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User Benefits Application News Fig. 1 GCMS-QP2050 and HS-20 NX Gas Chromatograph Mass Spectrometer and HS-20 NX Headspace Sampler Sample Preparation and Analysis Conditions Three types of commercially available apples (one type of Sun Fuji and two types of Jonagold) were prepared as samples. The apples were peeled, and the edible parts were grated using a grater. Each 1 g sample was placed into a 20 mL crimp-top vial for headspace GCMS, with five samples taken from each type of apple. To prevent changes in the components due to oxidation, the sampling was performed quickly while keeping the apples cool. The instrument configuration and analysis conditions are indicated in Table 1. The trap model of the HS-20 NX headspace sampler features an electronic cooling trap for concentrating the aroma components to enable high-sensitivity analysis. Consequently, compounds with various boiling points, ranging from low to high, can be concentrated and analyzed. Table 1 Instrument Configuration and Analysis Conditions Table 2 Identified Apple Aroma Components Introduction The aroma components of fruits are one of the key factors that determine their flavor and taste, serving as a significant criterion for consumers when choosing fruits. These aroma components vary based on the type and variety of the fruit, its ripeness, production area, and cultivation environment. The complex interplay of these factors shapes the unique flavors of individual fruits. Therefore, the analysis of aroma components plays an important role in quality control and the development of new fruit varieties. The compounds that make up the aroma of fruits are diverse, including both volatile and non-volatile components, and their numbers can range from dozens to hundreds. These components, which include alcohols, esters, ketones, and acids, possess various chemical structures and contribute to the aroma of the fruit. Gas chromatography mass spectrometry (GC/MS) offers an effective method for objectively evaluating the relationship between aroma and aroma components. This article describes an example of analyzing the aroma components in apples using a GCMS-QP2050 gas chromatograph mass spectrometer in combination with an HS- 20 NX headspace sampler (Fig. 1). The Smart Aroma Database enables straightforward qualitative analysis of aroma components. The HS-20 NX headspace sampler allows for high-sensitivity and convenient analysis of the aroma components in fresh apples. Multivariate analysis facilitates an objective evaluation of aroma component differences between samples. Analysis of Aroma Components in Apples Using the Smart Aroma Database Aya Urushizaki 1 , Masahiro Kawazoe 2 GC-MS GCMS-QP2050 Headspace Sampler HS-20 NX 1 Shimadzu Corporation, 2 Shimadzu Techno-Research, Inc. Results The results obtained were analyzed using the Smart Aroma Database, with a total of 20 aroma components identified from the three types of apples. The identified aroma components are indicated in Table 2. Instrument Configuration GC-MS: GCMS-QP2050 Headspace Sampler: HS-20 NX Column: InertCap Pure-Wax (30 m, 0.25 mm I.D., df = 0.25 µm) Cat No. 1010-68142 Database: Smart Aroma Database HS Mode: Trap (Tenax TA) Oven Temperature: 40 °C Sample Line Temperature: 100 °C Transfer Line Temperature: 100 °C Trap cooling Temperature: -10 °C Trap heating Temperature: 280 °C Trap waiting Temperature: 25 °C Vial Agitation: 5 times Multi-Injection: 5 times Vial Pressure: 80 kPa Dry Purge Pressure: 60 kPa Vial Heat-Retention Time: 30 min Vial Pressurization Time: 1 min Vial Pressurization Equilibrating Time: 0.1 min Loading Time: 1 min Loading Pressurization Time: 0.1 min Dry Purge Time: 1 min Injection Time: 3 min Needle Flush Time: 5 min Sample Amount: 1 g GC Carrier Gas: He Carrier Gas Control: Pressure Injection Mode: Split Split Ratio: 10 Column Oven Temperature Program: 50 °C (5 min) - (10 °C/min) - 250 °C (10 min) MS Ion Source Temperature: 200 °C Interface Temperature: 250 °C Ionization Mode: EI Measurement Mode: Scan (m/z 35 to 400) Event Time: 0.3 sec Ethyl acetate Butyl 2-methyl butyrate Propyl acetate 1-Pentanol Butyl acetate Hexyl acetate Hexanal 1-Hexanol Isobutanol trans-2-Hexen-1-ol 2-Methylbuthyl acetate Hexyl butyrate 1-Butanol Hexyl 2-methylbutanoate Pentyl acetate Sulcatol trans-2-Hexanal Estragole Buthyl butyrate alpha-Farnesene
