A Method for Quantitatively Differentiating Crude Natural Extracts Using High-Performance Liquid Chromatography-Electrospray Mass Spectrometry

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• 作者：Randall K. Julian ; Jr. ; Richard E. Higgs ; Jeffrey D. Gygi ; and Matthew D. Hilton
• 刊名：Analytical Chemistry
• 出版年：1998
• 出版时间：August 1, 1998
• 年：1998
• 卷：70
• 期：15
• 页码：3249 - 3254
• 全文大小：71K
• 年卷期：v.70,no.15(August 1, 1998)
• ISSN：1520-6882

文摘

This paper describes a method for quantitatively differentiating crude natural extracts using high-performanceliquid chromatography-electrospray mass spectrometry(HPLC-ESI-MS). The method involves performing anHPLC-MS analysis using standard reversed-phase C18gradient separation on the crude extract. The HPLCsystem used in this study was a dual-column systemdesigned to optimize throughput. Using image analysistechniques, the data are reduced to a list containing them/z value and retention time of each ion. The ion listsare then compared in a pairwise fashion to compute asample similarity index between two samples. The similarity index is based on the number of ions common toboth and is scaled from 0 to 1. Extract controls wereanalyzed throughout a run of 88 unknown fungal extracts.The controls provided information about column andspectrometer stability and overall sensitivity. Pairwisecomparison of all control samples indicates that thesimilarity index is high (0.8) for replicate samples.Comparison between the unknown extract samples produces a distribution of similarities ranging from replicates(0.8) to very dissimilar (0.1). This information can beused to judge the chemical diversity of natural extractsamples, which is one approach to determining the qualityof libraries being used for drug discovery via high-throughput screening.