High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation

Research output: Contribution to journalJournal articleResearchpeer-review

Standard

High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation. / Dimzon, Ian Ken; Trier, Xenia; Frömel, Tobias; Helmus, Rick; Knepper, Thomas P.; De Voogt, Pim.

In: Journal of the American Society for Mass Spectrometry, Vol. 27, No. 2, 2016, p. 309-318.

Research output: Contribution to journalJournal articleResearchpeer-review

Harvard

Dimzon, IK, Trier, X, Frömel, T, Helmus, R, Knepper, TP & De Voogt, P 2016, 'High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation', Journal of the American Society for Mass Spectrometry, vol. 27, no. 2, pp. 309-318. https://doi.org/10.1007/s13361-015-1269-9

APA

Dimzon, I. K., Trier, X., Frömel, T., Helmus, R., Knepper, T. P., & De Voogt, P. (2016). High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation. Journal of the American Society for Mass Spectrometry, 27(2), 309-318. https://doi.org/10.1007/s13361-015-1269-9

Vancouver

Dimzon IK, Trier X, Frömel T, Helmus R, Knepper TP, De Voogt P. High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation. Journal of the American Society for Mass Spectrometry. 2016;27(2):309-318. https://doi.org/10.1007/s13361-015-1269-9

Author

Dimzon, Ian Ken ; Trier, Xenia ; Frömel, Tobias ; Helmus, Rick ; Knepper, Thomas P. ; De Voogt, Pim. / High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation. In: Journal of the American Society for Mass Spectrometry. 2016 ; Vol. 27, No. 2. pp. 309-318.

Bibtex

@article{6e35af9c167541e5985adfb3955d3a89,
title = "High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation",
abstract = "High resolution mass spectrometry (HRMS) was successfully applied to elucidate the structure of a polyfluorinated polyether (PFPE)-based formulation. The mass spectrum generated from direct injection into the MS was examined by identifying the different repeating units manually and with the aid of an instrument data processor. Highly accurate mass spectral data enabled the calculation of higher-order mass defects. The different plots of MW and the nth-order mass defects (up to n = 3) could aid in assessing the structure of the different repeating units and estimating their absolute and relative number per molecule. The three major repeating units were -C2H4O-, -C2F4O-, and -CF2O-. Tandem MS was used to identify the end groups that appeared to be phosphates, as well as the possible distribution of the repeating units. Reversed-phase HPLC separated of the polymer molecules on the basis of number of nonpolar repeating units. The elucidated structure resembles the structure in the published manufacturer technical data. This analytical approach to the characterization of a PFPE-based formulation can serve as a guide in analyzing not just other PFPE-based formulations but also other fluorinated and non-fluorinated polymers. The information from MS is essential in studying the physico-chemical properties of PFPEs and can help in assessing the risks they pose to the environment and to human health.",
keywords = "Higher-order mass defect, HRMS, PFPE",
author = "Dimzon, {Ian Ken} and Xenia Trier and Tobias Fr{\"o}mel and Rick Helmus and Knepper, {Thomas P.} and {De Voogt}, Pim",
note = "Publisher Copyright: {\textcopyright} 2015 The Author(s).",
year = "2016",
doi = "10.1007/s13361-015-1269-9",
language = "English",
volume = "27",
pages = "309--318",
journal = "Journal of The American Society for Mass Spectrometry",
issn = "1044-0305",
publisher = "Springer Nature",
number = "2",

}

RIS

TY - JOUR

T1 - High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation

AU - Dimzon, Ian Ken

AU - Trier, Xenia

AU - Frömel, Tobias

AU - Helmus, Rick

AU - Knepper, Thomas P.

AU - De Voogt, Pim

N1 - Publisher Copyright: © 2015 The Author(s).

PY - 2016

Y1 - 2016

N2 - High resolution mass spectrometry (HRMS) was successfully applied to elucidate the structure of a polyfluorinated polyether (PFPE)-based formulation. The mass spectrum generated from direct injection into the MS was examined by identifying the different repeating units manually and with the aid of an instrument data processor. Highly accurate mass spectral data enabled the calculation of higher-order mass defects. The different plots of MW and the nth-order mass defects (up to n = 3) could aid in assessing the structure of the different repeating units and estimating their absolute and relative number per molecule. The three major repeating units were -C2H4O-, -C2F4O-, and -CF2O-. Tandem MS was used to identify the end groups that appeared to be phosphates, as well as the possible distribution of the repeating units. Reversed-phase HPLC separated of the polymer molecules on the basis of number of nonpolar repeating units. The elucidated structure resembles the structure in the published manufacturer technical data. This analytical approach to the characterization of a PFPE-based formulation can serve as a guide in analyzing not just other PFPE-based formulations but also other fluorinated and non-fluorinated polymers. The information from MS is essential in studying the physico-chemical properties of PFPEs and can help in assessing the risks they pose to the environment and to human health.

AB - High resolution mass spectrometry (HRMS) was successfully applied to elucidate the structure of a polyfluorinated polyether (PFPE)-based formulation. The mass spectrum generated from direct injection into the MS was examined by identifying the different repeating units manually and with the aid of an instrument data processor. Highly accurate mass spectral data enabled the calculation of higher-order mass defects. The different plots of MW and the nth-order mass defects (up to n = 3) could aid in assessing the structure of the different repeating units and estimating their absolute and relative number per molecule. The three major repeating units were -C2H4O-, -C2F4O-, and -CF2O-. Tandem MS was used to identify the end groups that appeared to be phosphates, as well as the possible distribution of the repeating units. Reversed-phase HPLC separated of the polymer molecules on the basis of number of nonpolar repeating units. The elucidated structure resembles the structure in the published manufacturer technical data. This analytical approach to the characterization of a PFPE-based formulation can serve as a guide in analyzing not just other PFPE-based formulations but also other fluorinated and non-fluorinated polymers. The information from MS is essential in studying the physico-chemical properties of PFPEs and can help in assessing the risks they pose to the environment and to human health.

KW - Higher-order mass defect

KW - HRMS

KW - PFPE

U2 - 10.1007/s13361-015-1269-9

DO - 10.1007/s13361-015-1269-9

M3 - Journal article

C2 - 26519300

AN - SCOPUS:84955469325

VL - 27

SP - 309

EP - 318

JO - Journal of The American Society for Mass Spectrometry

JF - Journal of The American Society for Mass Spectrometry

SN - 1044-0305

IS - 2

ER -

ID: 333814781