A statistical procedure to selectively detect metabolite signals in LC-MS data based on using variable isotope ratios
نویسندگان
چکیده
منابع مشابه
Computational Analysis of LC-MS/MS Data for Metabolite Identification
Metabolomics aims at the detection and quantitation of metabolites within a biological system. As the most direct representation of phenotypic changes, metabolomics is an important component in system biology research. Recent development on highresolution, high-accuracy mass spectrometers enables the simultaneous study of hundreds or even thousands of metabolites in one experiment. Liquid chrom...
متن کاملDevelopment of the First Metabolite-based LC-MS Urine Drug Screening Procedure
Screening for toxic compounds or drugs (TCD) in different body samples is one of the major tasks in clinical and forensic toxicology as well as in doping control. Several procedures using different separation and/or detection systems were used for screening purposes in the field of analytical toxicology [1]. While immunoassays allow a quick screening for a limited number of targets, chromatogra...
متن کاملData reduction of isotope-resolved LC-MS spectra
MOTIVATION Data reduction of liquid chromatography-mass spectrometry (LC-MS) spectra can be a challenge due to the inherent complexity of biological samples, noise and non-flat baseline. We present a new algorithm, LCMS-2D, for reliable data reduction of LC-MS proteomics data. RESULTS LCMS-2D can reliably reduce LC-MS spectra with multiple scans to a list of elution peaks, and subsequently to...
متن کاملA Guideline to Univariate Statistical Analysis for LC/MS-Based Untargeted Metabolomics-Derived Data
Several metabolomic software programs provide methods for peak picking, retention time alignment and quantification of metabolite features in LC/MS-based metabolomics. Statistical analysis, however, is needed in order to discover those features significantly altered between samples. By comparing the retention time and MS/MS data of a model compound to that from the altered feature of interest i...
متن کاملA statistical method for chromatographic alignment of LC-MS data.
Integrated liquid-chromatography mass-spectrometry (LC-MS) is becoming a widely used approach for quantifying the protein composition of complex samples. The output of the LC-MS system measures the intensity of a peptide with a specific mass-charge ratio and retention time. In the last few years, this technology has been used to compare complex biological samples across multiple conditions. One...
متن کاملذخیره 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: Journal of the American Society for Mass Spectrometry
سال: 2010
ISSN: 1044-0305,1879-1123
DOI: 10.1016/j.jasms.2009.10.002