Product ion calculation tool for Glycerophospholipids (negative ion mode)

([M-H]- ion for PE,PS,PG,PI,PA, [M+Cl]-/[M+acetate]-/[M+formate]- ion for PC)

Ion Headgroup sn1 sn2

Information sources:

Glycerophospholipid tandem mass spectra displayed in LIPID MAPS® Standards Library

Glycerophospholipid Identification and Quantitation by Electrospray Ionization Mass Spectrometry
Pavlina T. Ivanova, Stephen B. Milne, Mark O. Byrne, Yun Xiang, and H. Alex Brown.
Methods in Enzymology, (Academic Press) 432 21-57 (2007).

Electrospray mass spectrometry of phospholipids
Melissa Pulfer and Robert C. Murphy
Mass Spectrom. Rev. 22, 332-364 (2003).

Characterization of phosphatidylinositol, phosphatidylinositol- 4-phosphate, and phosphatidylinositol-4, 5-bisphosphate
by electrospray ionization tandem mass spectrometry: A mechanistic study.
Fong-Fu Hsu and John Turk
J. Am. Soc. Mass Spectrom. 11, 986-999 (2000).

Algorithm for Processing Raw Mass Spectrometric Data to Identify and Quantitate
Complex Lipid Molecular Species in Mixtures by Data-Dependent Scanning and Fragment Ion Database Searching
Haowei Song, Fong-Fu Hsu, Jack Ladenson, and John Turk
J Am Soc Mass Spectrom. 18(10) 1848-1858 (2007).