A software complement to AMDIS for processing GC-MS metabolomic data

被引：123

作者：

Behrends, Volker ^{[1
]}

Tredwell, Gregory D. ^{[1
]}

Bundy, Jacob G. ^{[1
]}

机构：

[1] Univ London Imperial Coll Sci Technol & Med, Fac Med, Dept Surg & Canc, London SW7 2AZ, England

来源：

ANALYTICAL BIOCHEMISTRY | 2011年 / 415卷 / 02期

基金：

英国工程与自然科学研究理事会; 英国生物技术与生命科学研究理事会;

关键词：

MASS-SPECTROMETRY; EXTRACTION;

D O I：

10.1016/j.ab.2011.04.009

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The software package AMDIS performs gas chromatography-mass spectrometry (GC-MS) peak deconvolution but tends to produce false positives and leaves missing values where peaks are found in only a proportion of a set of chromatograms. We have developed a software complement to AMDIS that (i) allows rapid manual inspection of chromatographic peaks across all samples to confirm data quality and (ii) for a given sample set, integrates peak areas across all samples even where AMDIS deconvolution would leave missing values. The freely available package runs within the commercial Matlab environment and is useful where GC-MS is used to profile complex mixtures. (C) 2011 Elsevier Inc. All rights reserved.

引用

页码：206 / 208

页数：3

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