Development and validation of the PyMS Mass Spectrometry software

ABSTRACT: To provide useful data for development and validation of the PyMS Mass Spectrometry software, a test dataset was run at Metabolomics Australia. A biologically complex mix of a biological background material (foetal calf serum), spiked with 2-fold increasing amounts of a mix of metabolite standards. In addition, a single sample consisting of a simple mix of 45 metabolites representing a variety of chemical classes (sufars, organic acids, amino acids, sugar phosphates), was run through a standard Metabolomics Australia GC-MS analysis. The resulting data is a valuable tool in testing GC-MS data analysis software.

INSTRUMENT(S): Gas Chromatography MS - positive - low polarity - Agilent 5975E GC/MSD (Agilent)

PROVIDER: MTBLS6 | MetaboLights | 2012-03-29

REPOSITORIES: MetaboLights