User: Marie Brown

Name: Marie Brown

Joined: Tuesday 01 March 2011 09:33:41 (UTC)

Last seen: Thursday 03 March 2011 15:13:43 (UTC)

Email (public): m.c.brown [at] manchester.ac.uk

Website: Not specified

Location: Manchester, United Kingdom

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Interests:

Clinical metabolomics, metabolite Identification

Field/Industry: Metabolomics

Occupation/Role(s): Data Analyst/Bioinformatician

Organisation(s):

University of Manchester
Centre for Advanced Diagnostics and Experimental Therapeutics (CADET),
Central Manchester University Hospitals NHS Foundation Trust, Manchester

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Automated Workflows for Accurate Mass-based Putative...

Created: 2011-03-03 15:27:04 | Last updated: 2011-03-03 15:27:07

Credits: Marie Brown

License: Creative Commons Attribution-No Derivative Works 3.0 Unported License

Three workflows, together defined as PUTMEDID-LCMS, have been developed using the open source Taverna environment to perform putative metabolite identification based on accurate mass data acquired from liquid chromatography-electrospray mass spectrometry instruments. Three workflows perform the following steps. (Step 1) Generation of a list of pairwise peak correlations required for input to workflow 2 (workflow 1) (Step 2) Annotation of features to group different ion types of the same metab...

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