Mapping glyceride species in biodiesel by high-temperature gas chromatography combined with chemical ionization mass spectrometry.

Wojcik, Roza; Oxford, Tessa L.; Melville, Angela M.; Wright, Cherylyn W.; Wright, Bob W.

doi:10.1021/acs.analchem.1c02474

Title: Mapping glyceride species in biodiesel by high-temperature gas chromatography combined with chemical ionization mass spectrometry.

Journal Article · Tue Nov 02 00:00:00 EDT 2021 · Analytical Chemistry

DOI:https://doi.org/10.1021/acs.analchem.1c02474· OSTI ID:1828762

Wojcik, Roza ^[1]; Oxford, Tessa L. ^[1]; Melville, Angela M. ^[1]; Wright, Cherylyn W. ^[1];

^[1]

BATTELLE (PACIFIC NW LAB)

Accurate and comprehensive identification of residual glycerides in biodiesel is an important part of the fuel characterization, due to the impact of glycerides on the fuel physicochemical properties. However, analysis of bound glycerol in biodiesel samples faces challenges due to lack of readily available standards of structurally complex glyceride species in non-traditional biodiesel feedstocks, and a risk of misannotation in the presence of impurities in gas chromatographic separations. Here we evaluate methane and isobutane chemical ionization – single quadrupole mass spectrometry combined with high temperature gas chromatography separations for mapping monoacylglycerols, diacylglycerols and triacylglycerols in biodiesel. Unlike the electron impact ionization which produces mostly in-source fragments, isobutane chemical ionization spectra of tetramethylsilyl (TMS) derivatized monoacylglycerols and diacylglycerols are dominated by molecular ions and M-SiO(CH3)3+ ions, which provide important diagnostic information. We demonstrate the utility of isobutane chemical ionization in identifying structurally complex glycerolipid standards as well as species in biodiesel samples from different plant and animal feedstocks.

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Research Organization:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1828762

Report Number(s):: PNNL-SA-167048

Journal Information:: Analytical Chemistry, Vol. 93, Issue 43

Country of Publication:: United States

Language:: English

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Title: Mapping glyceride species in biodiesel by high-temperature gas chromatography combined with chemical ionization mass spectrometry.

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