iMS2Flux– a high–throughput processing tool for stable isotope labeled mass spectrometric data used for metabolic flux analysis

Table 1 Comparison of iMS2Flux and other available MS correction tools

Tool	MSCorr	CORRECTOR	iMS2Flux	FiatFlux	corrMatGen (OpenFLUX)
MS Data Extraction ^a	-	-	-	√	-
MS Data Quality Check	√	-	√	√	-
MS Data Correction Methods:
NA / NOI	√	√	√	√	√^e
OBM	-	-	√	√	-
Proton loss/gain	-	-	√/√	-	-
Output ready for use in Flux-Software:
13CFlux/ 13CFlux2	-	-	√/√	-	-
OpenFlux	-	-	√	-	√
FiatFlux	-	-	-	√	-
Model development & analysis	-	-	-	√	√
Quantification of isotope enrichment	-	√	√	-	-
High-throughput capability ^b	-	√	√	√	-
Multiple labeling substrate / isotope ^c	√/-	√/√	√/√	-	√/√
Analytical platform	GC	GC/LC	GC/LC	GC	GC/LC
additional software required ^d	proprietary	-	free	proprietary	proprietary
Full source code available	√	√	√	-	-

^a directly from chromatogram files like net-cdf files.
^b multiple compounds in multiple chromatograms.
^c the data processing is independent from the utilized labeling substrate (e.g. uniformly labeled or different positional labeling) and can be adapted to other elements then carbon (e.g. nitrogen, oxygen).
^d requires additional software in order to be used like MATLAB or PERL.
^e functional support is provided but not directly integrated.
Abbreviatons: NA - Natural Abundance; NOI - Naturally Occuring stable Isotopes; OBM - Original Biomass; GC - Gas Chromatography; LC - Liquid Chromatography.

ISSN: 1471-2105