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MULTIPLEXING MATRIX-ANALYTE STEREO ELECTRONIC INTERACTIONS FOR HIGH THROUGHPUT SHOTGUN METABOLOMICS
MULTIPLEXING MATRIX-ANALYTE STEREO ELECTRONIC INTERACTIONS FOR HIGH THROUGHPUT SHOTGUN METABOLOMICS
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机译:高通量Shotgun代谢组学的多重矩阵-分析物立体电子相互作用
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摘要
A shotgun metabolomics approach using MALDI-tandem mass spectrometry was developed for the rapid analysis of cellular metabolites. Through the use of neutral organic solvents to inactivate endogenous enzyme activities (i.e., methanol/chloroform/H2O extraction), multiplexed extraction conditions and combinatorial alterations in matrix stereoelectronic composition and analyte interactions, multiple suites of metabolites were directly ionized and quantitated directly from biologic extracts without the need for prior chromatographic separation. Through combinatorial alterations in 9-aminoacridine charge, aromaticity and stacking, a set of multiplexed conditions was developed that allowed identification of many hundreds of peaks corresponding to metabolites from mouse heart extracts. Identification of metabolite peaks was based on mass accuracy and isomeric species were assigned based on diagnostic fragment ions present during tandem mass spectrometry for many of the identified metabolite peaks.
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机译:开发了使用MALDI串联质谱的metry弹枪代谢组学方法来快速分析细胞代谢物。通过使用中性有机溶剂来灭活内源酶活性(例如,甲醇/氯仿/ H 2 Sub> O提取),多重提取条件以及基质立体电子组成和分析物相互作用的组合变化,多种代谢物直接从生物提取物中直接进行离子化和定量分析,而无需事先进行色谱分离。通过9-氨基ac啶电荷,芳香性和堆积的组合变化,开发了一组多重条件,可鉴定与小鼠心脏提取物中代谢物相对应的数百个峰。代谢物峰的鉴定基于质量准确度,并且基于串联质谱分析过程中发现的许多鉴定出的代谢物峰的诊断碎片离子分配了同分异构体。
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