Clarification of Pathway Specific Inhibition by FT-ICR/MS-Based Metabolic Phenotyping Studies

Akira Oikawa, Yukiko Nakamura, Tomonori Ogura, Atsuko Kimura, Hideyuki Suzuki, Nozomu Sakurai, Yoko Shinbo, Daisuke Shibata, Shigehiko Kanaya and Daisaku Ohta

Software Dr DMASS which has been developed to effectively analyze mass spectral data using multivariate analysis consist of three steps, (i) Peak Correction, (ii) Multivariate Data Processing, and (iii) Multivariate Analysis. In Peak Correction process, we correct experimental m/z values based on the relation between experimental and desired values in internal mass calibrants (IMCs). A multivariate data is constructed by a data set of multiple samples. In Multivariate Data Preprocessing, we can assess reproducibility of samples with iterative measurement, and select useful peaks for separating groups of samples and so on. After preprocessing, we can visualize the multivariate data by using multivariate analysis method such as principal component analysis (PCA) and Batch-learning self-organizing map (BL-SOM). This software and its instruction manual is freely available at the present site. Java j2sdk-1.4.2. is required to be installed in the user's computer to use this software.

A.Oikawa, Y. Nakamura, T.Ogura, A. Kimura, H. Suzuki, N. Sakurai, Y.Shinbo, D. Shibata, S. Kanaya and D. Ohta.
Clarification of Pathway-Specific Inhibition by Fourier Transform Ion Cyclotron Resonance/Mass Spectrometry-Based Metabolic Phenotyping Studies. Plant Physiol., 142, 398-413, (2006)

last update: 2007/12/7
Software download:
Instraction Manual: DrDMASSInstruction.pdf

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