Development of a GC/Quadrupole-Orbitrap Mass Spectrometer, Part I: Design and Characterization

作者：Peterson Amelia C; Hauschild Jan Peter; Quarmby Scott T; Krumwiede Dirk; Lange Oliver; Lemke Rachelle A S; Grosse Coosmann Florian; Horning Stevan; Donohue Timothy J; Westphall Michael S; Coon Joshua J^*; Griep Raming Jens

来源：Analytical Chemistry, 2014, 86(20): 10036-10043.

DOI：10.1021/ac5014767

Identification of unknown compounds is of critical importance in GC/MS applications (metabolomics, environmental toxin identification, sports doping, petroleomics, and biofuel analysis, among many others) and remains a technological challenge. Derivation of elemental composition is the first step to determining the identity of an unknown compound by MS, for which high accuracy mass and isotopomer distribution measurements are critical. Here, we report on the development of a dedicated, applications-grade GC/MS employing an Orbitrap mass analyzer, the GC/Quadrupole-Orbitrap. Built from the basis of the benchtop Orbitrap LC/MS, the GC/Quadrupole-Orbitrap maintains the performance characteristics of the Orbitrap, enables quadrupole-based isolation for sensitive analyte detection, and includes numerous analysis modalities to facilitate structural elucidation. We detail the design and construction of the instrument, discuss its key figures-of-merit, and demonstrate its performance for the characterization of unknown compounds and environmental toxins.

• 出版日期2014-10-21