High Throughput Identification and Quantification of Phospholipids in Complex Mixtures.

We present a fully automatic method, autoP, for identification and quantification of lipids in complex lipid mixtures from 1D P-31 and 2D H-1-P-31 NMR spectra. The (31)p chemical shifts in lipids are highly sensitive to experimental conditions such as pH and temperature, so the present method uses the much more unambiguous H-1 chemical shifts for assignment and P-31 intensities for quantification. By using 2D H-1-P-31 total correlation spectroscopy (TOCSY) correlation experiments, we demonstrate that approximately 20 different lipids can be automatically and unambiguously assigned and quantified by this automatic method.