getchain {pmd} | R Documentation |
Get reaction chain for specific mass to charge ratio
getchain(list, diff, mass, accuracy = 4, ...)
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 |
a list with mzrt profile and reaction chain dataframe
data(spmeinvivo)
# check metabolites of C18H39NO
pmd <- getchain(spmeinvivo,diff = c(2.02,14.02,15.99),mass = 286.3101)