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(PDF) The Chemistry of Green and Roasted Coffee by Selectable 1D/2D Gas Chromatography Mass Spectrometry with Spectral Deconvolution | Albert Robbat - Academia.edu
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When coupled with the Ion Analytics software, GC/MS provides unmatched selectivity in the analysis of complex mixtures" /> <meta property="article:author" content="https://tufts.academia.edu/AlbertRobbat" /> <meta name="description" content="Gas chromatography/mass spectrometry (GC/MS) is a long-standing technique for the analysis of volatile organic compounds (VOCs). When coupled with the Ion Analytics software, GC/MS provides unmatched selectivity in the analysis of complex mixtures" /> <title>(PDF) The Chemistry of Green and Roasted Coffee by Selectable 1D/2D Gas Chromatography Mass Spectrometry with Spectral Deconvolution | Albert Robbat - Academia.edu</title> <link rel="canonical" href="https://www.academia.edu/90409488/The_Chemistry_of_Green_and_Roasted_Coffee_by_Selectable_1D_2D_Gas_Chromatography_Mass_Spectrometry_with_Spectral_Deconvolution" /> <script async src="https://www.googletagmanager.com/gtag/js?id=G-5VKX33P2DS"></script> <script> window.dataLayer = window.dataLayer || []; function gtag(){dataLayer.push(arguments);} gtag('js', new Date()); gtag('config', 'G-5VKX33P2DS', { cookie_domain: 'academia.edu', send_page_view: false, }); gtag('event', 'page_view', { 'controller': "single_work", 'action': "show", 'controller_action': 'single_work#show', 'logged_in': 'false', 'edge': 'unknown', // Send nil if there is no A/B test bucket, in case some records get logged // with missing data - that way we can distinguish between the two cases. // ab_test_bucket should be of the form <ab_test_name>:<bucket> 'ab_test_bucket': null, }) </script> <script> var $controller_name = 'single_work'; var $action_name = "show"; var $rails_env = 'production'; var $app_rev = '49879c2402910372f4abc62630a427bbe033d190'; var $domain = 'academia.edu'; var $app_host = "academia.edu"; var $asset_host = "academia-assets.com"; var $start_time = new Date().getTime(); var $recaptcha_key = "6LdxlRMTAAAAADnu_zyLhLg0YF9uACwz78shpjJB"; var $recaptcha_invisible_key = "6Lf3KHUUAAAAACggoMpmGJdQDtiyrjVlvGJ6BbAj"; var $disableClientRecordHit = false; </script> <script> window.require = { config: function() { return function() {} } } </script> <script> window.Aedu = window.Aedu || {}; window.Aedu.hit_data = null; window.Aedu.serverRenderTime = new Date(1732435758000); window.Aedu.timeDifference = new Date().getTime() - 1732435758000; </script> <script type="application/ld+json">{"@context":"https://schema.org","@type":"ScholarlyArticle","abstract":"Gas chromatography/mass spectrometry (GC/MS) is a long-standing technique for the analysis of volatile organic compounds (VOCs). When coupled with the Ion Analytics software, GC/MS provides unmatched selectivity in the analysis of complex mixtures and it reduces the reliance on high-resolution chromatography to obtain clean mass spectra. Here, we present an application of spectral deconvolution, with mass spectral subtraction, to identify a wide array of VOCs in green and roasted coffees. Automated sequential, two-dimensional GC-GC/MS of a roasted coffee sample produced the retention index and spectrum of 750 compounds. These initial analytes served as targets for subsequent coffee analysis by GC/MS. The workflow resulted in the quantitation of 511 compounds detected in two different green and roasted coffees. Of these, over 100 compounds serve as candidate differentiators of coffee quality, AAA vs. AA, as designated by the Coopedota cooperative in Costa Rica. Of these, 72 compounds...","author":[{"@context":"https://schema.org","@type":"Person","name":"Albert Robbat"}],"contributor":[],"dateCreated":"2022-11-09","dateModified":null,"datePublished":null,"headline":"The Chemistry of Green and Roasted Coffee by Selectable 1D/2D Gas Chromatography Mass Spectrometry with Spectral Deconvolution","inLanguage":"en","keywords":["Chemistry","Organic Chemistry","Chromatography","Mass Spectrometry","Gas Chromatography","Molecules","Gas Chromatography/mass Spectrometry","Roasting"],"locationCreated":null,"publication":"Molecules","publisher":{"@context":"https://schema.org","@type":"Organization","name":"MDPI