Publication

Integrated quantification and identification of aldehydes and ketones in biological samples

Siegel, D., Meinema, A. C., Permentier, H., Hopfgartner, G. & Bischoff, R., 20-May-2014, In : Analytical Chemistry. 86, 10, p. 5089-5100 12 p.

Research output: Contribution to journalArticleAcademicpeer-review

APA

Siegel, D., Meinema, A. C., Permentier, H., Hopfgartner, G., & Bischoff, R. (2014). Integrated quantification and identification of aldehydes and ketones in biological samples. Analytical Chemistry, 86(10), 5089-5100. https://doi.org/10.1021/ac500810r

Author

Siegel, David ; Meinema, Anne C ; Permentier, Hjalmar ; Hopfgartner, Gérard ; Bischoff, Rainer. / Integrated quantification and identification of aldehydes and ketones in biological samples. In: Analytical Chemistry. 2014 ; Vol. 86, No. 10. pp. 5089-5100.

Harvard

Siegel, D, Meinema, AC, Permentier, H, Hopfgartner, G & Bischoff, R 2014, 'Integrated quantification and identification of aldehydes and ketones in biological samples', Analytical Chemistry, vol. 86, no. 10, pp. 5089-5100. https://doi.org/10.1021/ac500810r

Standard

Integrated quantification and identification of aldehydes and ketones in biological samples. / Siegel, David; Meinema, Anne C; Permentier, Hjalmar; Hopfgartner, Gérard; Bischoff, Rainer.

In: Analytical Chemistry, Vol. 86, No. 10, 20.05.2014, p. 5089-5100.

Research output: Contribution to journalArticleAcademicpeer-review

Vancouver

Siegel D, Meinema AC, Permentier H, Hopfgartner G, Bischoff R. Integrated quantification and identification of aldehydes and ketones in biological samples. Analytical Chemistry. 2014 May 20;86(10):5089-5100. https://doi.org/10.1021/ac500810r


BibTeX

@article{82bfb706bffa43f4823563e31a9496e6,
title = "Integrated quantification and identification of aldehydes and ketones in biological samples",
abstract = "The identification of unknown compounds remains to be a bottleneck of mass spectrometry (MS)-based metabolomics screening experiments. Here, we present a novel approach which facilitates the identification and quantification of analytes containing aldehyde and ketone groups in biological samples by adding chemical information to MS data. Our strategy is based on rapid autosampler-in-needle-derivatization with p-toluenesulfonylhydrazine (TSH). The resulting TSH-hydrazones are separated by ultrahigh-performance liquid chromatography (UHPLC) and detected by electrospray ionization-quadrupole-time-of-flight (ESI-QqTOF) mass spectrometry using a SWATH (Sequential Window Acquisition of all Theoretical Fragment-Ion Spectra) data-independent high-resolution mass spectrometry (HR-MS) approach. Derivatization makes small, poorly ionizable or retained analytes amenable to reversed phase chromatography and electrospray ionization in both polarities. Negatively charged TSH-hydrazone ions furthermore show a simple and predictable fragmentation pattern upon collision induced dissociation, which enables the chemo-selective screening for unknown aldehydes and ketones via a signature fragment ion (m/z 155.0172). By means of SWATH, targeted and nontargeted application scenarios of the suggested derivatization route are enabled in the frame of a single UHPLC-ESI-QqTOF-HR-MS workflow. The method's ability to simultaneously quantify and identify molecules containing aldehyde and ketone groups is demonstrated using 61 target analytes from various compound classes and a (13)C labeled yeast matrix. The identification of unknowns in biological samples is detailed using the example of indole-3-acetaldehyde.",
author = "David Siegel and Meinema, {Anne C} and Hjalmar Permentier and G{\'e}rard Hopfgartner and Rainer Bischoff",
year = "2014",
month = may,
day = "20",
doi = "10.1021/ac500810r",
language = "English",
volume = "86",
pages = "5089--5100",
journal = "Analytical Chemistry",
issn = "0003-2700",
publisher = "AMER CHEMICAL SOC INC",
number = "10",

