Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: Metabolomic analysis of mouse tissue extracts

Robert A. Shellie; Werner Welthagen; Jitka Zrostliková; Joachim Spranger; Michael Ristow; Oliver Fiehn; Ralf Zimmermann

doi:10.1016/j.chroma.2005.05.088

Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: Metabolomic analysis of mouse tissue extracts

Robert A. Shellie, Werner Welthagen, Jitka Zrostliková, Joachim Spranger, Michael Ristow, Oliver Fiehn, Ralf Zimmermann

Molecular and Cellular Biology

Research output: Contribution to journal › Article › peer-review

126 Scopus citations

Abstract

The potential for the utilization of GC × GC-time-of-flight (TOF) MS for high-resolution metabolomics studies is discussed, with the implementation of some statistical comparisons for biomarker detection. Metabolite profiles from NZO obese mice versus BL/6 control mice are compared and contrasted using a number of chromatogram comparison routines, including direct chromatogram comparisons, chromatogram subtraction and averaging routines, as well as a method for generating relative weighted peak surface difference chromatograms, and a more conventional Student's t-test statistical approach.

Original language	English (US)
Pages (from-to)	83-90
Number of pages	8
Journal	Journal of Chromatography A
Volume	1086
Issue number	1-2
DOIs	https://doi.org/10.1016/j.chroma.2005.05.088
State	Published - Sep 9 2005

Keywords

Data processing
Gas chromatography, comprehensive two-dimensional
Mass spectrometry, time-of-flight
Metabolomics

ASJC Scopus subject areas

Analytical Chemistry

Access to Document

10.1016/j.chroma.2005.05.088

Fingerprint Dive into the research topics of 'Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: Metabolomic analysis of mouse tissue extracts'. Together they form a unique fingerprint.

Cite this

Shellie, R. A., Welthagen, W., Zrostliková, J., Spranger, J., Ristow, M., Fiehn, O., & Zimmermann, R. (2005). Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: Metabolomic analysis of mouse tissue extracts. Journal of Chromatography A, 1086(1-2), 83-90. https://doi.org/10.1016/j.chroma.2005.05.088

Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results : Metabolomic analysis of mouse tissue extracts. / Shellie, Robert A.; Welthagen, Werner; Zrostliková, Jitka; Spranger, Joachim; Ristow, Michael; Fiehn, Oliver; Zimmermann, Ralf.

In: Journal of Chromatography A, Vol. 1086, No. 1-2, 09.09.2005, p. 83-90.

Research output: Contribution to journal › Article › peer-review

Shellie, RA, Welthagen, W, Zrostliková, J, Spranger, J, Ristow, M, Fiehn, O & Zimmermann, R 2005, 'Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: Metabolomic analysis of mouse tissue extracts', Journal of Chromatography A, vol. 1086, no. 1-2, pp. 83-90. https://doi.org/10.1016/j.chroma.2005.05.088

Shellie, Robert A. ; Welthagen, Werner ; Zrostliková, Jitka ; Spranger, Joachim ; Ristow, Michael ; Fiehn, Oliver ; Zimmermann, Ralf. / Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results : Metabolomic analysis of mouse tissue extracts. In: Journal of Chromatography A. 2005 ; Vol. 1086, No. 1-2. pp. 83-90.

@article{ce474acce42e44ea88af6492e433deb2,

title = "Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: Metabolomic analysis of mouse tissue extracts",

abstract = "The potential for the utilization of GC × GC-time-of-flight (TOF) MS for high-resolution metabolomics studies is discussed, with the implementation of some statistical comparisons for biomarker detection. Metabolite profiles from NZO obese mice versus BL/6 control mice are compared and contrasted using a number of chromatogram comparison routines, including direct chromatogram comparisons, chromatogram subtraction and averaging routines, as well as a method for generating relative weighted peak surface difference chromatograms, and a more conventional Student's t-test statistical approach.",

keywords = "Data processing, Gas chromatography, comprehensive two-dimensional, Mass spectrometry, time-of-flight, Metabolomics",

author = "Shellie, {Robert A.} and Werner Welthagen and Jitka Zrostlikov{\'a} and Joachim Spranger and Michael Ristow and Oliver Fiehn and Ralf Zimmermann",

year = "2005",

month = sep,

day = "9",

doi = "10.1016/j.chroma.2005.05.088",

language = "English (US)",

volume = "1086",

pages = "83--90",

journal = "Journal of Chromatography",

issn = "0021-9673",

publisher = "Elsevier",

number = "1-2",

}

TY - JOUR

T1 - Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results

T2 - Metabolomic analysis of mouse tissue extracts

AU - Shellie, Robert A.

AU - Welthagen, Werner

AU - Zrostliková, Jitka

AU - Spranger, Joachim

AU - Ristow, Michael

AU - Fiehn, Oliver

AU - Zimmermann, Ralf

PY - 2005/9/9

Y1 - 2005/9/9

N2 - The potential for the utilization of GC × GC-time-of-flight (TOF) MS for high-resolution metabolomics studies is discussed, with the implementation of some statistical comparisons for biomarker detection. Metabolite profiles from NZO obese mice versus BL/6 control mice are compared and contrasted using a number of chromatogram comparison routines, including direct chromatogram comparisons, chromatogram subtraction and averaging routines, as well as a method for generating relative weighted peak surface difference chromatograms, and a more conventional Student's t-test statistical approach.

AB - The potential for the utilization of GC × GC-time-of-flight (TOF) MS for high-resolution metabolomics studies is discussed, with the implementation of some statistical comparisons for biomarker detection. Metabolite profiles from NZO obese mice versus BL/6 control mice are compared and contrasted using a number of chromatogram comparison routines, including direct chromatogram comparisons, chromatogram subtraction and averaging routines, as well as a method for generating relative weighted peak surface difference chromatograms, and a more conventional Student's t-test statistical approach.

KW - Data processing

KW - Gas chromatography, comprehensive two-dimensional

KW - Mass spectrometry, time-of-flight

KW - Metabolomics

UR - http://www.scopus.com/inward/record.url?scp=22744452937&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=22744452937&partnerID=8YFLogxK

U2 - 10.1016/j.chroma.2005.05.088

DO - 10.1016/j.chroma.2005.05.088

M3 - Article

C2 - 16130658

AN - SCOPUS:22744452937

VL - 1086

SP - 83

EP - 90

JO - Journal of Chromatography

JF - Journal of Chromatography

SN - 0021-9673

IS - 1-2

ER -