A comprehensive and comparative analysis for MALDI FTMS lipid and phospholipid profiles from biological samples

Described here is a computationally automated method for translating complex accurate mass spectra into biologically relevant and meaningful data. Rapid profiling of detailed high resolution mass spectra resulting from direct analysis of whole cells and tissues by matrix-assisted laser desorption/ionization (MALDI) Fourier transform mass spectrometry (FTMS) is discussed. Lipid and phospholipid ions create complex spectra containing multiple m/z values corresponding to the same fundamental chemical species. A computational approach is employed to sort ions, with mass to charge ratios lower than m/z 1000, into groups of similar lipid and phospholipid compositions for comprehensive and rapid analysis. By sorting or binning ions in this manner, variations in the degree of cation exchange can be avoided, thus increasing the comparability of the data. The result is displayed as a histogram that is easily interpretable and comparable with similar analyses and is particularly useful for direct comparison of similar tissues. Spectra of leaves from a healthy Prunus persica (peach) tree are compared with those from leaves infected by the fungus Taphrina deformans. Although the infection can be seen as a difference in leaf structure and by visual inspection of the mass spectra, the method described here details the chemical difference in phospholipid compositions and their relative abundances.

[1]  Martin Hermansson,et al.  Automated quantitative analysis of complex lipidomes by liquid chromatography/mass spectrometry. , 2005, Analytical chemistry.

[2]  W. Griffiths.  Tandem mass spectrometry in the study of fatty acids, bile acids, and steroids. , 2003, Mass spectrometry reviews.

[3]  C. Fenselau,et al.  Identification of bacteria using mass spectrometry , 1975 .

[4]  C. Fenselau,et al.  Applications of 1.06-micron IR laser desorption on a Fourier transform mass spectrometer. , 1998, Analytical chemistry.

[5]  M. Gross,et al.  Ionic-liquid matrices for improved analysis of phospholipids by MALDI-TOF mass spectrometry , 2005, Journal of the American Society for Mass Spectrometry.

[6]  P. Demirev,et al.  Characterization of intact microorganisms by MALDI mass spectrometry. , 2001, Mass spectrometry reviews.

[7]  Dietrich A Volmer,et al.  Assigning product ions from complex MS/MS spectra: The importance of mass uncertainty and resolving power , 2005, Journal of the American Society for Mass Spectrometry.

[8]  K. Arnold,et al.  Lipid analysis by matrix-assisted laser desorption and ionization mass spectrometry: A methodological approach. , 1999, Analytical biochemistry.

[9]  J. Lay,et al.  MALDI-TOF mass spectrometry of bacteria. , 2001, Mass spectrometry reviews.

[10]  Jeffrey J. Jones,et al.  Use of double-depleted 13C and 15N culture media for analysis of whole cell bacteria by MALDI time-of-flight and Fourier transform mass spectrometry , 2003, Journal of the American Society for Mass Spectrometry.

[11]  Lechevalier Mp.  Lipids in Bacterial Taxonomy - A Taxonomist's View , 1977 .

[12]  T. Hadfield,et al.  Direct mass spectrometric analysis of in situ thermally hydrolyzed and methylated lipids from whole bacterial cells. , 1998, Analytical chemistry.

[13]  Xianlin Han,et al.  Toward fingerprinting cellular lipidomes directly from biological samples by two-dimensional electrospray ionization mass spectrometry. , 2004, Analytical biochemistry.

[14]  M. Tyers,et al.  From genomics to proteomics , 2003, Nature.

[15]  Jeffrey J. Jones,et al.  Strategies and data analysis techniques for lipid and phospholipid chemistry elucidation by intact cell MALDI-FTMS , 2004, Journal of the American Society for Mass Spectrometry.

[16]  C. Fenselau,et al.  Profiling of bacteria by fast atom bombardment mass spectrometry. , 1987, Analytical chemistry.

[17]  K. Voorhees,et al.  Direct analysis of bacterial fatty acids by Curie-point pyrolysis tandem mass spectrometry. , 1990, Analytical chemistry.

[18]  V. Zabrouskov,et al.  Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry of lipids: ionization and prompt fragmentation patterns. , 2003, Rapid communications in mass spectrometry : RCM.

[19]  R. Urade,et al.  Nondestructive quantification of neutral lipids by thin-layer chromatography and laser-fluorescent scanning: suitable methods for "lipidome" analysis. , 2001, Biochemical and biophysical research communications.

[20]  V. Zabrouskov,et al.  Analysis of plant phosphatidylcholines by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. , 2001, Rapid communications in mass spectrometry : RCM.

[21]  Jeffrey J. Jones,et al.  Investigation of MALDI-TOF and FT-MS techniques for analysis of Escherichia coli whole cells. , 2003, Analytical chemistry.

[22]  D. Sands,et al.  Methods in Phytobacteriology , 1990 .

[23]  C. Fenselau,et al.  Constant neutral loss scanning for the characterization of bacterial phospholipids desorbed by fast atom bombardment. , 1988, Analytical chemistry.

[24]  C. Enke,et al.  Direct determination of phospholipid structures in microorganisms by fast atom bombardment triple quadrupole mass spectrometry. , 1991, Analytical chemistry.

[25]  Hao,et al.  Electrospray ionization multiple-stage tandem mass spectrometric analysis of diglycosyldiacylglycerol glycolipids from the bacteria Bacillus pumilus. , 1999, Rapid communications in mass spectrometry : RCM.

[26]  J. Marto,et al.  Structural characterization of phospholipids by matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry. , 1995, Analytical chemistry.

[27]  R. DuBois,et al.  Targeted lipidomics using electron capture atmospheric pressure chemical ionization mass spectrometry. , 2003, Rapid communications in mass spectrometry : RCM.

[28]  A. Madonna,et al.  Rapid analysis of intact phospholipids from whole bacterial cells by matrix-assisted laser desorption/ionization mass spectrometry combined with on-probe sample pretreatment. , 2002, Rapid communications in mass spectrometry : RCM.

[29]  B. V. Baar.  Characterisation of bacteria by matrix-assisted laser desorption/ionisation and electrospray mass spectrometry. , 2000 .