AG"},"image":null,"thumbnailUrl":null,"url":"https://www.academia.edu/90409488/The_Chemistry_of_Green_and_Roasted_Coffee_by_Selectable_1D_2D_Gas_Chromatography_Mass_Spectrometry_with_Spectral_Deconvolution","sourceOrganization":[{"@context":"https://schema.org","@type":"EducationalOrganization","name":"tufts"}]}</script><link rel="stylesheet" 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{"work":{"id":90409488,"created_at":"2022-11-09T17:52:15.752-08:00","from_world_paper_id":219830973,"updated_at":"2023-04-22T01:18:02.502-07:00","_data":{"abstract":"Gas chromatography/mass spectrometry (GC/MS) is a long-standing technique for the analysis of volatile organic compounds (VOCs). When coupled with the Ion Analytics software, GC/MS provides unmatched selectivity in the analysis of complex mixtures and it reduces the reliance on high-resolution chromatography to obtain clean mass spectra. Here, we present an application of spectral deconvolution, with mass spectral subtraction, to identify a wide array of VOCs in green and roasted coffees. Automated sequential, two-dimensional GC-GC/MS of a roasted coffee sample produced the retention index and spectrum of 750 compounds. These initial analytes served as targets for subsequent coffee analysis by GC/MS. The workflow resulted in the quantitation of 511 compounds detected in two different green and roasted coffees. Of these, over 100 compounds serve as candidate differentiators of coffee quality, AAA vs. AA, as designated by the Coopedota cooperative in Costa Rica. Of these, 72 compounds...","publisher":"MDPI AG","publication_name":"Molecules"},"document_type":"paper","pre_hit_view_count_baseline":null,"quality":"high","language":"en","title":"The Chemistry of Green and Roasted Coffee by Selectable 1D/2D Gas Chromatography Mass Spectrometry with Spectral Deconvolution","broadcastable":true,"draft":null,"has_indexable_attachment":true,"indexable":true}}["work"]; window.loswp.workCoauthors = [35681884]; window.loswp.locale = "en"; window.loswp.countryCode = "SG"; window.loswp.cwvAbTestBucket = ""; window.loswp.designVariant = "ds_vanilla"; window.loswp.fullPageMobileSutdModalVariant = "full_page_mobile_sutd_modal"; window.loswp.useOptimizedScribd4genScript = false; window.loswp.appleClientId = 'edu.academia.applesignon';</script><script defer="" src="https://accounts.google.com/gsi/client"></script><div class="ds-loswp-container"><div class="ds-work-card--grid-container"><div class="ds-work-card--container js-loswp-work-card"><div class="ds-work-card--cover"><div class="ds-work-cover--wrapper"><div class="ds-work-cover--container"><button class="ds-work-cover--clickable js-swp-download-button" data-signup-modal="{"location":"swp-splash-paper-cover","attachmentId":93980698,"attachmentType":"pdf"}"><img alt="First page of “The Chemistry of Green and Roasted Coffee by Selectable 1D/2D Gas Chromatography Mass Spectrometry with Spectral Deconvolution”" class="ds-work-cover--cover-thumbnail" src="https://0.academia-photos.com/attachment_thumbnails/93980698/mini_magick20221110-1-5dn7r3.png?1668045845" /><img alt="PDF Icon" class="ds-work-cover--file-icon" src="//a.academia-assets.com/assets/single_work_splash/adobe.icon-574afd46eb6b03a77a153a647fb47e30546f9215c0ee6a25df597a779717f9ef.svg" /><div class="ds-work-cover--hover-container"><span class="material-symbols-outlined" style="font-size: 20px" translate="no">download</span><p>Download Free PDF</p></div><div class="ds-work-cover--ribbon-container">Download Free PDF</div><div class="ds-work-cover--ribbon-triangle"></div></button></div></div></div><div class="ds-work-card--work-information"><h1 class="ds-work-card--work-title">The Chemistry of Green and Roasted Coffee by Selectable 1D/2D Gas Chromatography Mass Spectrometry with Spectral Deconvolution</h1><div class="ds-work-card--work-authors ds-work-card--detail"><a class="ds-work-card--author js-wsj-grid-card-author ds2-5-body-md ds2-5-body-link" data-author-id="35681884" href="https://tufts.academia.edu/AlbertRobbat"><img alt="Profile image of Albert Robbat" class="ds-work-card--author-avatar" src="//a.academia-assets.com/images/s65_no_pic.png" />Albert Robbat</a></div><p class="ds-work-card--detail ds2-5-body-sm">Molecules</p><p class="ds-work-card--work-abstract ds-work-card--detail ds2-5-body-md">Gas chromatography/mass spectrometry (GC/MS) is a long-standing technique