Find lipid class of metabolites base on referenced Kendrick mass defect

Source: R/mda.R

Find lipid class of metabolites base on referenced Kendrick mass defect

findlipid(list, mode = "pos")

Arguments

list

list with data as peaks list, mz, rt and group information, retention time should be in seconds

mode

'pos' for positive mode, 'neg' for negative mode and 'none' for neutral mass, only support [M+H] and [M-H] for each mode

Value

list list with dataframe with the lipid referenced Kendrick mass defect(RKMD) and logical for class

References

Method for the Identification of Lipid Classes Based on Referenced Kendrick Mass Analysis. Lerno LA, German JB, Lebrilla CB. Anal Chem. 2010 May 15;82(10):4236–45.

Examples

data(list)
RKMD <- findlipid(list)