Rapid fingerprinting of grape volatile composition using secondary electrospray ionization orbitrap mass spectrometry : a preliminary study of grape ripening

Farrell, Ross R.; Fahrentrapp, Johannes; García-Gómez, Diego; Martinez-Lozano Sinues, Pablo; Zenobi, Renato

doi:10.1016/j.foodcont.2017.04.041

Publication type:	Article in scientific journal
Type of review:	Peer review (publication)
Title:	Rapid fingerprinting of grape volatile composition using secondary electrospray ionization orbitrap mass spectrometry : a preliminary study of grape ripening
Authors:	Farrell, Ross R. Fahrentrapp, Johannes García-Gómez, Diego Martinez-Lozano Sinues, Pablo Zenobi, Renato
DOI:	10.1016/j.foodcont.2017.04.041
Published in:	Food Control
Volume(Issue):	81
Page(s):	107
Pages to:	122
Issue Date:	Nov-2017
Publisher / Ed. Institution:	Elsevier
ISSN:	0956-7135
Language:	English
Subjects:	IUNR; Wein
Subject (DDC):	634: Orchards, fruits and forestry
Abstract:	We present a rapid and sensitive method based on secondary electrospray ionization mass spectrometry (SESI-MS) for profiling volatile emissions from the intact berries of non-Muscat grape cultivars (Pinot Noir, Chardonnay and Sauvignon Blanc). The method does not require sample preparation or concentration steps. Grape volatiles were tentatively identified based on accurate mass, the related elemental composition and literature. Approximately 300 peaks were detected in positive ion mode, and fewer (70–100) in negative ion mode. We monitored changes in grape berry volatile composition during ripening to screen for potential ripeness markers and observed ten [M+H]+ peaks and two [M-H]- peaks that evolved in a significant linear trend (R2 ≥ 0.80, p < 0.05) for the combined data across all cultivars either increasing or decreasing in the final four weeks of ripening. Peaks assigned to C13-norisoprenoids and benzenoid derivatives have shown similar trends in previous studies using offline gas chromatography (GC) approaches. Principal components analysis showed that negative ion mode clearly separated each stage of grape ripeness, whilst positive ion mode only separated berries in the final stage, pre-harvest. From this preliminary study, we conclude that SESI-MS holds promise as a tool for rapid screening of grape volatiles. Some marker ions had no interfering peaks within a 1-Da window, such that they could be monitored with simple unit-resolution instruments in future studies. This implies that SESI-MS in combination with portable MS instrumentation has potential for field analysis where real-time analysis is key.
URI:	https://digitalcollection.zhaw.ch/handle/11475/4069
Fulltext version:	Published version
License (according to publishing contract):	Licence according to publishing contract
Departement:	Life Sciences and Facility Management
Organisational Unit:	Institute of Natural Resource Sciences (IUNR)
Appears in collections:	Publikationen Life Sciences und Facility Management

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Farrell, R. R., Fahrentrapp, J., García-Gómez, D., Martinez-Lozano Sinues, P., & Zenobi, R. (2017). Rapid fingerprinting of grape volatile composition using secondary electrospray ionization orbitrap mass spectrometry : a preliminary study of grape ripening. Food Control, 81, 107–122. https://doi.org/10.1016/j.foodcont.2017.04.041

Farrell, R.R. et al. (2017) ‘Rapid fingerprinting of grape volatile composition using secondary electrospray ionization orbitrap mass spectrometry : a preliminary study of grape ripening’, Food Control, 81, pp. 107–122. Available at: https://doi.org/10.1016/j.foodcont.2017.04.041.

R. R. Farrell, J. Fahrentrapp, D. García-Gómez, P. Martinez-Lozano Sinues, and R. Zenobi, “Rapid fingerprinting of grape volatile composition using secondary electrospray ionization orbitrap mass spectrometry : a preliminary study of grape ripening,” Food Control, vol. 81, pp. 107–122, Nov. 2017, doi: 10.1016/j.foodcont.2017.04.041.

FARRELL, Ross R., Johannes FAHRENTRAPP, Diego GARCÍA-GÓMEZ, Pablo MARTINEZ-LOZANO SINUES und Renato ZENOBI, 2017. Rapid fingerprinting of grape volatile composition using secondary electrospray ionization orbitrap mass spectrometry : a preliminary study of grape ripening. Food Control. November 2017. Bd. 81, S. 107–122. DOI 10.1016/j.foodcont.2017.04.041

Farrell, Ross R., Johannes Fahrentrapp, Diego García-Gómez, Pablo Martinez-Lozano Sinues, and Renato Zenobi. 2017. “Rapid Fingerprinting of Grape Volatile Composition Using Secondary Electrospray Ionization Orbitrap Mass Spectrometry : A Preliminary Study of Grape Ripening.” Food Control 81 (November): 107–22. https://doi.org/10.1016/j.foodcont.2017.04.041.

Farrell, Ross R., et al. “Rapid Fingerprinting of Grape Volatile Composition Using Secondary Electrospray Ionization Orbitrap Mass Spectrometry : A Preliminary Study of Grape Ripening.” Food Control, vol. 81, Nov. 2017, pp. 107–22, https://doi.org/10.1016/j.foodcont.2017.04.041.