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MASS Studio: A Novel Software Utility to Simplify LC-MS Analyses of Large Sets of Samples for Metabolomics

  • Germán Martínez
  • Víctor González-Menéndez
  • Jesús Martín
  • Fernando Reyes
  • Olga Genilloud
  • José R. Tormo
Conference paper
Part of the Lecture Notes in Computer Science book series (LNCS, volume 10208)

Abstract

The success of metabolomic analyses relies on the detection method used to analyze the samples and the management of the chemical data. To interrogate the information with biological hypotheses, scientists require a user friendly and manageable way of processing Big Data. Microbial Natural Products Drug Discovery is getting benefits from these techniques that can be applied for a detailed evaluation of the changes in the chemical diversity of the metabolites that a different treatment can induce in a given producer strain. Liquid Chromatography in tandem with Mass Spectrometry (LC-MS) is considered the best cost/effective technique to analyze biological samples that contain metabolites. Simplifying the complexity of these LC-MS sources in a user friendly way can help with the interrogation of the information for a correct use of statistics and scientific hypothesis testing. We describe herein MASS Studio 1.0, a new generation software utility that simplifies LC-MS traces to allow metabolomics analysis on large sets of microbial Natural Products samples in a Drug Discovery Project environment.

Keywords

Metabolomics Microbial natural products Mass spectrometry 

Notes

Acknowledgments

This work was carried out as part of the Master and PhD. Programs from the School of Master Degrees of the University of Granada.

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Copyright information

© Springer International Publishing AG 2017

Authors and Affiliations

  • Germán Martínez
    • 1
  • Víctor González-Menéndez
    • 1
  • Jesús Martín
    • 1
  • Fernando Reyes
    • 1
  • Olga Genilloud
    • 1
  • José R. Tormo
    • 1
  1. 1.Fundación MEDINA, Parque Tecnológico de la Salud (PTS)Armilla, GranadaSpain

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