#METABOLOMICS WORKBENCH adrianamacedo_20250814_102953 DATATRACK_ID:6282 STUDY_ID:ST004344 ANALYSIS_ID:AN007254 PROJECT_ID:PR002756 VERSION 1 CREATED_ON November 10, 2025, 6:13 pm #PROJECT PR:PROJECT_TITLE Chemical fingerprint of aroeira honey to support Geographical Indication area PR:PROJECT_TITLE expansion in Minas Gerais, Brazil PR:PROJECT_TYPE MS-based untargeted metabolomics study PR:PROJECT_SUMMARY The aroeira tree (Myracrodruon urundeuva) grows in the semi-arid region of Minas PR:PROJECT_SUMMARY Gerais, bearing flowers that yield a special honey with recognized therapeutic PR:PROJECT_SUMMARY properties. The objective of this study was to compare the chemical profile of PR:PROJECT_SUMMARY aroeira honey from the Vale do Jequitinhonha with the one of aroeira honey PR:PROJECT_SUMMARY produced in the Norte de Minas region. The chemical composition of the samples PR:PROJECT_SUMMARY was analyzed by an untargeted metabolomic approach using liquid PR:PROJECT_SUMMARY chromatography-mass spectrometry. Despite few specific compounds, the aroeira PR:PROJECT_SUMMARY honeys from these two mesoregions (Vale do Jequitinhonha and Norte de Minas) PR:PROJECT_SUMMARY could not be differentiated based on their chemical profiles. We conclude that PR:PROJECT_SUMMARY it is appropriate to consider aroeira honeys as chemically similar throughout PR:PROJECT_SUMMARY the semi-arid region of Minas Gerais. PR:INSTITUTE Federal University of Minas Gerais PR:DEPARTMENT Department of Chemistry PR:LABORATORY Laboratory of Analytical Chemistry and Mass Spectrometry PR:LAST_NAME Nori de Macedo PR:FIRST_NAME Adriana PR:ADDRESS Av. Antonio Carlos, 6627, Belo Horizonte, Minas Gerais, 31270901, Brazil PR:EMAIL adrianandm@gmail.com PR:PHONE +55-31-34095756 PR:FUNDING_SOURCE FAPEMIG, CNPq, CAPES, MCT/FINEP/CT-INFRA PR:PUBLICATIONS Silva, M. C. M. et al. Chemical fingerprints of the organic varietal aroeira PR:PUBLICATIONS honey supports Geographical Indication area expansion in Minas Gerais, Brazil. PR:PUBLICATIONS J. Apic. Res., 64(5), 1352-1361, https://doi.org/10.1080/00218839.2024.2430850 PR:CONTRIBUTORS Mayra Conceicao Meira Silva, Adriana Nori de Macedo, Olivia Brito de Oliveira PR:CONTRIBUTORS Moreira, Marcone Augusto Leal de Oliveira, Zong-Xin Ren, Andre Rodrigo Rech #STUDY ST:STUDY_TITLE The chemical profiles of Aroeira honey from Vale do Jequitinhonha and from Norte ST:STUDY_TITLE de Minas (Brazil) are largely similar ST:STUDY_TYPE untargeted metabolomics ST:STUDY_SUMMARY The aroeira tree (Myracrodruon urundeuva) grows in the semi-arid region of Minas ST:STUDY_SUMMARY Gerais, bearing flowers that yield a special honey with recognized therapeutic ST:STUDY_SUMMARY properties. The objective of this study was to compare the chemical profile of ST:STUDY_SUMMARY aroeira honey from the Vale do Jequitinhonha with the one of aroeira honey ST:STUDY_SUMMARY produced in the Norte de Minas region. The chemical composition of the samples ST:STUDY_SUMMARY was analyzed by an untargeted metabolomic approach using liquid ST:STUDY_SUMMARY chromatography-mass spectrometry. Despite few specific compounds, the aroeira ST:STUDY_SUMMARY honeys from these two mesoregions (Vale do Jequitinhonha and Norte de Minas) ST:STUDY_SUMMARY could not be differentiated based on their chemical profiles. We conclude that ST:STUDY_SUMMARY it is appropriate to consider aroeira honeys as chemically similar throughout ST:STUDY_SUMMARY the semi-arid region of Minas Gerais. ST:INSTITUTE Federal University of Minas Gerais ST:DEPARTMENT Department of Chemistry - UFMG ST:LABORATORY