Fatty Acid Metabolic Analysis
data list for elongation analysis.
data list for synthesis analysis.
Desaturation analysis of fatty acids.
Elongation analysis of fatty acids longer than 16 carbons.
calculate FA isotope distribution for elongated FAs using the quasi mu...
Fit FA isotope distribution with non-linear regression using multiple ...
estimate synthesis parameters.
External normalization using additional measures (i.e. protein levels)...
Fit FA isotope distribution with non-linear regression and calculate t...
Get formula and neutral mass for annotated compounds
Obtain the final results table from synthesis, elongation and desatura...
Obtain a summary results table.
generate starting points grid for elongation analysis.
generate starting points grid for synthesis analysis.
Plot results on a heatmap.
Extract FA data from an annotated msbatch.
mz match withing a vector of mz values
Data normalization using internal stardards.
Plot observed and predicted isotope distributions.
Plot FA EICs
Plot observed and predicted isotope distributions from the results obt...
read FA data from a csv file.
Remove incorrect FA annotations
Add missing FA annotations
FA annotation
substract blank samples.
Modify rt peak limits of annotated FAs
check S and E steps based on isotopologue distribution.
acetate combinations for M+0, M+1 and M+2.
correct data for natural abundance of 13C using accucor algorithm.
Modify FA annotations
Data correction for natural abundance of 13C and data normalization us...
run the elongation analysis.
run synthesis analysis.
Search FA isotopes
Search internal stardards.
Obtain result tables and heatmaps that help interpreting your results.
De novo synthesis analysis of fatty acids until 16 carbons.
calculate FA isotope distribution for newly synthesized FAs using the ...
Fatty acid metabolic analysis aimed to the estimation of FA import (I), de novo synthesis (S), fractional contribution of the 13C-tracers (D0, D1, D2), elongation (E) and desaturation (Des) based on mass isotopologue data.