Direct atmospheric pressure chemical ionisation ion trap mass spectrometry for aroma analysis: Speed, sensitivity and resolution of isobaric compounds

Abstract Atmospheric pressure chemical ionisation (APCI) sources were developed for real time analysis of volatile release from foods using an ion trap (IT) mass spectrometer (MS). Key objectives were spectral simplicity (minimal fragmentation), response time and signal to noise ratio. The benefits of APCI-IT-MS were assessed by comparing the performance for in vivo and headspace analyses with that obtained using APCI coupled to a quadrupole mass analyser. Using MS–MS, direct APCI-IT-MS was able to differentiate mixtures of some C6 and terpene isobaric aroma compounds. Resolution could be achieved for some compounds by monitoring specific secondary ions. Direct resolution was also achieved with two of the three isobaric compounds released from chocolate with time as the sample was eaten.

[1]  W. Davidson,et al.  Breath analysis by atmospheric pressure ionization mass spectrometry. , 1983, Analytical chemistry.

[2]  James W Hager,et al.  Recent trends in mass spectrometer development , 2003, Analytical and bioanalytical chemistry.

[3]  C. Delahunty,et al.  Analysis of volatile flavour compounds by Proton Transfer Reaction-Mass Spectrometry: fragmentation patterns and discrimination between isobaric and isomeric compounds , 2002 .

[4]  S. Collin,et al.  Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching. , 2002, Journal of agricultural and food chemistry.

[5]  P. Španěl,et al.  The novel selected-ion flow tube approach to trace gas analysis of air and breath. , 1996, Rapid communications in mass spectrometry : RCM.

[6]  D. I. Carroll,et al.  Atmospheric pressure ionization mass spectrometry. Corona discharge ion source for use in a liquid chromatograph-mass spectrometer-computer analytical system , 1975 .

[7]  P. Schieberle,et al.  Evaluation of Key Odorants in Milk Chocolate and Cocoa Mass by Aroma Extract Dilution Analyses , 1997 .

[8]  Andrew M. Taylor.  Physical chemistry of flavour , 1998 .

[9]  R. Linforth,et al.  Sensory perception is related to the rate of change of volatile concentration in-nose during eating of model gels. , 1999, Chemical senses.

[10]  Andrew M. Taylor,et al.  Direct mass spectrometry of complex volatile and non-volatile flavour mixtures , 2003 .

[11]  T. Märk,et al.  Breath-by-breath analysis of banana aroma by proton transfer reaction mass spectrometry , 2003 .

[12]  R. March.  An Introduction to Quadrupole Ion Trap Mass Spectrometry , 1997 .

[13]  T. Reiner,et al.  Atmospheric pressure chemical ionization mass spectrometry for the detection of tropospheric trace gases: the influence of clustering on sensitivity and precision , 2003 .

[14]  G. Reineccius,et al.  Use of humidified air in optimizing APCI-MS response in breath analysis. , 2000, Journal of agricultural and food chemistry.

[15]  Werner Lindinger,et al.  Proton transfer reaction mass spectrometry: on-line trace gas analysis at the ppb level , 1995 .

[16]  Andrew M. Taylor,et al.  Atmospheric pressure chemical ionisation mass spectrometry for in vivo analysis of volatile flavour release , 2000 .

[17]  M. Lee,et al.  Design and Optimization of a Corona Discharge Ion Source for Supercritical Fluid Chromatography Time-of-Flight Mass Spectrometry. , 1996, Analytical chemistry.

[18]  T. Hoffmann,et al.  On-line characterization of organic aerosols formed from biogenic precursors using atmospheric pressure chemical ionization mass spectrometry. , 2000, Analytical chemistry.

[19]  T. Hoffmann,et al.  On-line measurements of α-pinene ozonolysis products using an atmospheric pressure chemical ionisation ion-trap mass spectrometer , 2001 .

[20]  J. Sunner,et al.  Factors determining relative sensitivity of analytes in positive mode atmospheric pressure ionization mass spectrometry , 1988 .

[21]  R. Cooks,et al.  Direct analysis of semivolatile organic compounds in air by atmospheric pressure chemical ionization mass spectrometry. , 2001, Analytical chemistry.

[22]  R. Linforth,et al.  Simultaneous real-time measurements of mastication, swallowing, nasal airflow, and aroma release. , 2003, Journal of agricultural and food chemistry.

[23]  C. Yeretzian,et al.  Analysing the headspace of coffee by proton-transfer-reaction mass-spectrometry , 2003 .

[24]  A. Bruins.  Mass spectrometry with ion sources operating at atmospheric pressure , 1991 .