Laboratory of Analytical Chemistry and Mass Spectrometry ST:LAST_NAME Nori de Macedo ST:FIRST_NAME Adriana ST:ADDRESS Av. Antônio Carlos, 6627 ST:EMAIL adrianandm@gmail.com ST:PHONE +553134095756 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 48 ST:PUBLICATIONS Silva, M. C. M. et al. Chemical fingerprints of the organic varietal aroeira ST:PUBLICATIONS honey supports Geographical Indication area expansion in Minas Gerais, Brazil. ST:PUBLICATIONS J. Apic. Res. https://doi.org/10.1080/00218839.2024.2430850 #SUBJECT SU:SUBJECT_TYPE Food item #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - N41 Sample source:AroeiraHoney | Origin:North Weight_g=0.1996; RAW_FILE_NAME(Raw_file_name)=N41.mzXML SUBJECT_SAMPLE_FACTORS - N42 Sample source:AroeiraHoney | Origin:North Weight_g=0.2158; RAW_FILE_NAME(Raw_file_name)=N42.mzXML SUBJECT_SAMPLE_FACTORS - N43 Sample source:AroeiraHoney | Origin:North Weight_g=0.2019; RAW_FILE_NAME(Raw_file_name)=N43.mzXML SUBJECT_SAMPLE_FACTORS - N44 Sample source:AroeiraHoney | Origin:North Weight_g=0.1962; RAW_FILE_NAME(Raw_file_name)=N44.mzXML SUBJECT_SAMPLE_FACTORS - N45 Sample source:AroeiraHoney | Origin:North Weight_g=0.1948; RAW_FILE_NAME(Raw_file_name)=N45.mzXML SUBJECT_SAMPLE_FACTORS - N46 Sample source:AroeiraHoney | Origin:North Weight_g=0.2077; RAW_FILE_NAME(Raw_file_name)=N46.mzXML SUBJECT_SAMPLE_FACTORS - N47 Sample source:AroeiraHoney | Origin:North Weight_g=0.2084; RAW_FILE_NAME(Raw_file_name)=N47.mzXML SUBJECT_SAMPLE_FACTORS - N48 Sample source:AroeiraHoney | Origin:North Weight_g=0.1911; RAW_FILE_NAME(Raw_file_name)=N48.mzXML SUBJECT_SAMPLE_FACTORS - N49 Sample source:AroeiraHoney | Origin:North Weight_g=0.21; RAW_FILE_NAME(Raw_file_name)=N49.mzXML SUBJECT_SAMPLE_FACTORS - N50 Sample source:AroeiraHoney | Origin:North Weight_g=0.2096; RAW_FILE_NAME(Raw_file_name)=N50.mzXML SUBJECT_SAMPLE_FACTORS - N51 Sample source:AroeiraHoney | Origin:North Weight_g=0.2027; RAW_FILE_NAME(Raw_file_name)=N51.mzXML SUBJECT_SAMPLE_FACTORS - N52 Sample source:AroeiraHoney | Origin:North Weight_g=0.2121; RAW_FILE_NAME(Raw_file_name)=N52.mzXML SUBJECT_SAMPLE_FACTORS - N53 Sample source:AroeiraHoney | Origin:North Weight_g=0.197; RAW_FILE_NAME(Raw_file_name)=N53.mzXML SUBJECT_SAMPLE_FACTORS - N54 Sample source:AroeiraHoney | Origin:North Weight_g=0.2025; RAW_FILE_NAME(Raw_file_name)=N54.mzXML SUBJECT_SAMPLE_FACTORS - N55 Sample source:AroeiraHoney | Origin:North Weight_g=0.2024; RAW_FILE_NAME(Raw_file_name)=N55.mzXML SUBJECT_SAMPLE_FACTORS - N56 Sample source:AroeiraHoney | Origin:North Weight_g=0.1945; RAW_FILE_NAME(Raw_file_name)=N56.mzXML SUBJECT_SAMPLE_FACTORS - N57 Sample source:AroeiraHoney | Origin:North Weight_g=0.2144; RAW_FILE_NAME(Raw_file_name)=N57.mzXML SUBJECT_SAMPLE_FACTORS - N58 Sample source:AroeiraHoney | Origin:North Weight_g=0.1999; RAW_FILE_NAME(Raw_file_name)=N58.mzXML SUBJECT_SAMPLE_FACTORS - N59 Sample source:AroeiraHoney | Origin:North Weight_g=0.1944; RAW_FILE_NAME(Raw_file_name)=N59.mzXML SUBJECT_SAMPLE_FACTORS - N60 Sample source:AroeiraHoney | Origin:North Weight_g=0.2077; RAW_FILE_NAME(Raw_file_name)=N60.mzXML SUBJECT_SAMPLE_FACTORS - JC40 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.1978; RAW_FILE_NAME(Raw_file_name)=JC40.mzXML SUBJECT_SAMPLE_FACTORS - JC01 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.208; RAW_FILE_NAME(Raw_file_name)=JC01.mzXML SUBJECT_SAMPLE_FACTORS - JC04 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.2058; RAW_FILE_NAME(Raw_file_name)=JC04.mzXML SUBJECT_SAMPLE_FACTORS - JC08 