Matlab Script for automated LC-MS/MS lipid analysis
LipMat script is a set of tools for automated LC-MS/MS phospholipid analysis. More information here: https://pubs.acs.org/doi/abs/10.1021/acsomega.9b03463
Scripts starting with P are for generating lipid libraries. Scripts starting with AA, AB, AC, and AD are core LipMat script, and they should be run in alphabetical sequence. More information is in header of each script.
Theoretical and experimental fragmentation of PC, PE ,PS ,PI , PA, PG, SM and CL lipids is collected from the following literature:
Byrdwell, W. C. & Perry, R. H. Liquid chromatography with dual parallel mass spectrometry and 31P nuclear magnetic resonance spectroscopy for analysis of sphingomyelin and dihydrosphingomyelin. I. Bovine brain and chicken egg yolk. J. Chromatogr. A 1133, 149–171 (2006).
Hsu, F. F. & Turk, J. Structural determination of sphingomyelin by tandem mass spectrometry with electrospray ionization. J. Am. Soc. Mass Spectrom. 11, 437–449 (2000).
Murphy, R. C., Fiedler, J. & Hevko, J. Analysis of nonvolatile lipids by mass spectrometry. Chem. Rev. 101, 479–526 (2001).
Pulfer, M. & Murphy, R. C. Electrospray mass spectrometry of phospholipids. Mass Spectrom. Rev. 22, 332–364 (2003).
Han, X. & Gross, R. W. Structural determination of picomole amounts of phospholipids via electrospray ionization tandem mass spectrometry. J. Am. Soc. Mass Spectrom. 6, 1202–1210 (1995).
Hsu, F.-F. & Turk, J. Characterization of cardiolipin from Escherichia coli by electrospray ionization with multiple stage quadrupole ion-trap mass spectrometric analysis of [M - 2H + Na]- ions. J. Am. Soc. Mass Spectrom. 17, 420–429 (2006).
Hsu, F. F. et al. Structural characterization of cardiolipin by tandem quadrupole and multiple-stage quadrupole ion-trap mass spectrometry with electrospray ionization. J. Am. Soc. Mass Spectrom. 16, 491–504 (2005).
Kochen, M. A. et al. Greazy: Open-Source Software for Automated Phospholipid Tandem Mass Spectrometry Identification. Anal. Chem. 88, 5733–5741 (2016).
Witting, M., Ruttkies, C., Neumann, S. & Schmitt-Kopplin, P. LipidFrag: Improving reliability of in silico fragmentation of lipids and application to the Caenorhabditis elegans lipidome. PLoS One 12, e0172311 (2017).
Script was built under Matlab 2017b.