期刊
ANALYTICAL CHEMISTRY
卷 81, 期 8, 页码 3079-3086出版社
AMER CHEMICAL SOC
DOI: 10.1021/ac900036d
关键词
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资金
- Dutch Ministry of Agriculture, Nature and Food Quality, [77232903]
- Netherlands Toxicogenomics Centre (NTC) [AIR3-M4-2311]
- European Commission [FP6: FOOD-CT-2006-036220]
- EU-GMOCARE [QLK1-1999-00765]
- [87203001]
Hyphenated full-scan MS technology creates large amounts of data. A versatile easy to handle automation tool aiding in the data analysis is very important in handling such a data stream. MetAlign software-as described in this manuscript-handles a broad range of accurate mass and nominal mass GC/MS and LC/MS data. It is capable of automatic format conversions, accurate mass calculations, baseline corrections, peak-picking, saturation and mass-peak artifact filtering, as well as alignment of up to 1000 data sets. A 100 to 1000-fold data reduction is achieved. MetAlign software output is compatible with most multivariate statistics programs.
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