for the analysis of volatile organic compounds (VOCs). When coupled with the Ion Analytics software, GC/MS provides unmatched selectivity in the analysis of complex mixtures and it reduces the reliance on high-resolution chromatography to obtain clean mass spectra. Here, we present an application of spectral deconvolution, with mass spectral subtraction, to identify a wide array of VOCs in green and roasted coffees. Automated sequential, two-dimensional GC-GC/MS of a roasted coffee sample produced the retention index and spectrum of 750 compounds. These initial analytes served as targets for subsequent coffee analysis by GC/MS. The workflow resulted in the quantitation of 511 compounds detected in two different green and roasted coffees. Of these, over 100 compounds serve as candidate differentiators of coffee quality, AAA vs. AA, as designated by the Coopedota cooperative in Costa Rica. Of these, 72 compounds...</p><div class="ds-work-card--button-container"><button class="ds2-5-button js-swp-download-button" data-signup-modal="{"location":"continue-reading-button--work-card","attachmentId":93980698,"attachmentType":"pdf","workUrl":"https://www.academia.edu/90409488/The_Chemistry_of_Green_and_Roasted_Coffee_by_Selectable_1D_2D_Gas_Chromatography_Mass_Spectrometry_with_Spectral_Deconvolution"}">See full PDF</button><button class="ds2-5-button ds2-5-button--secondary js-swp-download-button" data-signup-modal="{"location":"download-pdf-button--work-card","attachmentId":93980698,"attachmentType":"pdf","workUrl":"https://www.academia.edu/90409488/The_Chemistry_of_Green_and_Roasted_Coffee_by_Selectable_1D_2D_Gas_Chromatography_Mass_Spectrometry_with_Spectral_Deconvolution"}"><span class="material-symbols-outlined" style="font-size: 20px" translate="no">download</span>Download PDF</button></div></div></div></div><div data-auto_select="false" data-client_id="331998490334-rsn3chp12mbkiqhl6e7lu2q0mlbu0f1b" data-doc_id="93980698" data-landing_url="https://www.academia.edu/90409488/The_Chemistry_of_Green_and_Roasted_Coffee_by_Selectable_1D_2D_Gas_Chromatography_Mass_Spectrometry_with_Spectral_Deconvolution" data-login_uri="https://www.academia.edu/registrations/google_one_tap" data-moment_callback="onGoogleOneTapEvent" id="g_id_onload"></div><div class="ds-top-related-works--grid-container"><div class="ds-related-content--container ds-top-related-works--container"><h2 class="ds-related-content--heading">Related papers</h2><div class="ds-related-work--container js-wsj-grid-card" data-collection-position="0" data-entity-id="84258665" data-sort-order="default"><a class="ds-related-work--title js-wsj-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/84258665/Analysis_of_roasted_coffee_bean_volatiles_by_using_comprehensive_two_dimensional_gas_chromatography_time_of_flight_mass_spectrometry">Analysis of roasted coffee bean volatiles by using comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry</a><div class="ds-related-work--metadata"><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="43693854" href="https://independent.academia.edu/AlessandroCasilli">Alessandro Casilli</a></div><p class="ds-related-work--metadata ds2-5-body-xs">Journal of Chromatography A, 2004</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" data-signup-modal="{"location":"wsj-grid-card-download-pdf-modal","work_title":"Analysis of roasted coffee bean volatiles by using comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry","attachmentId":89344023,"attachmentType":"pdf","work_url":"https://www.academia.edu/84258665/Analysis_of_roasted_coffee_bean_volatiles_by_using_comprehensive_two_dimensional_gas_chromatography_time_of_flight_mass_spectrometry","alternativeTracking":true}"><span class="material-symbols-outlined" style="font-size: 18px" translate="no">download</span><span class="ds2-5-text-link__content">Download free PDF</span></button><a class="ds2-5-text-link ds2-5-text-link--inline js-wsj-grid-card-view-pdf" href="https://www.academia.edu/84258665/Analysis_of_roasted_coffee_bean_volatiles_by_using_comprehensive_two_dimensional_gas_chromatography_time_of_flight_mass_spectrometry"><span class="ds2-5-text-link__content">View PDF</span><span class="material-symbols-outlined" style="font-size: 18px" translate="no">chevron_right</span></a></div></div><div class="ds-related-work--container