DISCO: Distance and Spectrum Correlation Optimization Alignment for Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry-Based Metabolomics

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

A Two-stage Peak Alignment Algorithm for Two-Dimensional Gas Chromatography Time-of-Flight Mass Spectrometry-Based Metabolomics

Comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC/TOF-MS) has been applied to metabolomics analyses recently. However, retention time shifts in the two-dimensional gas chromatography will introduce difficulty to compare compound profiles obtained from multiple samples. In this work, a novel two-stage peak alignment algorithm has been developed...

متن کامل

MetPP: a computational platform for comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry-based metabolomics

MOTIVATION Due to the high complexity of metabolome, the comprehensive 2D gas chromatography time-of-flight mass spectrometry (GC×GC-TOF MS) is considered as a powerful analytical platform for metabolomics study. However, the applications of GC×GC-TOF MS in metabolomics are not popular owing to the lack of bioinformatics system for data analysis. RESULTS We developed a computational platform ...

متن کامل

Microbial metabolomics with gas chromatography/mass spectrometry.

An analytical method was set up suitable for the analysis of microbial metabolomes, consisting of an oximation and silylation derivatization reaction and subsequent analysis by gas chromatography coupled to mass spectrometry. Microbial matrixes contain many compounds that potentially interfere with either the derivatization procedure or analysis, such as high concentrations of salts, complex me...

متن کامل

A Novel Two-Stage Alignment Method for Liquid Chromatography Mass Spectrometry-Based Metabolomics

We report a novel two-stage alignment algorithm that contains full alignment and partial alignment, for the analysis of LC-MS based metabolomics data. The purpose of full alignment is to detect landmark peaks that present in all peak lists to be aligned. These peaks were first selected based on m/z value and isotopic peak profile matching. After removing peaks with large Euclidian distance of r...

متن کامل

Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GC x GC-TOFMS) for drug screening and confirmation.

Comprehensive two-dimensional gas chromatography (GC x GC) is applied to analysis of drug standard mixtures containing 78 drugs of interest in forensic samples. For this study, underivatised drugs were employed. While several of the drugs were not detected at the low concentrations employed in the samples, most could be satisfactorily assigned their first and second dimension retentions in the ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Analytical Chemistry

سال: 2010

ISSN: 0003-2700,1520-6882

DOI: 10.1021/ac100064b