“…Analytes were manually identified using the TagFinder plug-in of the TagFinder software (Luedemann et al, 2008) and the reference library mass spectra and retention indices housed in the Golm Metabolome Database (http://gmd.mpimp-golm.mpg.de; Kopka et al, 2005). Interpretation of gas chromatography-electron impact fragments derived in GC-TOF-MS analysis were performed based on previously published detailed EI fragmentation pattern of trimethylsilylated and methoxiaminated carbohydrates (DeJongh et al, 1969;Laine and Sweeley, 1973;MacLeod et al, 2001;Sanz et al, 2002) and amino acids (Abramson et al, 1974;Leimer et al, 1977). Furthermore, interpretation was supported by the mass shifts observed upon in vivo 13 C labeling (Huege et al, 2007).…”