js-wsj-grid-card" data-collection-position="1" data-entity-id="22243794" data-sort-order="default"><a class="ds-related-work--title js-wsj-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/22243794/Reliable_characterization_of_coffee_bean_aroma_profiles_by_automated_headspace_solid_phase_microextraction_gas_chromatography_mass_spectrometry_with_the_support_of_a_dual_filter_mass_spectra_library">Reliable characterization of coffee bean aroma profiles by automated headspace solid phase microextraction-gas chromatography-mass spectrometry with the support of a dual-filter mass spectra library</a><div class="ds-related-work--metadata"><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="43616243" href="https://unime.academia.edu/LuigiMondello">Luigi Mondello</a></div><p class="ds-related-work--metadata ds2-5-body-xs">Journal of Separation Science, 2005</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" data-signup-modal="{"location":"wsj-grid-card-download-pdf-modal","work_title":"Reliable characterization of coffee bean aroma profiles by automated headspace solid phase microextraction-gas chromatography-mass spectrometry with the support of a dual-filter mass spectra library","attachmentId":42894930,"attachmentType":"pdf","work_url":"https://www.academia.edu/22243794/Reliable_characterization_of_coffee_bean_aroma_profiles_by_automated_headspace_solid_phase_microextraction_gas_chromatography_mass_spectrometry_with_the_support_of_a_dual_filter_mass_spectra_library","alternativeTracking":true}"><span class="material-symbols-outlined" style="font-size: 18px" translate="no">download</span><span class="ds2-5-text-link__content">Download free PDF</span></button><a class="ds2-5-text-link ds2-5-text-link--inline js-wsj-grid-card-view-pdf" href="https://www.academia.edu/22243794/Reliable_characterization_of_coffee_bean_aroma_profiles_by_automated_headspace_solid_phase_microextraction_gas_chromatography_mass_spectrometry_with_the_support_of_a_dual_filter_mass_spectra_library"><span class="ds2-5-text-link__content">View PDF</span><span class="material-symbols-outlined" style="font-size: 18px" translate="no">chevron_right</span></a></div></div><div class="ds-related-work--container js-wsj-grid-card" data-collection-position="2" data-entity-id="87128278" data-sort-order="default"><a class="ds-related-work--title js-wsj-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/87128278/Improved_detection_of_key_odourants_in_Arabica_coffee_using_gas_chromatography_olfactometry_in_combination_with_low_energy_electron_ionisation_gas_chromatography_quadrupole_time_of_flight_mass_spectrometry">Improved detection of key odourants in Arabica coffee using gas chromatography-olfactometry in combination with low energy electron ionisation gas chromatography-quadrupole time-of-flight mass spectrometry</a><div class="ds-related-work--metadata"><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="229026875" href="https://independent.academia.edu/benjaminLassabliere">benjamin Lassabliere</a></div><p class="ds-related-work--metadata ds2-5-body-xs">Food Chemistry, 2019</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" data-signup-modal="{"location":"wsj-grid-card-download-pdf-modal","work_title":"Improved detection of key odourants in Arabica coffee using gas chromatography-olfactometry in combination with low energy electron ionisation gas chromatography-quadrupole time-of-flight mass spectrometry","attachmentId":91427649,"attachmentType":"pdf","work_url":"https://www.academia.edu/87128278/Improved_detection_of_key_odourants_in_Arabica_coffee_using_gas_chromatography_olfactometry_in_combination_with_low_energy_electron_ionisation_gas_chromatography_quadrupole_time_of_flight_mass_spectrometry","alternativeTracking":true}"><span class="material-symbols-outlined" style="font-size: 18px" translate="no">download</span><span class="ds2-5-text-link__content">Download free PDF</span></button><a class="ds2-5-text-link ds2-5-text-link--inline js-wsj-grid-card-view-pdf" href="https://www.academia.edu/87128278/Improved_detection_of_key_odourants_in_Arabica_coffee_using_gas_chromatography_olfactometry_in_combination_with_low_energy_electron_ionisation_gas_chromatography_quadrupole_time_of_flight_mass_spectrometry"><span class="ds2-5-text-link__content">View PDF</span><span class="material-symbols-outlined" style="font-size: 