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J Am Soc Mass Spectrom

Title:		Cross Platform Analysis of Volatile Organic Compounds Using Selected Ion Flow Tube and Proton-Transfer-Reaction Mass Spectrometry
Author(s):		Lin GP; Vadhwana B; Belluomo I; Boshier PR; Spanel P; Hanna GB;
Address:		"Department of Surgery and Cancer, Imperial College London, St. Mary's Hospital, London W2 1PE, United Kingdom. Division of Colon and Rectal Surgery, Chang Gung Memorial Hospital, Chang Gung University, Tao-Yuan City 33305, Taiwan. J. Heyrovsky Institute of Physical Chemistry of the Czech Academy of Sciences, Prague 182 23, Czech Republic"
Journal Title:		J Am Soc Mass Spectrom
Year:		2021
Volume:		20210408
Issue:		5
Page Number:		1215 - 1223
DOI:		10.1021/jasms.1c00027
ISSN/ISBN:		1879-1123 (Electronic) 1044-0305 (Linking)
Abstract:		"Volatile breath metabolites serve as potential disease biomarkers. Online mass spectrometry (MS) presents real-time quantification of breath volatile organic compounds (VOCs). The study aims to assess the relationship between two online analytical mass spectrometry techniques in the quantification of target breath metabolites: selected ion flow tube mass spectrometry (SIFT-MS) and proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS). The two following techniques were employed: (i) direct injection with bag sampling using SIFT-MS and PTR-ToF-MS and (ii) direct injection and thermal desorption (TD) tube comparison using PTR-ToF-MS. The concentration of abundant breath metabolites, acetone and isoprene, demonstrated a strong positive linear correlation between both mass spectrometry techniques (r = 0.97, r = 0.89, respectively; p < 0.001) and between direct injection and TD tube (r = 0.97, r = 0.92, respectively; p < 0.001) breath sampling techniques. This was reflected for the majority of short chain fatty acids and alcohols tested (r > 0.80, p < 0.001). Analyte concentrations were notably higher with the direct injection of a sampling bag compared to the TD method. All metabolites produced a high degree of agreement in the detection range of VOCs between SIFT-MS and PTR-ToF-MS, with the majority of compounds falling within 95% of the limits of agreement with Bland-Altman analysis. The cross platform analysis of exhaled breath demonstrates strong positive correlation coefficients, linear regression, and agreement in target metabolite detection rates between both breath sampling techniques. The study demonstrates the transferability of using data outputs between SIFT-MS and PTR-ToF-MS. It supports the implementation of a TD platform in multi-site studies for breath biomarker research in order to facilitate sample transport between clinics and the laboratory"
Keywords:		Acetone/analysis Adult Breath Tests/instrumentation/*methods Butadienes/analysis Female Hemiterpenes/analysis Humans Male Mass Spectrometry/instrumentation/*methods Volatile Organic Compounds/*analysis Sift-ms breath analysis direct injection thermal deso;
Notes:		"MedlineLin, Geng-Ping Vadhwana, Bhamini Belluomo, Ilaria Boshier, Piers R Spanel, Patrik Hanna, George B eng 2021/04/09 J Am Soc Mass Spectrom. 2021 May 5; 32(5):1215-1223. doi: 10.1021/jasms.1c00027. Epub 2021 Apr 8"