Quantitative GC-MS Isotopologue Analysis

GC-MS data were evaluated with the software “GCMSsolution” from Shimadzu. Overall ¹³C-enrichments and isotopologue compositions were calculated by comparing with unlabeled samples using Excel scripts according to Ahmed et al. [46 (link)]: (https://www.uni-wuerzburg.de/forschung/spp1316/bioinformatics/isotopo/, accessed on 4 February 2022). All ¹³C-enrichment values were corrected for ¹³C-natural abundance. Cellular ¹³C-labeling experiments were performed at least twice; figures show the experimental averages with error bars denoting the range of data points.

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Grashei M., Biechl P., Schilling F, & Otto A.M. (2022). Conversion of Hyperpolarized [1-13C]Pyruvate in Breast Cancer Cells Depends on Their Malignancy, Metabolic Program and Nutrient Microenvironment. Cancers, 14(7), 1845.

Publication 2022

GCMSsolution

Cellular Gc ms

Corresponding Organization : Technical University of Munich

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Variable analysis

independent variables

Labeling conditions (e.g., 13C-labeled vs. unlabeled samples)

dependent variables

Overall 13C-enrichments
Isotopologue compositions

control variables

Natural 13C abundance (corrected for)

controls

Unlabeled samples used as controls for comparison with 13C-labeled samples

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