getchain {pmd}R Documentation

Get reaction chain for specific mass to charge ratio

Description

Get reaction chain for specific mass to charge ratio

Usage

getchain(list, diff, mass, accuracy = 4, ...)

Arguments

list

a list with mzrt profile

diff

paired mass distance(s) of interests

mass

a specific mass for known compound or a vector of masses

accuracy

measured mass or mass to charge ratio in digits, default 4

...

other parameters for getpmd

Value

a list with mzrt profile and reaction chain dataframe

Examples

data(spmeinvivo)
# check metabolites of C18H39NO
pmd <- getchain(spmeinvivo,diff = c(2.02,14.02,15.99),mass = 286.3101)

[Package pmd version 0.1.5 Index]