Fig. 2. A in Characterization of the PRODUCTION of ANTHOCYANIN PIGMENT 1 Arabidopsis dominant mutant using DLEMMA dual isotope labeling approach

Fig. 2. A representative example of metabolite identification using DLEMMA. (A) An isotopologue cluster was identified. All information necessary for metabolite identification such as retention time (RT), m/z values and number of labeled atoms, was depicted in a table (B) The raw MS data was first inspected (i.e. RT and m/z values) to validate the results obtained by the Miso software. (C) Elemental composition was then determined using the Masslynx software based on accurate unlabeled m/z and natural isotope patterns. Next, elemental compositions C15H16O9 was searched in SciFinder, and 108 possible candidates were found. The structural information obtained from the labeling patterns was then used to narrow down the number of candidates. Combined with MS/MS information, this metabolite was identified as sinapoyl malate.