18px" translate="no">chevron_right</span></a></div></div><div class="ds-related-work--container js-wsj-grid-card" data-collection-position="3" data-entity-id="102468198" data-sort-order="default"><a class="ds-related-work--title js-wsj-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/102468198/Volatile_Compounds_in_Green_and_Roasted_Arabica_Specialty_Coffee_Discrimination_of_Origins_Post_Harvesting_Processes_and_Roasting_Level">Volatile Compounds in Green and Roasted Arabica Specialty Coffee: Discrimination of Origins, Post-Harvesting Processes, and Roasting Level</a><div class="ds-related-work--metadata"><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="119153067" href="https://independent.academia.edu/MilenaLambri">Milena Lambri</a></div><p class="ds-related-work--metadata ds2-5-body-xs">Foods</p><p class="ds-related-work--abstract ds2-5-body-sm">The aroma of coffee is a complex mixture of more than 1000 compounds. The volatile compounds in green and roasted coffee were analyzed to detect several features related to quality, roasting level, origins, and the presence of specific defects. With respect to specialty coffee, the flavor profile and peculiarities of the aforementioned characteristics are even more relevant knowing the expectations of consumers to find, in a cup of coffee, unicity bestowed by its origin and post-harvesting processes. In this work, which dealt with 46 lots of specialty Arabica coffee, we used HS-SPME/GC–MS to detect the volatile compounds in green coffees together with those in the same coffees roasted at three different levels to identify whether differences in headspace composition were ascribable to the origin, the post-harvesting processes, and the roasting profiles. The main results are related to the discriminant power of the volatile compounds in green coffee, which are impacted by the origins...</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" data-signup-modal="{"location":"wsj-grid-card-download-pdf-modal","work_title":"Volatile Compounds in Green and Roasted Arabica Specialty Coffee: Discrimination of Origins, Post-Harvesting Processes, and Roasting Level","attachmentId":102730621,"attachmentType":"pdf","work_url":"https://www.academia.edu/102468198/Volatile_Compounds_in_Green_and_Roasted_Arabica_Specialty_Coffee_Discrimination_of_Origins_Post_Harvesting_Processes_and_Roasting_Level","alternativeTracking":true}"><span class="material-symbols-outlined" style="font-size: 18px" translate="no">download</span><span class="ds2-5-text-link__content">Download free PDF</span></button><a class="ds2-5-text-link ds2-5-text-link--inline js-wsj-grid-card-view-pdf" href="https://www.academia.edu/102468198/Volatile_Compounds_in_Green_and_Roasted_Arabica_Specialty_Coffee_Discrimination_of_Origins_Post_Harvesting_Processes_and_Roasting_Level"><span class="ds2-5-text-link__content">View PDF</span><span class="material-symbols-outlined" style="font-size: 18px" translate="no">chevron_right</span></a></div></div><div class="ds-related-work--container js-wsj-grid-card" data-collection-position="4" data-entity-id="22243848" data-sort-order="default"><a class="ds-related-work--title js-wsj-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/22243848/Reliable_characterization_of_coffee_bean_aroma_profiles_by_automated_headspace_solid_phase_microextraction_gas_chromatography_mass_spectrometry_with_the_support_of_a_dual_filter_mass">Reliable characterization of coffee bean aroma profiles by automated headspace solid phase microextraction-gas chromatography-mass spectrometry with the support of a dual-filter mass</a><div class="ds-related-work--metadata"><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="43616243" href="https://unime.academia.edu/LuigiMondello">Luigi Mondello</a></div><p class="ds-related-work--metadata ds2-5-body-xs">2000</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" data-signup-modal="{"location":"wsj-grid-card-download-pdf-modal","work_title":"Reliable characterization of coffee bean aroma profiles by automated headspace solid phase microextraction-gas chromatography-mass spectrometry with the support of a dual-filter mass","attachmentId":42894856,"attachmentType":"pdf","work_url":"https://www.academia.edu/22243848/Reliable_characterization_of_coffee_bean_aroma_profiles_by_automated_headspace_solid_phase_microextraction_gas_chromatography_mass_spectrometry_with_the_support_of_a_dual_filter_mass","alternativeTracking":true}"><span