Mass spectral fragmentation of trimethylsilylated small molecules
Abstract
Mass spectrometry-based untargeted metabolomics detects many peaks that cannot be identified. While advances have been made for automatic structure annotations in LC-electrospray-MS/MS, no open source solutions are available for hard electron ionization used in GC-MS. In metabolomics, most compounds bear moieties with acidic protons, for example, amino, hydroxyl, or carboxyl groups. Such functional groups increase the boiling points of...
Paper Details
Title
Mass spectral fragmentation of trimethylsilylated small molecules
Published Date
Aug 31, 2016
Journal
Volume
37
Issue
3
Pages
245 - 257
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