Evaluation of automated electrospray-TOF mass spectrometryfor metabolic fingerprinting of the plant metabolome
Evaluation of automated electrospray-TOF mass spectrometryfor metabolic fingerprinting of the plant metabolome
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DOI：
10.1007/s11306-005-4433-6
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发表时间：
2005-04-01
期刊：
影响因子：
3.6
通讯作者：
Quick, W. P.
中科院分区：
文献类型：
--
作者：
Dunn, W. B.;Overy, S.;Quick, W. P.
代谢指纹越来越多地应用于微生物和植物代谢组学。识别和评价的分析因素，影响自动电喷雾飞行时间质谱产生的质谱，以支持代谢指纹。在200 Da质量下的4000（FWHM）的仪器分辨率提供了相同标称质量但不同单一同位素质量的离子的检测。在正离子和负离子模式下，从番茄果实的极性提取物中获得了复杂的质谱。这些光谱包括代谢物离子（分子、加合物和碎片）和来自浸提介质的离子，主要以[M+H]（+）、[M-H]（-）、[M+Na]（+）、[M+K]（+）、[2 M +H]（+）、[M+Cl]（-）和[2 M-H]（-）的形式存在。电离抑制降低了灵敏度，尽管其作用在广泛的代谢物浓度范围内是一致的。与生物（果实内9.6-27.6%;果实间13.2-34.4%）重复相比，分析（2.2-30.1%）中离子信号强度的变异性较低。该方法适用于高通量代谢指纹图谱，并且具有准确的质量测量，能够提供数据复杂性的降低和代谢物的初步鉴定。
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.