Flow Injection-Traveling Wave Ion Mobility-Mass Spectrometry for Rapid Prostate Cancer Metabolomics.

MONGE, MARIA EUGENIA; ZANG, XIAOLING; FERNANDEZ, FACUNDO M; GAUL, DAVID A.

ANALYTICAL CHEMISTRY

AMER CHEMICAL SOC

Año: 2018 vol. 90 p. 13767 - 13774

0003-2700

Flow injection-traveling wave ion mobility-mass spectrometry (FI-TWIM-MS) wasapplied to the non-targeted metabolic profiling of serum extracts from 61 prostate cancer (PCa) patients and 42 controls with an analysis speed of 6 minutes per sample, including a 3-minute wash run. Comprehensive data mining of the mobility-mass domain was used to discriminate species with various charge states and filter matrix salt cluster ions. Specific criteria were developed to ensure correct grouping of adducts, in-source fragments, and impurities in the dataset. Endogenous metabolites were identified with high confidence using FI-TWIM-MS/MS and collision cross-section (CCS) matching with chemical standards or CCS databases. PCa patient samples were distinguished from control samples with good accuracies (88.3-89.3%), sensitivities (88.5-90.2%), and specificities (88.1%) using supervised multivariate classification methods. Although largely underutilized in metabolomics studies, FI-TWIM-MS proved advantageous in terms of analysis speed, separation of ions in complex mixtures, improved signal-to-noise ratio, and reduction of spectral congestion. Results from this study showcase the potential of FI-TWIM-MS as a high throughput metabolic profiling tool for large scale metabolomics studies.