Glycerophospholipid prediction

Description

Glycerophospholipids are compounds with a well-defined structure (see http://en.wikipedia.org/wiki/Glycerophospholipid). This method calculates all possible m/z values of single-charged ions of phospholipids according to given restrictions. If a peak with any of these m/z values is present in the peak list, it is identified as the predicted phospholipid peak. Retention time is not considered in this method.

Method parameters

Type of lipids
Selection of glycerophospholipis to consider
Minimum fatty acid length
Minimum length of the fatty acid chain
Maximum fatty acid length
Maximum length of the fatty acid chain
Maximum number of double bonds
Maximum number of double bonds in one fatty acid chain
m/z tolerance
Maximum allowed m/z difference
Ionization method
Type of ion used to calculate the ionized mass