Enhanced Isotopic Ratio Outlier Analysis (IROA) Peak Detection and Identification with Ultra-High Resolution GC-Orbitrap/MS: Potential Application for Investigation of Model Organism Metabolomes

Enhanced Isotopic Ratio Outlier Analysis (IROA) Peak Detection and Identification with Ultra-High Resolution GC-Orbitrap/MS: Potential Application for Investigation of Model Organism Metabolomes

Identifying non-annotated peaks may have a significant impact on the understanding of biological systems. In silico methodologies have focused on ESI LC/MS/MS for identifying non-annotated MS peaks. In this study, we employed in silico methodology to develop an Isotopic Ratio Outlier Analysis (IROA)...

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Bibliographic Details
Main Authors: Yunping Qiu, Robyn D. Moir, Ian M. Willis, Suresh Seethapathy, Robert C. Biniakewitz, Irwin J. Kurland
Format: Article
Language:English
Published: MDPI AG 2018-01-01
Series:Metabolites
Subjects:
isotopic ratio outlier analysis
GC-Orbitrap/MS
positive chemical ionization
S. cerevisiae
in silico fragmentation
unknown metabolite identification
Online Access:http://www.mdpi.com/2218-1989/8/1/9

Internet

http://www.mdpi.com/2218-1989/8/1/9

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