Characterization of polysorbate 85, a nonionic surfactant, by liquid chromatography vs. ion mobility separation coupled with tandem mass spectrometry

Erdem, Nilüfer Solak; Alawani, Nadrah A.; Wesdemiotis, Chrys

doi:10.1016/j.aca.2013.07.026

Cited by 41 publications

(27 citation statements)

References 51 publications

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“…It allows measuring rotationally averaged collision cross section (CCS), which is a unique physicochemical property of a molecule at a particular condition. Using CCS as an orthogonal in addition to retention time and mass‐to‐charge ratio makes the identification process more robust and reproducible across multiple samples and timeframes …”

Section: Introductionmentioning

confidence: 99%

“…Using CCS as an orthogonal in addition to retention time and mass-to-charge ratio makes the identification process more robust and reproducible across multiple samples and timeframes. [25][26][27][28] In this study, we used ESI-IM-MS to detect the CCS values of 18 FAs that comprise saturated FAs, monounsaturated FAs, multiunsaturated FAs, and cis-isomer/trans-isomer. Our study highlights the benefit of using IM in FA analysis and expands upon previous CCS databases for the structural characterization in qualitative applications.…”

Section: Introductionmentioning

confidence: 99%

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Characterizing ion mobility and collision cross section of fatty acids using electrospray ion mobility mass spectrometry

Zhang

Guo

Zhang³

et al. 2015

J. Mass Spectrom.

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This study investigated the ion mobility (IM) and the collision cross section (CCS) of fatty acids (FAs) using electrospray IM MS. The IM analysis of 18 FA ions showed intriguing differences among the saturated FAs, monounsaturated FAs, multi-unsaturated FAs, and cis-isomer/trans-isomer with respect to the aliphatic tail chains. The length of aliphatic tail chain present in the ion structures had a strong influence on the differentiation of drift, while the number of double bond showed a weaker influence. The tiny drift differences between cis-isomer and trans-isomer were also observed. In the CCS measurements, two internal standards were involved in the mobility calibration and accuracy estimation. It insured our empirical CCS values were of high experimental precision (±0.35% or better) and accuracy (±0.25% or better). Moreover, the mass-to-charge ratio (m/z) - mobility plots obtained by ion mobility spectrometry with mass spectrometry analysis of FAs - was used to investigate the structural relationship between the molecules. Each series of FAs sharing a similar structure was aligned in the linear plot. Finally, the developed procedure was applied to the determination of FAs in rat adipose tissues, and it allowed the presence of 13 FAs to be confirmed with their exact masses and CCS values. These studies reveal the direct relationship between the behaviors in IM and the molecular structures and thus may provide further validations to the FA identification process.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Characterizing ion mobility and collision cross section of fatty acids using electrospray ion mobility mass spectrometry

Zhang

Guo

Zhang³

et al. 2015

J. Mass Spectrom.

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“…Although it is a convenient and powerful technique, it can be difficult to identify some oligomers. Ion mobility mass spectrometry (IM‐MS), which has a short analysis time and minimal solvent usage, has also been used to analyse oligomers 44,45 . Soft ionization techniques such as field desorption (FD), fast atom bombardment (FAB), atmospheric pressure chemical ionization (APCI) and electrospray ionization (ESI) have been used for the qualitative characterization of surfactant mixtures in environmental samples 46–49 .…”

Section: Introductionmentioning

confidence: 99%

Coceth sulfate characterization by electrospray ionization tandem mass spectrometry

