Explanatory signal interpretation and metabolite identification strategies for nominal mass FIE-MS metabolite fingerprints

H...............H

Show simple item record

dc.contributor.author Overy, David P.
dc.contributor.author Enot, David Pierre Louis
dc.contributor.author Tailliart, Kathleen
dc.contributor.author Jenkins, Helen Ann
dc.contributor.author Parker, David A
dc.contributor.author Beckmann, Manfred
dc.contributor.author Draper, John
dc.date.accessioned 2009-05-21T12:27:40Z
dc.date.available 2009-05-21T12:27:40Z
dc.date.issued 2008-02-28
dc.identifier.citation Overy , D P , Enot , D P L , Tailliart , K , Jenkins , H A , Parker , D A , Beckmann , M & Draper , J 2008 , ' Explanatory signal interpretation and metabolite identification strategies for nominal mass FIE-MS metabolite fingerprints ' Nature Protocols , vol 3 , pp. 471-485 . , 10.1038/nprot.2007.512 en
dc.identifier.issn 1754-2189
dc.identifier.other PURE: 102909
dc.identifier.other dspace: 2160/2328
dc.identifier.uri http://hdl.handle.net/2160/2328
dc.description Overy, D. P., Enot, D. P., Tailliart, K., Jenkins, H., Parker, D., Beckmann, M., Draper, J. (2008). Explanatory signal interpretation and metabolite identification strategies for nominal mass FIE-MS metabolite fingerprints.  Nature Protocols, 3, (3), 471-485. IMPF: 04.17 RONO: 00 en
dc.description.abstract Flow injection electrospray mass spectrometry (FIE-MS) metabolite fingerprinting is widely used as a 'first pass' screen for compositional differences, where discrimination between samples can be achieved without any preconceptions. Powerful data analysis algorithms can be used to select and rank FIE-MS fingerprint variables highly explanatory of the biological problem under investigation. We describe how to create a species-specific FIE-MS/MSn metabolite database and how to then query the database to predict the identity of highly significant variables within FIE-MS fingerprints. The protocol details how to interpret m/z signals within the explanatory variable list based on a correlation analysis in conjunction with an investigation of mathematical relationships regarding (de) protonated molecular ions, salt adducts, neutral losses and dimeric associations routinely observed in FIE-MS fingerprints. Although designed for use by biologists/analytical chemists, collaboration with data-mining experts is generally advised. The protocol is applicable in any areas of bioscience research involving FIE-MS fingerprinting en
dc.format.extent 15 en
dc.language.iso eng
dc.relation.ispartof Nature Protocols en
dc.title Explanatory signal interpretation and metabolite identification strategies for nominal mass FIE-MS metabolite fingerprints en
dc.type Text en
dc.type.publicationtype Article (Journal) en
dc.identifier.doi http://dx.doi.org/10.1038/nprot.2007.512
dc.contributor.institution Institute of Biological, Environmental and Rural Sciences en
dc.contributor.institution Department of Computer Science en
dc.description.status Peer reviewed en


Files in this item

Files Size Format View

There are no files associated with this item.

This item appears in the following Collection(s)

Show simple item record

Search Cadair


Advanced Search

Browse

My Account