Evaluation of automated electrospray-TOF mass spectrometry for metabolic fingerprinting of the plant metabolome
W. B. Dunn, S. Overy, W. P. Quick
Metabolic fingerprinting is increasingly employed in microbial and plant metabolomics. Identification and evaluation of analytical factors that influence mass spectra produced with automated electrospray time of flight mass spectrometry to support metabolic fingerprinting are described. Instrument resolution of 4000 (FWHM) at mass 200 Da provided detection of ions of the same nominal mass but different monoisotopic masses. Complex mass spectra were obtained from polar extracts of tomato fruit in positive and negative ion mode. These spectra consist of metabolite ions (molecular, adduct and fragment) and those derived from the extraction medium, largely in the form of [M+H]+, [M-H]-, [M+Na]+, [M+K]+, [2M+H]+, [M+Cl]- and [2M-H]-. Ionisation suppression reduced sensitivity, although its effect was consistent for a wide range of metabolite concentrations. Variability in ion signal intensity was lower in analytical (2.2-30.1%) compared to biological (within fruit 9.6-27.6%; between-fruit 13.2-34.4%) replicates. The method is applicable to high throughput metabolic fingerprinting and, with accurate mass measurements, is able to provide reductions in data complexity and preliminary identification of metabolites. © 2005 Springer Science+Business Media, Inc.
ElectrosprayTime-of-Flight Mass Spectrometry (ES-TOF-MS)
L. esculentum
L. pennellii
Metabolic fingerprinting
Dive into the research topics of 'Evaluation of automated electrospray-TOF mass spectrometry for metabolic fingerprinting of the plant metabolome'. Together they form a unique fingerprint.
Metabolic Chemistry 100%
Electrosprays Pharmacology, Toxicology and Pharmaceutical Science 100%
Metabolite Chemistry 74%
Mass Spectrum Chemistry 50%
Plant Biochemistry, Genetics and Molecular Biology 50%
Electrospray Ionization Biochemistry, Genetics and Molecular Biology 50%
Anion Pharmacology, Toxicology and Pharmaceutical Science 50%
Dunn, W. B., Overy, S., & Quick, W. P. (2005). Evaluation of automated electrospray-TOF mass spectrometry for metabolic fingerprinting of the plant metabolome. Metabolomics, 1(2), 137-148. https://doi.org/10.1007/s11306-005-4433-6
Dunn, W. B. ; Overy, S. ; Quick, W. P. / Evaluation of automated electrospray-TOF mass spectrometry for metabolic fingerprinting of the plant metabolome. In: Metabolomics. 2005 ; Vol. 1, No. 2. pp. 137-148.
@article{d03dec753c004b25a63807ed612c6dde,
title = "Evaluation of automated electrospray-TOF mass spectrometry for metabolic fingerprinting of the plant metabolome",
abstract = "Metabolic fingerprinting is increasingly employed in microbial and plant metabolomics. Identification and evaluation of analytical factors that influence mass spectra produced with automated electrospray time of flight mass spectrometry to support metabolic fingerprinting are described. Instrument resolution of 4000 (FWHM) at mass 200 Da provided detection of ions of the same nominal mass but different monoisotopic masses. Complex mass spectra were obtained from polar extracts of tomato fruit in positive and negative ion mode. These spectra consist of metabolite ions (molecular, adduct and fragment) and those derived from the extraction medium, largely in the form of [M+H]+, [M-H]-, [M+Na]+, [M+K]+, [2M+H]+, [M+Cl]- and [2M-H]-. Ionisation suppression reduced sensitivity, although its effect was consistent for a wide range of metabolite concentrations. Variability in ion signal intensity was lower in analytical (2.2-30.1%) compared to biological (within fruit 9.6-27.6%; between-fruit 13.2-34.4%) replicates. The method is applicable to high throughput metabolic fingerprinting and, with accurate mass measurements, is able to provide reductions in data complexity and preliminary identification of metabolites. {\textcopyright} 2005 Springer Science+Business Media, Inc.",
keywords = "ElectrosprayTime-of-Flight Mass Spectrometry (ES-TOF-MS), L. esculentum, L. pennellii, Metabolic fingerprinting, Metabolomics",
author = "Dunn, {W. B.} and S. Overy and Quick, {W. P.}",
note = "Times Cited: 29",
journal = "Metabolomics : Official journal of the Metabolomic Society",
publisher = "Springer Nature",
Dunn, WB, Overy, S & Quick, WP 2005, 'Evaluation of automated electrospray-TOF mass spectrometry for metabolic fingerprinting of the plant metabolome', Metabolomics, vol. 1, no. 2, pp. 137-148. https://doi.org/10.1007/s11306-005-4433-6
Evaluation of automated electrospray-TOF mass spectrometry for metabolic fingerprinting of the plant metabolome. / Dunn, W. B.; Overy, S.; Quick, W. P.