class="material-symbols-outlined" style="font-size: 18px" translate="no">download</span><span class="ds2-5-text-link__content">Download free PDF</span></button><a class="ds2-5-text-link ds2-5-text-link--inline js-wsj-grid-card-view-pdf" href="https://www.academia.edu/22243848/Reliable_characterization_of_coffee_bean_aroma_profiles_by_automated_headspace_solid_phase_microextraction_gas_chromatography_mass_spectrometry_with_the_support_of_a_dual_filter_mass"><span class="ds2-5-text-link__content">View PDF</span><span class="material-symbols-outlined" style="font-size: 18px" translate="no">chevron_right</span></a></div></div><div class="ds-related-work--container js-wsj-grid-card" data-collection-position="5" data-entity-id="37315166" data-sort-order="default"><a class="ds-related-work--title js-wsj-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/37315166/Variability_of_single_bean_coffee_volatile_compounds_of_Arabica_and_robusta_roasted_coffees_analysed_by_SPME_GC_MS">Variability of single bean coffee volatile compounds of Arabica and robusta roasted coffees analysed by SPME-GC-MS</a><div class="ds-related-work--metadata"><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="4127950" href="https://nottingham.academia.edu/NicolaCaporaso">Nicola Caporaso</a></div><p class="ds-related-work--abstract ds2-5-body-sm">We report on the analysis of volatile compounds by SPME-GC-MS for individual roasted coffee beans. The aim was to understand the relative abundance and variability of volatile compounds between individual roasted coffee beans at constant roasting conditions. Twenty-five batches of Arabica and robusta species were sampled from 13 countries, and 10 single coffee beans randomly selected from each batch were individually roasted in a fluidised-bed roaster at 210 °C for 3 min. High variability (CV = 14.0–53.3%) of 50 volatile compounds in roasted coffee was obtained within batches (10 beans per batch). Phenols and heterocyclic nitrogen compounds generally had higher intra-batch variation, while ketones were the most uniform compounds (CV < 20%). The variation between batches was much higher, with the CV ranging from 15.6 to 179.3%. The highest variation was observed for 2,3-butanediol, 3-ethylpyridine and hexanal. It was also possible to build classification models based on geographical origin, obtaining 99.5% and 90.8% accuracy using LDA or MLR classifiers respectively, and classification between Arabica and robusta beans. These results give further insight into natural variation of coffee aroma and could be used to obtain higher quality and more consistent final products. Our results suggest that coffee volatile concentration is also influenced by other factors than simply the roasting degree, especially green coffee composition, which is in turn influenced by the coffee species, geographical origin, ripening stage and pre-and post-harvest processing.</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" data-signup-modal="{"location":"wsj-grid-card-download-pdf-modal","work_title":"Variability of single bean coffee volatile compounds of Arabica and robusta roasted coffees analysed by SPME-GC-MS","attachmentId":57271661,"attachmentType":"pdf","work_url":"https://www.academia.edu/37315166/Variability_of_single_bean_coffee_volatile_compounds_of_Arabica_and_robusta_roasted_coffees_analysed_by_SPME_GC_MS","alternativeTracking":true}"><span class="material-symbols-outlined" style="font-size: 18px" translate="no">download</span><span class="ds2-5-text-link__content">Download free PDF</span></button><a class="ds2-5-text-link ds2-5-text-link--inline js-wsj-grid-card-view-pdf" href="https://www.academia.edu/37315166/Variability_of_single_bean_coffee_volatile_compounds_of_Arabica_and_robusta_roasted_coffees_analysed_by_SPME_GC_MS"><span class="ds2-5-text-link__content">View PDF</span><span class="material-symbols-outlined" style="font-size: 18px" translate="no">chevron_right</span></a></div></div><div class="ds-related-work--container js-wsj-grid-card" data-collection-position="6" data-entity-id="112494113" data-sort-order="default"><a class="ds-related-work--title js-wsj-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/112494113/Analysis_of_volatile_compounds_of_Espresso_coffee_and_powdered_samples_by_HE_SPME_GC_MS">Analysis