Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

Research output: Contribution to journalArticlepeer-review

Authors

  • Marie Brown
  • David C Wedge
  • Royston Goodacre
  • Douglas B Kell
  • Philip N Baker
  • Louise C Kenny
  • Mamas A Mamas
  • Ludwig Neyses

Colleges, School and Institutes

Abstract

The study of metabolites (metabolomics) is increasingly being applied to investigate microbial, plant, environmental and mammalian systems. One of the limiting factors is that of chemically identifying metabolites from mass spectrometric signals present in complex datasets.

Details

Original languageEnglish
Pages (from-to)1108-12
Number of pages5
JournalBioinformatics
Volume27
Issue number8
Publication statusPublished - 15 Apr 2011