# Direct-Injection Mass Spectrometry (DIMS) for the analysis of aroma compounds

Jean-Luc Le Quéré

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## To cite this version:

Jean-Luc Le Quéré. Direct-Injection Mass Spectrometry (DIMS) for the analysis of aroma compounds. Journées françaises de Spectrométrie de Masse et Analyse Protéomique (SMAP 2019), Sep 2019, Strasbourg, France. 1 p. [hal-02785859](https://hal.inrae.fr/hal-02785859)

HAL Id: [hal-02785859](https://hal.inrae.fr/hal-02785859)

https://hal.inrae.fr/hal-02785859

Submitted on 4 Jun 2020

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Abstracts should be submitted in english

Direct-Injection Mass Spectrometry (DIMS) for the analysis of aroma compounds

Direct-injection mass spectrometry (DIMS) techniques have evolved into powerful methods to analyse volatile organic compounds (VOCs) without the need of chromatographic separation. In food-related applications, they have been used as on-line techniques for monitoring processes, quantification of VOCs, aroma release studies, profiling and fingerprinting foodstuffs. Combined to chemometrics, they have been used to solve sample categorization issues based on volatilome determination. They have also been used for real-time in-vivo aroma release experiments, in a method known as breath-by-breath analysis or the "nosespace" technique [1].

Starting with the notion of MS-based electronic nose, this presentation will be essentially devoted to on-line chemical ionization MS (CI-MS) methods: atmospheric pressure chemical ionization MS (APCI-MS), selected ion flow tube MS (SIFT-MS), and proton transfer reaction MS (PTR-MS).

For years, APCI-MS has been the reference technique for *in-vitro* and *in-vivo* monitoring of flavour compounds. Some examples of the early work [1, 2] and from our own developments [3] will be presented. SIFT-MS has been used extensively to study the chemistry of ion-molecule reactions, and determining k-rate coefficients. SIFT-MS has also found practical analytical use in breath analyses and determination of biomarkers [4]. Recent improvement of the sensitivity in reduced size instruments has allowed worth mentioning studies relating aroma analyses.

A special attention will be paid to PTR-MS, and particularly to the powerful PTR-time of flight-MS (PTR-ToF-MS) instrument. Recent results obtained by our group will be presented for *in-vitro* (profiling dark chocolates with different organoleptic properties [5]), *ex-vivo* (real-time monitoring of volatile metabolites resulting from nasal odorant metabolism), and *in-vivo* (nosespace analyses and real-time monitoring of nasal metabolism) applications.

References

[1] A. J. Taylor, R. S. T. Linforth, B. A. Harvey and A. Blake. Atmospheric pressure chemical ionisation mass spectrometry for in vivo analysis of volatile flavour release. *Food Chem.*, 71, 327-338, (2000).

[2] A. J. Taylor and R. S. T. Linforth. Direct mass spectrometry of complex volatile and non-volatile flavour mixtures. *Int. J. Mass Spectrom.*, 223-224, 179-191, (2003).

[3] J. L. Le Quéré, I. Gierczynski and E. Sémon. An atmospheric pressure chemical ionization - ion-trap mass spectrometer for the on-line analysis of volatile compounds in foods: a tool for linking aroma release to aroma perception. *J. Mass Spectrom.*, 49(9), 918-928, (2014).

[4] P. Španěl and D. Smith. Progress in SIFT-MS: Breath analysis and other applications. *Mass Spectrom. Rev.*, 30(2), 236-267, (2011).

[5] Z. Deuscher, I. Andriot, E. Sémon, M. Repoux, S. Preys, J.-M. Roger, R. Boulanger, H. Labouré and J.-L. Le Quéré. Volatile compounds profiling by using Proton Transfer Reaction – Time of Flight – Mass Spectrometry (PTR-ToF-MS). The case study of dark chocolates organoleptic differences. *J. Mass Spectrom.*, 54(1), 92-119, (2019).

Keywords

Direct-injection mass spectrometry; on-line chemical ionization mass spectrometry; aroma