of volatile compounds of Espresso coffee and powdered samples by HE-SPME-GC/MS</a><div class="ds-related-work--metadata"><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="121598907" href="https://independent.academia.edu/adrianafarah1">adriana farah</a></div><p class="ds-related-work--metadata ds2-5-body-xs">2010</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" data-signup-modal="{"location":"wsj-grid-card-download-pdf-modal","work_title":"Analysis of volatile compounds of Espresso coffee and powdered samples by HE-SPME-GC/MS","attachmentId":109707759,"attachmentType":"pdf","work_url":"https://www.academia.edu/112494113/Analysis_of_volatile_compounds_of_Espresso_coffee_and_powdered_samples_by_HE_SPME_GC_MS","alternativeTracking":true}"><span class="material-symbols-outlined" style="font-size: 18px" translate="no">download</span><span class="ds2-5-text-link__content">Download free PDF</span></button><a class="ds2-5-text-link ds2-5-text-link--inline js-wsj-grid-card-view-pdf" href="https://www.academia.edu/112494113/Analysis_of_volatile_compounds_of_Espresso_coffee_and_powdered_samples_by_HE_SPME_GC_MS"><span class="ds2-5-text-link__content">View PDF</span><span class="material-symbols-outlined" style="font-size: 18px" translate="no">chevron_right</span></a></div></div><div class="ds-related-work--container js-wsj-grid-card" data-collection-position="7" data-entity-id="5294314" data-sort-order="default"><a class="ds-related-work--title js-wsj-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/5294314/Volatile_Organic_Compounds_in_Brewed_Kenyan_Arabica_Coffee_Genotypes_by_Solid_Phase_Extraction_Gas_Chromatography_Mass_Spectrometry">Volatile Organic Compounds in Brewed Kenyan Arabica Coffee Genotypes by Solid Phase Extraction Gas Chromatography Mass Spectrometry</a><div class="ds-related-work--metadata"><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="2239949" href="https://jkuat.academia.edu/fredrickmunga">fredrick munga</a></div><p class="ds-related-work--abstract ds2-5-body-sm">Besides its stimulatory effect, coffee is appreciated and/or consumed for its pleasing aroma, which is a key quality index. The objective of this study was to characterize the volatile organic compounds in brewed Kenyan Arabica coffee genotypes. Solid phase Extraction (SPE) technique was used for the extraction of the organic compounds in the brewed coffee, while characterization of the compounds was done by gas chromatography mass spectrometry (GC-MS). Various volatile organic compounds were identified and classified into alcohols, aldehydes, carboxylic acids, furans, ketones, pyrazines and pyrroles. Differences were observed in the chromatographic profiles of the eluents from the seven coffee genotypes evaluated. Compounds such as 2, 6-dimethylpyrazine,5-methyl-1H-pyrole-2-carboxyaldehyde,2-furanmethanolacetate, 4-Ethylcatechol, Methoxy-4-vinylphenol, 2,6-Dihydroxyacetophenone and Ionone, were found to be present in all the coffee genotypes. This study demonstrated the presence of appreciable levels of volatile organic compounds in the coffee brew of the genotypes studied with variations in the types and concentrations being observed among the genotypes.</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" data-signup-modal="{"location":"wsj-grid-card-download-pdf-modal","work_title":"Volatile Organic Compounds in Brewed Kenyan Arabica Coffee Genotypes by Solid Phase Extraction Gas Chromatography Mass Spectrometry","attachmentId":32463915,"attachmentType":"pdf","work_url":"https://www.academia.edu/5294314/Volatile_Organic_Compounds_in_Brewed_Kenyan_Arabica_Coffee_Genotypes_by_Solid_Phase_Extraction_Gas_Chromatography_Mass_Spectrometry","alternativeTracking":true}"><span class="material-symbols-outlined" style="font-size: 18px" translate="no">download</span><span class="ds2-5-text-link__content">Download free PDF</span></button><a class="ds2-5-text-link 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ds2-5-body-sm ds2-5-body-link" data-author-id="25586746" href="https://zhaw.academia.edu/ChahanYeretzian">Chahan Yeretzian</a></div><p class="ds-related-work--metadata ds2-5-body-xs">Analytical Chemistry, 2014</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" data-signup-modal="{"location":"wsj-grid-card-download-pdf-modal","work_title":"Insight into the Time-Resolved Extraction of Aroma Compounds during Espresso Coffee Preparation: Online Monitoring by PTR-ToF-MS","attachmentId":47400446,"attachmentType":"pdf","work_url":"https://www.academia.edu/10410560/Insight_into_the_Time_Resolved_Extraction_of_Aroma_Compounds_during_Espresso_Coffee_Preparation_Online_Monitoring_by_PTR_ToF_MS","alternativeTracking":true}"><span class="material-symbols-outlined" style="font-size: 18px" translate="no">download</span><span class="ds2-5-text-link__content">Download free PDF</span></button><a class="ds2-5-text-link ds2-5-text-link--inline js-wsj-grid-card-view-pdf" href="https://www.academia.edu/10410560/Insight_into_the_Time_Resolved_Extraction_of_Aroma_Compounds_during_Espresso_Coffee_Preparation_Online_Monitoring_by_PTR_ToF_MS"><span class="ds2-5-text-link__content">View PDF</span><span class="material-symbols-outlined" style="font-size: 18px" translate="no">chevron_right</span></a></div></div><div class="ds-related-work--container js-wsj-grid-card" data-collection-position="9" data-entity-id="22243806" data-sort-order="default"><a class="ds-related-work--title js-wsj-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/22243806/Comprehensive_multidimensional_GC_for_the_characterization_of_roasted_coffee_beans">Comprehensive multidimensional GC for the characterization of roasted coffee beans</a><div class="ds-related-work--metadata"><a class="js-wsj-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="43616243" href="https://unime.academia.edu/LuigiMondello">Luigi Mondello</a></div><p class="ds-related-work--metadata ds2-5-body-xs">Journal of Separation Science, 2004</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" data-signup-modal="{"location":"wsj-grid-card-download-pdf-modal","work_title":"Comprehensive multidimensional GC for the characterization of roasted coffee beans","attachmentId":42894936,"attachmentType":"pdf","work_url":"https://www.academia.edu/22243806/Comprehensive_multidimensional_GC_for_the_characterization_of_roasted_coffee_beans","alternativeTracking":true}"><span class="material-symbols-outlined" style="font-size: 18px" translate="no">download</span><span class="ds2-5-text-link__content">Download free PDF</span></button><a class="ds2-5-text-link ds2-5-text-link--inline js-wsj-grid-card-view-pdf" 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You can download the paper by clicking the button above.</p></div></div></div></div><div class="ds-sidebar--container js-work-sidebar"><div class="ds-related-content--container"><h2 class="ds-related-content--heading">Related papers</h2><div class="ds-related-work--container js-related-work-sidebar-card" data-collection-position="0" data-entity-id="10410526" data-sort-order="default"><a class="ds-related-work--title js-related-work-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/10410526/Liquid_air_partitioning_of_volatile_compounds_in_coffee_dynamic_measurements_using_proton_transfer_reaction_mass_spectrometry">Liquid–air partitioning of volatile compounds in coffee: dynamic measurements using proton-transfer-reaction mass spectrometry</a><div class="ds-related-work--metadata"><a class="js-related-work-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="25586746" href="https://zhaw.academia.edu/ChahanYeretzian">Chahan Yeretzian</a></div><p 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js-related-work-sidebar-card" data-collection-position="16" data-entity-id="10410531" data-sort-order="default"><a class="ds-related-work--title js-related-work-grid-card-title ds2-5-body-md ds2-5-body-link" href="https://www.academia.edu/10410531/Real_Time_Monitoring_of_4_Vinylguaiacol_Guaiacol_and_Phenol_during_Coffee_Roasting_by_Resonant_Laser_Ionization_Time_of_Flight_Mass_Spectrometry">Real-Time Monitoring of 4-Vinylguaiacol, Guaiacol, and Phenol during Coffee Roasting by Resonant Laser Ionization Time-of-Flight Mass Spectrometry</a><div class="ds-related-work--metadata"><a class="js-related-work-grid-card-author ds2-5-body-sm ds2-5-body-link" data-author-id="25586746" href="https://zhaw.academia.edu/ChahanYeretzian">Chahan Yeretzian</a></div><p class="ds-related-work--metadata ds2-5-body-xs">Journal of Agricultural and Food Chemistry, 2003</p><div class="ds-related-work--ctas"><button class="ds2-5-text-link ds2-5-text-link--inline js-swp-download-button" 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