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BioMed Research International
Volume 2014, Article ID 194812, 11 pages
Research Article

Tools and Databases of the KOMICS Web Portal for Preprocessing, Mining, and Dissemination of Metabolomics Data

1Kazusa DNA Research Institute, 2-6-7 Kazusa-kamatari, Kisarazu, Chiba 292-0818, Japan
2JST, National Bioscience Database Center (NBDC), 5-3 Yonbancho, Chiyoda-ku, Tokyo 102-0081, Japan
3Department of Nutrition and Life Science, Kanagawa Institute of Technology, 1030 Shimo-ogino, Atsugi, Kanagawa 243-0292, Japan
4Graduate School of Life and Environmental Sciences, Osaka Prefecture University, Sakai, Osaka 599-8531, Japan

Received 5 December 2013; Revised 7 February 2014; Accepted 24 February 2014; Published 9 April 2014

Academic Editor: Shigehiko Kanaya

Copyright © 2014 Nozomu Sakurai et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

The Supplementary Material include 3 supplementary methods and 4 supplementary figures as follows.

Supplementary Method S1: The method for the evaluation of the accuracy of mass values of the peaks detected using PowerGet tool.

Supplementary Method S2: The method for the evaluation of applicability of a data matrix resulting from peak alignment in FragmentAlign tool to a comparative metabolomics analysis.

Supplementary Method S3. The method for the evaluation of accuracy of peak area quantified using SpiceHit tools.

Supplementary Figure S1: Principal component analysis (PCA) of metabolite peaks in Arabidopsis leaves, Lotus japonicus leaves, and Arabidopsis cultured cells detected using GC-MS and aligned by means of FragmentAlign.

Supplementary Figure S2: Correlation coefficients of the values of peak intensity aligned in FragmentAlign.

Supplementary Figure S3: Reproducibility of peak area quantification in SpiceHit and ChemStation.

Supplementary Figure S4: Comparison of values of the peak area quantified using SpiceHit and ChemStation.

Four supplementary tables are as follows.

Supplementary Table S1: The standard compounds used for the comparison of accuracy of mass values obtained using PowerGet and Xcalibur.

Supplementary Table S2: The data used for peak alignment of GC-MS data through FragmentAlign.

Supplementary Table S3: The data used for the evaluation of quantification of peaks using SpiceHit.

Supplementary Table S4: Comparison of accuracy of peak area quantification in SpiceHit and in ChemStation.

  1. Supplementary Materials
  2. Supplementary Table S1
  3. Supplementary Table S2
  4. Supplementary Table S3
  5. Supplementary Table S4