements of thermally labile compounds such as amino resins. The e#ect of NaI concentration, varying 0῍0.1 mM, with a constant resin concentration (50 mg/mL) was studied.…”