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Gas chromatography-mass spectrometry (GC-MS)-based global metabolomics requires complete chemical derivatization and matching of experimental spectra with those in various commercial or freely available databases in a high throughput manner.[1–6] Although several chemical methods have been developed for converting active functional groups in metabolites,[7, 8] the combination of methoxyamination and trimethylsilyation is one of the most widely used in global metabolomics studies.[6, 9] Recently, Agilent Technologies released the Fiehn GC-MS Metabolomics RTL (retention time locked) Library based on this derivatization approach. This library contains validated retention indices and spectra for 700 metabolites,[6] increasing the confidence of metabolite identifications in complex samples through the use of two independent parameters. However, multiple peaks could be formed from some specific molecules during the derivatization processes. Some of these peaks are partial TMS derivatives, while others are well-documented artifacts.[6, 10] |
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