In: Metabolomics, Vol. 1, No. 2, 04.2005, p. 137-148.
T1 - Evaluation of automated electrospray-TOF mass spectrometry for metabolic fingerprinting of the plant metabolome
AU - Dunn, W. B.
AU - Overy, S.
AU - Quick, W. P.
N1 - Times Cited: 29
N2 - Metabolic fingerprinting is increasingly employed in microbial and plant metabolomics. Identification and evaluation of analytical factors that influence mass spectra produced with automated electrospray time of flight mass spectrometry to support metabolic fingerprinting are described. Instrument resolution of 4000 (FWHM) at mass 200 Da provided detection of ions of the same nominal mass but different monoisotopic masses. Complex mass spectra were obtained from polar extracts of tomato fruit in positive and negative ion mode. These spectra consist of metabolite ions (molecular, adduct and fragment) and those derived from the extraction medium, largely in the form of [M+H]+, [M-H]-, [M+Na]+, [M+K]+, [2M+H]+, [M+Cl]- and [2M-H]-. Ionisation suppression reduced sensitivity, although its effect was consistent for a wide range of metabolite concentrations. Variability in ion signal intensity was lower in analytical (2.2-30.1%) compared to biological (within fruit 9.6-27.6%; between-fruit 13.2-34.4%) replicates. The method is applicable to high throughput metabolic fingerprinting and, with accurate mass measurements, is able to provide reductions in data complexity and preliminary identification of metabolites. © 2005 Springer Science+Business Media, Inc.
AB - Metabolic fingerprinting is increasingly employed in microbial and plant metabolomics. Identification and evaluation of analytical factors that influence mass spectra produced with automated electrospray time of flight mass spectrometry to support metabolic fingerprinting are described. Instrument resolution of 4000 (FWHM) at mass 200 Da provided detection of ions of the same nominal mass but different monoisotopic masses. Complex mass spectra were obtained from polar extracts of tomato fruit in positive and negative ion mode. These spectra consist of metabolite ions (molecular, adduct and fragment) and those derived from the extraction medium, largely in the form of [M+H]+, [M-H]-, [M+Na]+, [M+K]+, [2M+H]+, [M+Cl]- and [2M-H]-. Ionisation suppression reduced sensitivity, although its effect was consistent for a wide range of metabolite concentrations. Variability in ion signal intensity was lower in analytical (2.2-30.1%) compared to biological (within fruit 9.6-27.6%; between-fruit 13.2-34.4%) replicates. The method is applicable to high throughput metabolic fingerprinting and, with accurate mass measurements, is able to provide reductions in data complexity and preliminary identification of metabolites. © 2005 Springer Science+Business Media, Inc.
KW - ElectrosprayTime-of-Flight Mass Spectrometry (ES-TOF-MS)
KW - L. esculentum
KW - L. pennellii
KW - Metabolic fingerprinting
KW - Metabolomics
JO - Metabolomics : Official journal of the Metabolomic Society
JF - Metabolomics : Official journal of the Metabolomic Society
Dunn WB, Overy S, Quick WP. Evaluation of automated electrospray-TOF mass spectrometry for metabolic fingerprinting of the plant metabolome. Metabolomics. 2005 Apr;1(2):137-148. doi: 10.1007/s11306-005-4433-6