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Issue 18, 2015
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A comparison of one-dimensional and microscale two-dimensional liquid chromatographic approaches coupled to high resolution mass spectrometry for the analysis of complex samples

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Abstract

The interest in two-dimensional liquid chromatography separations is growing every year together with the number of open questions on the benefits of multidimensional systems in comparison to one-dimensional liquid chromatography. In order to solve some of these open questions this work presents a comparison of one-dimensional and microscale two-dimensional liquid chromatography coupled to high resolution mass spectrometry for targeted analysis in wastewater. The comparison is based on the evaluation of a reference standard mixture containing 99 compounds and a real wastewater sample. For the evaluation and compound identification three different criteria were chosen. At first, a deviation of ±5 ppm from the exact mass was defined as acceptable to include the compound for further evaluation. To eliminate false positive results, a maximum retention time deviation of less than 2.5% for each compound of the reference standard and the compounds detected in the wastewater sample was defined for a positive identification as a second criterion for 1D-LC and the second dimension of 2D-LC. In the third step, fragment information from MS/MS experiments was used for further identification of compounds in wastewater. Additionally, the influence of a higher mass accuracy of 1 ppm on the number of identified compounds in comparison to a mass accuracy of 5 ppm was investigated. The results showed that the number of identified compounds was higher by a factor of three in the wastewater sample when using the microscale 2D-LC approach. Moreover, a higher reliability for compound identification is obtained when using retention time and MS/MS information as identification criteria instead of only applying high mass accuracy of 1 or 5 ppm.

Graphical abstract: A comparison of one-dimensional and microscale two-dimensional liquid chromatographic approaches coupled to high resolution mass spectrometry for the analysis of complex samples

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Publication details

The article was received on 04 May 2015, accepted on 27 Jul 2015 and first published on 28 Jul 2015


Article type: Paper
DOI: 10.1039/C5AY01143D
Anal. Methods, 2015,7, 7697-7706
  • Open access: Creative Commons BY-NC license
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    A comparison of one-dimensional and microscale two-dimensional liquid chromatographic approaches coupled to high resolution mass spectrometry for the analysis of complex samples

    J. Leonhardt, T. Teutenberg, J. Tuerk, M. P. Schlüsener, T. A. Ternes and T. C. Schmidt, Anal. Methods, 2015, 7, 7697
    DOI: 10.1039/C5AY01143D

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