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