title: Principal components scores and loadings plots for visualisation of the electrospray ionisation liquid chromatography mass spectra of a mixture of chlorophyll degradation products at different cone voltages.
abstract: Positive ion electrospray liquid chromatography mass spectrometry was performed on a mixture of allomers obtained from the degradation of chlorophyll a, at three cone voltages. An approach is described for obtaining principal components loadings and scores plots, involving mass selection, normalisation and standardisation of the data, principal components analysis and three dimensional projections. The loadings plots group ions which are assigned to five major compounds in the mixture by reference to the scores. At higher cone voltage fragmentation and differentiation between compounds with identical molecular weights is observed.
authors.affiliation: School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, UK.
authors.forename: K D
authors.initials: KD
authors.lastname: Zissis
authors.forename: R G
authors.initials: RG
authors.lastname: Brereton
authors.forename: S
authors.initials: S
authors.lastname: Dunkerley
mesh_terms: D002734:Chlorophyll / Q000032:analysis*; D000077194:Chlorophyll A; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D013058:Mass Spectrometry / Q000379:methods; D015394:Molecular Structure; D012997:Solvents; D018724:Spinacia oleracea / Q000737:chemistry
chemical_list: D012997:Solvents; D002734:Chlorophyll; D000077194:Chlorophyll A