Onzo

Acquavia

Cataldi

et al. 2020

Rapid Comm Mass Spectrometry

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Rationale The anionic surfactants, among which are alkyl ether sulfates (AESs), are the most used class of surfactants in cleansing applications. The negatively charged head group of AESs is a sulfate moiety linked with a variable number of ethylene oxide units, i.e. a polyethylene glycol chain. The hydrophobic part of an AES is constituted by a linear alkyl chain of carbon atoms, generally obtained from natural fatty acids. Coconut oil fatty acids, including the sodium salts of coceth sulfate (CES) with chemical formula CxHy (OCH2CH2)nOSO3Na, are widely used as feedstock for AESs synthesis. CES is added to many cleaning products and detergents defined as non‐aggressive. Currently, no detailed structural information concerning the alkyl chain length x and, more importantly, the degree of ethoxylation n has been reported. Methods A commercial standard solution of CES was characterized by tandem mass spectrometry, employing direct injection into the electrospray ionization (ESI) source of a a linear quadrupole ion trap mass spectrometer. Results Two series of oligomeric species, characterized by a C12 and C14 alkyl chains, i.e. [C12H25(OCH2CH2)nOSO3]− and [C14H29(OCH2CH2)nOSO3]− with n ranging from 0 to 7, were successfully identified. The interpretation of these data was very useful for CES identification in three commercial dishwasher cleaning products. Conclusions Direct injection MS/MS analysis of CES revealed a well‐defined molecular weight distribution and allowed the alkyl chain composition and the number of ethylene oxide units to be to identified.

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“…Polysorbate surfactants have been analyzed using different techniques in previous studies. Ion mobility mass spectrometry (IM‐MS), which is suitable for a rapid qualitative analysis because of its short analysis time and minimal solvent usage, has also been used to analyze oligomers . Another method is the liquid chromatography coupled with mass spectrometry, which has also been widely used for the separation and identification of a wide variety of compounds .…”

Section: Introductionmentioning

confidence: 99%

Development of supercritical fluid chromatography coupled with mass spectrometry method for characterization of a nonionic surfactant and comparison with liquid chromatography coupled with mass spectrometry method

et al. 2020

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The supercritical fluid chromatography coupled with mass spectrometry (SFC-MS) method and liquid chromatography coupled with mass spectrometry (LC-MS) method were developed for the separation and characterization of poly (ethylene oxide) methyl glucose sesquistearate (PEO-Glu-sesquistearate). The products of PEO-Glusesquistearate are composed of complex oligomers. The relationship between molecular structure of these oligomers and chromatographic retention behavior in both SFC and LC were discussed and compared. As compared with LC, hydrophobic moieties of compounds favor the fast elution in SFC. The different series can be better separated by LC, while the homologues compounds in same series can be better separated by SFC, and SFC-MS provided more comprehensive structural information. Different series such as PEO-distearate, PEO-stearate, PEO, PEO-Glu-tetrastearate, PEO-Glu-tristearate, PEO-Glu-distearate, PEO-Glu-stearate, and PEO-Glu were identified by MS/MS. K E Y W O R D S chromatographic retention behavior, fragment identification, LC-MS, nonionic surfactant, SFC-MS 1 | INTRODUCTION The poly (ethylene oxide) methyl glucose sesquistearate (PEO-Glusesquistearate) is a sugar-based nonionic surfactants with low toxicity and high surface activity, which is widely used as emulsifiers, solubilizers, and stabilizers in cosmetics 1 , drugs 2 , and biodegradation media 3 . PEO-Glu-sesquistearate, as amphiphilic polymers, contains varying quantities of by-products. The formulation of the by-products is complicated, which includes PEO, PEO stearate(s), and PEO-methyl glucose stearate(s) with varying numbers of EOs at varying degrees of esterification (none, mono-, di-, tri-, and quadri-). The structure of PEO-methyl glucose stearate is shown in

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Characterization of polysorbate 85, a nonionic surfactant, by liquid chromatography vs. ion mobility separation coupled with tandem mass spectrometry

Cited by 41 publications

References 51 publications

Characterizing ion mobility and collision cross section of fatty acids using electrospray ion mobility mass spectrometry

Characterizing ion mobility and collision cross section of fatty acids using electrospray ion mobility mass spectrometry

Coceth sulfate characterization by electrospray ionization tandem mass spectrometry

Development of supercritical fluid chromatography coupled with mass spectrometry method for characterization of a nonionic surfactant and comparison with liquid chromatography coupled with mass spectrometry method

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