Selected Ion Flow Tube-Mass Spectrometry (SIFT-MS) as an Alternative to Gas Chromatography/Mass Spectrometry (GC/MS) for the Analysis of Cyclohexanone and Cyclohexanol in Plasma

Abstract

Self-poisoning with professional agricultural pesticide products is responsible for about 20% of global suicide, with most cases occurring in South Asia and China. Treatment of severe poisoning involves long-term intensive clinical care and is often unsuccessful. Solvent co-formulants (such as cyclohexanone) also contribute to mortality themselves or via more toxic metabolic products (such as cyclohexanol). Faster detection of co-formulants could aid earlier identification of pesticide poisoning and faster intervention, reducing mortality. Conventional analysis of volatiles in blood uses headspace (HS)-GC/MS. This paper evaluates SIFT-MS, a direct MS technique that provides higher sample throughput than GC/MS, as a potential tool for cyclohexanone and cyclohexanol analysis in plasma. Both instruments were calibrated using a conventional approach prior to analysis of each porcine plasma sample on both instruments. Comparative data were evaluated using Bland–Altman plots, demonstrating that the techniques were in good agreement. Compared with GC/MS, SIFT-MS provides fourfold higher sample throughput and shows great promise as an alternative analytical tool.

Kinetics of reactions of NH4+ with some biogenic organic molecules and monoterpenes in helium and nitrogen carrier gases: A potential reagent ion for selected ion flow tube mass spectrometry

“…Further to this, H 3 O + associates with the N 2 carrier gas molecules giving H 3 O + N 2 adducts that rapidly react with H 2 O molecules present in humid analyte gases producing H 3 O + H 2 O hydrated ions, which can exceed count rates of the H 3 O + reagent ions, thus seriously complicating analysis. However, it must be noted that formation of these complicating cluster (adduct) ions can be minimised by heating the carrier gas to a suitable temperature, as is adopted in the Voice 200 SIFT‐MS instruments (Syft Technologies Limited, New Zealand) 49,50 . We have observed that NH 4 + ions are much more stable against collisional dissociation and they do not efficiently form NH 4 + N 2 adduct ions, which avoids the complication mentioned above.…”

“…This was undertaken whilst being cognizant that the proton affinity, However, it must be noted that formation of these complicating cluster (adduct) ions can be minimised by heating the carrier gas to a suitable temperature, as is adopted in the Voice 200 SIFT-MS instruments (Syft Technologies Limited, New Zealand). 49,50 We have observed that For the analysis of many VOCs, H 3 O + and NO + remain the best reagent ions for SIFT-MS analysis. The good news is also that H 3 O + , and indeed NO + , are already excellent reagent ions for monoterpenes in SIFT-MS. 42 Finally, studies involving the reactions of NH 4 + with other VOCs that have biological relevance will provide an extension to the kinetics library for analysis by SIFT-MS of biological fluids such as exhaled breath, urine headspace, emissions of VOCs from food and food products.…”

Robust Automated SIFT-MS Quantitation of Volatile Compounds in Air Using a Multicomponent Gas Standard

“…Example calibration curves from a headspace study of cyclohexanone and cyclohexanol are shown in Figure 4. 41…”

The potential of NO+ and O2+• in switchable reagent ion proton transfer reaction time‐of‐flight mass spectrometry

“…Both SIFT‐MS and PTR‐MS find numerous applications in several different research fields. Not only in atmospheric (de Gouw & Warneke, 2007; de Gouw, Goldan, et al 2003; de Gouw, Warneke, et al, 2003; Lehnert et al, 2020; Smith, 1996; Yuan et al, 2017; Zhao, Zhang, Fortner, et al, 2004) and environmental research (Biasioli et al, 2011; de Gouw & Warneke, 2007; Hayward et al, 2002; Smith et al, 1998, 2002), but also in fields like biology (Smith & Španěl, 2011; Yuan et al, 2014), food and flavor science (Biasioli et al, 2011; Fabris et al, 2010; Gallardo‐Escamilla et al, 2005; Sanchez del Pulgar et al, 2013; Yeretzian et al, 2003), agricultural science (Hastie et al, 2021), industry (Knighton et al, 2012) and medicine (Herbig et al, 2009; Jurschik et al, 2012; Lirk et al, 2004; Pugliese et al, 2019; Smith et al, 1999). The determination of trace gases is of high importance for the understanding of complex chemical processes.…”