Application News www.shimadzu.com/an/ Shimadzu Corporation © Shimadzu Corporation, 2026 For Research Use Only. Not for use in diagnostic procedures. This publication may contain references to products that are not available in your country. Please contact us to check the availability of these products in your country. The content of this publication shall not be reproduced, altered or sold for any commercial purpose without the written approval of Shimadzu. See https://www.shimadzu.com/about/trademarks/index.html for details. Third party trademarks and trade names may be used in this publication to refer to either the entities or their products/services, whether or not they are used with trademark symbol “TM” or “”. Shimadzu disclaims any proprietary interest in trademarks and trade names other than its own. The information contained herein is provided to you "as is" without warranty of any kind including without limitation warranties as to its accuracy or completeness. Shimadzu does not assume any responsibility or liability for any damage, whether direct or indirect, relating to the use of this publication. This publication is based upon the information available to Shimadzu on or before the date of publication, and subject to change without notice. Jonagold (B) Jonagold (A) Sun Fuji Sun Fuji Jonagold (A) Sun Fuji Sun Fuji Sun Fuji Sun Fuji Jonagold (A) Jonagold (A) Jonagold (A) Jonagold (A) Jonagold (B) Jonagold (B) Jonagold (B) Jonagold (B) Jonagold (B) First Edition: Feb. 2026 01-01016-EN Smart Aroma Database is a trademark of Shimadzu Corporation or its affiliated companies in Japan and/or other countries. Multivariate Analysis Three types of apples, with five samples each (for a total of 15 samples), were measured once. The obtained data were analyzed using SIMCA17 multivariate data analysis software (Informatics Co., Ltd.) to perform principal component analysis (PCA) and hierarchical clustering analysis. The PCA score plot (Fig. 2), loading plot (Fig. 3), and the dendrogram from the hierarchical clustering analysis (Fig. 4) are shown. Based on the PCA score plot, the contribution rate of the first principal component (horizontal axis) is 85.6 %, and the contribution rate of the second principal component (vertical axis) is 10.2 %, totaling 95.8 %. The clear separation of the plots by apple type indicates that there are differences in the aroma of the three varieties. Additionally, the results of the hierarchical clustering analysis show that Jonagold (A) and (B) have relatively similar compositions of aroma components. Table 3 shows the aroma components that are relatively abundant in Jonagold (A) along with the sensory information for each aroma component registered in the Smart Aroma Database. Conclusion We analyzed the aroma components of three types of commercially available apples using a GCMS-QP2050 gas chromatograph mass spectrometer. By utilizing an HS-20 NX headspace sampler, we were able to analyze the aroma components of fresh apples with high sensitivity, and the Smart Aroma Database made the process convenient. We consider that scientifically analyzing the differences in aroma components based on factors such as fruit type, variety, ripeness, production area, and cultivation environment is beneficial for quality management and the development of new varieties. Aroma components relatively abundant in Jonagold (A) Aroma Component Sensory Information Registered in the Smart Aroma Database Butyl acetate Pear 1-Butanol Medicine, fruit 1-Hexanol Resin, flower, green 2-Methylbutyl acetate Fruit Fig. 2 PCA Score Plot Fig. 3 PCA Loading Plot Fig. 4 Dendrogram of Hierarchical Clustering Table 3 Aroma Components Relatively Abundant in Jonagold (A) Jonagold (B) n4 Jonagold (B) n2 Jonagold (B) n5 Jonagold (B) n3 Jonagold (B) n1 Jonagold (B) Jonagold (A) Sun Fuji Sun Fuji n1 Sun Fuji n2 Sun Fuji n4 Jonagold (A) n1 Jonagold (A) n2 Jonagold (A) n3 Jonagold (A) n5 Sun Fuji n5 Sun Fuji n3 Jonagold (A) n4
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