High Resolution GC-Orbitrap-MS Metabolomics Using Both Electron Ionization and Chemical Ionization for Analysis of Human Plasma.

ABSTRACT: Gas chromatography-mass spectrometry (GC-MS) platforms are typically run in electron ionization (EI) mode for mass spectral matching and metabolite annotation. With the advent of high resolution mass spectrometry (HRMS), soft ionization techniques such as chemical ionization (CI) may provide additional coverage for compound identification. We evaluated NIST SRM 1950 pooled plasma reference sample using a HRGC-MS instrument [GC-Orbitrap-MS with electron ionization (EI), positive chemical ionization (PCI), and negative CI (NCI) capabilities] for metabolite annotation and quantification to assess the suitability of the platform for routine discovery metabolomics. Using both open source and vendor workflows, we validated the spectral matches with an in-house spectral library (Wake Forest CPM G

SUBMITTER: Misra BB 

PROVIDER: S-EPMC9701538 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature