Selective reagent ion-time of flight-mass spectrometry study of six common monoterpenes

One of the most common volatile organic compounds (VOCs) group is monoterpenes. Monoterpenes share the molecular formula C10H16, they are usually cyclic and have a pleasant smell. The most common monoterpenes are limonene (present in citrus fruits) and α-pinene (present in conifers’ resin). Different monoterpenes have different chemical, biological and ecological properties thus it is experimentally very important to be able to differentiate between them in real time. Real time instruments such as Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-ToF-MS), offer a real time solution for monoterpene measurement but at the cost of selectivity resulting in all monoterpenes being seen at the same m/z. In this work we used Selective Reagent Ion-Time of Flight-Mass Spectrometry (SRI/PTR-ToF-MS) in order to explore the differences in ion branching when different ionizations (H3O+, NO+ and O2+) and different drift tube reduced field energies (E/N) were used. We report a comprehensive ion library with many unique features, characteristic for individual monoterpenes.

[1]  C. Mayhew,et al.  Proton Transfer Reaction Mass Spectrometry: Principles and Applications , 2014 .

[2]  M. Adams,et al.  PTR-MS analysis of reference and plant-emitted volatile organic compounds , 2007 .

[3]  H. Hakola,et al.  Chemodiversity of a Scots pine stand and implications for terpene air concentrations , 2012 .

[4]  M. Heal,et al.  Development of PTR-MS selectivity for structural isomers: monoterpenes as a case study , 2012 .

[5]  Tianshu Wang,et al.  Selected ion flow tube, SIFT, studies of the reactions of H3O+, NO+ and O2+ with eleven C10H16 monoterpenes , 2003 .

[6]  J. Gershenzon,et al.  Multiple stress factors and the emission of plant VOCs. , 2010, Trends in plant science.

[7]  S. Kellomäki,et al.  Monoterpene emission of a boreal Scots pine (Pinus sylvestris L.) forest , 2009 .

[8]  V. Gauci,et al.  Methods in plant foliar volatile organic compounds research1 , 2015, Applications in plant sciences.

[9]  R. Croteau,et al.  Simultaneous analysis of monoterpenes and diterpenoids of conifer oleoresin , 1993 .

[10]  Josep Peñuelas,et al.  BVOCs and global change. , 2010, Trends in plant science.

[11]  T. Märk,et al.  Distinguishing two isomeric mephedrone substitutes with selective reagent ionisation mass spectrometry (SRI-MS). , 2013, Journal of mass spectrometry : JMS.

[12]  Joshua S. Yuan,et al.  Smelling global climate change: mitigation of function for plant volatile organic compounds. , 2009, Trends in ecology & evolution.

[13]  C. N. Hewitt,et al.  Measurement of monoterpenes and related compounds by proton transfer reaction-mass spectrometry (PTR-MS) , 2003 .

[14]  T. Whitehouse,et al.  Volatile Biomarkers in Breath Associated With Liver Cirrhosis — Comparisons of Pre- and Post-liver Transplant Breath Samples , 2015, EBioMedicine.

[15]  Philipp Sulzer,et al.  Monoterpene separation by coupling proton transfer reaction time-of-flight mass spectrometry with fastGC , 2015, Analytical and Bioanalytical Chemistry.

[16]  David Smith,et al.  Selected ion flow tube mass spectrometry (SIFT-MS) for on-line trace gas analysis. , 2005, Mass spectrometry reviews.

[17]  Philipp Sulzer,et al.  An online ultra-high sensitivity Proton-transfer-reaction mass-spectrometer combined with switchable reagent ion capability (PTR + SRI − MS) , 2009 .

[18]  P. Monks,et al.  Proton-Transfer Reaction Mass Spectrometry , 2009 .

[19]  F. Biasioli,et al.  PTR-MS monitoring of VOCs and BVOCs in food science and technology , 2011 .

[20]  C. N. Hewitt,et al.  Effect of water vapour pressure on monoterpene measurements using proton transfer reaction-mass spectrometry (PTR-MS) , 2004 .

[21]  Jonathan Williams,et al.  Enantiomeric monoterpene emissions from natural and damaged Scots pine in a boreal coniferous forest measured using solid-phase microextraction and gas chromatography/mass spectrometry. , 2007, Journal of chromatography. A.

[22]  Jonathan Williams,et al.  Laboratory and field measurements of enantiomeric monoterpene emissions as a function of chemotype, light and temperature , 2013 .