}

RIS

TY - JOUR

T1 - Integrated quantification and identification of aldehydes and ketones in biological samples

AU - Siegel, David

AU - Meinema, Anne C

AU - Permentier, Hjalmar

AU - Hopfgartner, Gérard

AU - Bischoff, Rainer

PY - 2014/5/20

Y1 - 2014/5/20

N2 - The identification of unknown compounds remains to be a bottleneck of mass spectrometry (MS)-based metabolomics screening experiments. Here, we present a novel approach which facilitates the identification and quantification of analytes containing aldehyde and ketone groups in biological samples by adding chemical information to MS data. Our strategy is based on rapid autosampler-in-needle-derivatization with p-toluenesulfonylhydrazine (TSH). The resulting TSH-hydrazones are separated by ultrahigh-performance liquid chromatography (UHPLC) and detected by electrospray ionization-quadrupole-time-of-flight (ESI-QqTOF) mass spectrometry using a SWATH (Sequential Window Acquisition of all Theoretical Fragment-Ion Spectra) data-independent high-resolution mass spectrometry (HR-MS) approach. Derivatization makes small, poorly ionizable or retained analytes amenable to reversed phase chromatography and electrospray ionization in both polarities. Negatively charged TSH-hydrazone ions furthermore show a simple and predictable fragmentation pattern upon collision induced dissociation, which enables the chemo-selective screening for unknown aldehydes and ketones via a signature fragment ion (m/z 155.0172). By means of SWATH, targeted and nontargeted application scenarios of the suggested derivatization route are enabled in the frame of a single UHPLC-ESI-QqTOF-HR-MS workflow. The method's ability to simultaneously quantify and identify molecules containing aldehyde and ketone groups is demonstrated using 61 target analytes from various compound classes and a (13)C labeled yeast matrix. The identification of unknowns in biological samples is detailed using the example of indole-3-acetaldehyde.

AB - The identification of unknown compounds remains to be a bottleneck of mass spectrometry (MS)-based metabolomics screening experiments. Here, we present a novel approach which facilitates the identification and quantification of analytes containing aldehyde and ketone groups in biological samples by adding chemical information to MS data. Our strategy is based on rapid autosampler-in-needle-derivatization with p-toluenesulfonylhydrazine (TSH). The resulting TSH-hydrazones are separated by ultrahigh-performance liquid chromatography (UHPLC) and detected by electrospray ionization-quadrupole-time-of-flight (ESI-QqTOF) mass spectrometry using a SWATH (Sequential Window Acquisition of all Theoretical Fragment-Ion Spectra) data-independent high-resolution mass spectrometry (HR-MS) approach. Derivatization makes small, poorly ionizable or retained analytes amenable to reversed phase chromatography and electrospray ionization in both polarities. Negatively charged TSH-hydrazone ions furthermore show a simple and predictable fragmentation pattern upon collision induced dissociation, which enables the chemo-selective screening for unknown aldehydes and ketones via a signature fragment ion (m/z 155.0172). By means of SWATH, targeted and nontargeted application scenarios of the suggested derivatization route are enabled in the frame of a single UHPLC-ESI-QqTOF-HR-MS workflow. The method's ability to simultaneously quantify and identify molecules containing aldehyde and ketone groups is demonstrated using 61 target analytes from various compound classes and a (13)C labeled yeast matrix. The identification of unknowns in biological samples is detailed using the example of indole-3-acetaldehyde.

U2 - 10.1021/ac500810r

DO - 10.1021/ac500810r

M3 - Article

C2 - 24745975

VL - 86

SP - 5089

EP - 5100

JO - Analytical Chemistry

JF - Analytical Chemistry

SN - 0003-2700

IS - 10

ER -

ID: 13055563