Fast characterization of foodstuff by headspace mass spectrometry (HS-MS)

Pérès, Christophe; Begnaud, Frédéric; Eveleigh, Luc; Berdagué, Jean‐Louis

doi:10.1016/s0165-9936(03)01206-8

Cited by 42 publications

(15 citation statements)

References 37 publications

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“…Classification tasks are sometimes effected with a limited number of pertinent mass fragments, selected either from the most abundant mass fragments of the major peaks obtained in GC‐MS experiments conducted in parallel, or through chemometrics . These approaches using EI‐MS‐based e‐noses with quadrupole mass analysers were previously reviewed …”

Section: Introductionmentioning

confidence: 99%

Volatile compounds profiling by using proton transfer reaction‐time of flight‐mass spectrometry (PTR‐ToF‐MS). The case study of dark chocolates organoleptic differences

et al. 2019

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Direct‐injection mass spectrometry (DIMS) techniques have evolved into powerful methods to analyse volatile organic compounds (VOCs) without the need of chromatographic separation. Combined to chemometrics, they have been used in many domains to solve sample categorization issues based on volatilome determination. In this paper, different DIMS methods that have largely outperformed conventional electronic noses (e‐noses) in classification tasks are briefly reviewed, with an emphasis on food‐related applications. A particular attention is paid to proton transfer reaction mass spectrometry (PTR‐MS), and many results obtained using the powerful PTR‐time of flight‐MS (PTR‐ToF‐MS) instrument are reviewed. Data analysis and feature selection issues are also summarized and discussed. As a case study, a challenging problem of classification of dark chocolates that has been previously assessed by sensory evaluation in four distinct categories is presented. The VOC profiles of a set of 206 chocolate samples classified in the four sensory categories were analysed by PTR‐ToF‐MS. A supervised multivariate data analysis based on partial least squares regression‐discriminant analysis allowed the construction of a classification model that showed excellent prediction capability: 97% of a test set of 62 samples were correctly predicted in the sensory categories. Tentative identification of ions aided characterisation of chocolate classes. Variable selection using dedicated methods pinpointed some volatile compounds important for the discrimination of the chocolates. Among them, the CovSel method was used for the first time on PTR‐MS data resulting in a selection of 10 features that allowed a good prediction to be achieved. Finally, challenges and future needs in the field are discussed.

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Section: Introductionmentioning

confidence: 99%

Volatile compounds profiling by using proton transfer reaction‐time of flight‐mass spectrometry (PTR‐ToF‐MS). The case study of dark chocolates organoleptic differences

et al. 2019

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“…Non-separative approaches based on the direct coupling of a mass spectrometer to S-HS or D-HS extraction, in combination with chemometrics, are gaining increasing importance for the development of fast, economical methods for classification of samples, in particular for QC in the food field [76]. In this sort of strategy, volatile compounds present in the HS of a sample are directly introduced into the ionization source of the MS system.…”

Section: Hs-msmentioning

confidence: 99%

Volatile sampling by headspace techniques

Soria

García-Sarrió

Sanz

2015

TrAC Trends in Analytical Chemistry

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“…Thus headspace concentrations usually relate well to sensory properties of the food . As a consequence, direct rapid headspace techniques are commonly used in relation to characterising the sensory properties of food (Pérès et al, 2003). In the last decade, several non-chromatographic instrumental approaches that include, electronic nose with different types of chemical sensors (Hurst, 1999), direct coupling headspace-mass spectrometry (Pérès et al, 2003), or real-time monitoring using more recently developed techniques such as Atmospheric pressure chemical ionization mass spectrometry (APCI-MS) , proton transfer reaction mass spectrometry (PTR-MS) (Lindinger et al, 1998), selected ion flow tube mass spectrometry (SIFT-MS) (Davis & Mcewan, 2007) have been applied for volatile characterisation of food.…”

Section: Emerging Volatile Techniques Used To Characterise Food Authementioning

confidence: 99%

“…Alternatively, direct headspace techniques that involve introducing volatile compounds from the headspace of samples without chromatographic separation into the ionisation chamber of a mass spectrometer have enabled fast economical methods of characterisation (Peres et al, 2007;Pérès et al, 2003). In most cases this type of analysis consists of electron impact ionisation MS.…”

Section: The Evolution Of Real-time Ms Techniquesmentioning

confidence: 99%