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=JC08.mzXML SUBJECT_SAMPLE_FACTORS - JC09 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.2055; RAW_FILE_NAME(Raw_file_name)=JC09.mzXML SUBJECT_SAMPLE_FACTORS - JC10 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.2079; RAW_FILE_NAME(Raw_file_name)=JC10.mzXML SUBJECT_SAMPLE_FACTORS - JC12 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.2049; RAW_FILE_NAME(Raw_file_name)=JC12.mzXML SUBJECT_SAMPLE_FACTORS - JC14 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.1999; RAW_FILE_NAME(Raw_file_name)=JC14.mzXML SUBJECT_SAMPLE_FACTORS - JC15 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.1984; RAW_FILE_NAME(Raw_file_name)=JC15.mzXML SUBJECT_SAMPLE_FACTORS - JC17 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.1972; RAW_FILE_NAME(Raw_file_name)=JC17.mzXML SUBJECT_SAMPLE_FACTORS - JC18 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.1912; RAW_FILE_NAME(Raw_file_name)=JC18.mzXML SUBJECT_SAMPLE_FACTORS - JC19 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.1985; RAW_FILE_NAME(Raw_file_name)=JC19.mzXML SUBJECT_SAMPLE_FACTORS - JC20 Sample source:AroeiraHoney | Origin:Jequi-Coop Weight_g=0.2068; RAW_FILE_NAME(Raw_file_name)=JC20.mzXML SUBJECT_SAMPLE_FACTORS - JI61 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.1928; RAW_FILE_NAME(Raw_file_name)=JI61.mzXML SUBJECT_SAMPLE_FACTORS - JI61.1 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.2046; RAW_FILE_NAME(Raw_file_name)=JI61.1.mzXML SUBJECT_SAMPLE_FACTORS - JI62 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.2111; RAW_FILE_NAME(Raw_file_name)=JI62.mzXML SUBJECT_SAMPLE_FACTORS - JI63 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.2131; RAW_FILE_NAME(Raw_file_name)=JI63.mzXML SUBJECT_SAMPLE_FACTORS - JI64 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.1965; RAW_FILE_NAME(Raw_file_name)=JI64.mzXML SUBJECT_SAMPLE_FACTORS - JI65 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.2117; RAW_FILE_NAME(Raw_file_name)=JI65.mzXML SUBJECT_SAMPLE_FACTORS - JI66 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.2042; RAW_FILE_NAME(Raw_file_name)=JI66.mzXML SUBJECT_SAMPLE_FACTORS - JI67 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.197; RAW_FILE_NAME(Raw_file_name)=JI67.mzXML SUBJECT_SAMPLE_FACTORS - JI68 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.201; RAW_FILE_NAME(Raw_file_name)=JI68.mzXML SUBJECT_SAMPLE_FACTORS - JI69 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.2065; RAW_FILE_NAME(Raw_file_name)=JI69.mzXML SUBJECT_SAMPLE_FACTORS - JI71 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.1956; RAW_FILE_NAME(Raw_file_name)=JI71.mzXML SUBJECT_SAMPLE_FACTORS - JI73 Sample source:AroeiraHoney | Origin:Jequi-Isolated Weight_g=0.2089; RAW_FILE_NAME(Raw_file_name)=JI73.mzXML SUBJECT_SAMPLE_FACTORS - W25 Sample source:WildHoney | Origin:Jequi-Wild Weight_g=0.2073; RAW_FILE_NAME(Raw_file_name)=W25.mzXML SUBJECT_SAMPLE_FACTORS - W26 Sample source:WildHoney | Origin:Jequi-Wild Weight_g=0.2071; RAW_FILE_NAME(Raw_file_name)=W26.mzXML SUBJECT_SAMPLE_FACTORS - W29 Sample source:WildHoney | Origin:Jequi-Wild Weight_g=0.2053; RAW_FILE_NAME(Raw_file_name)=W29.mzXML SUBJECT_SAMPLE_FACTORS - QC1 Sample source:PooledSample | Origin:QC Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=QC1.mzXML SUBJECT_SAMPLE_FACTORS - QC2 Sample source:PooledSample | Origin:QC Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=QC2.mzXML SUBJECT_SAMPLE_FACTORS - QC3 Sample source:PooledSample | Origin:QC Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=QC3.mzXML SUBJECT_SAMPLE_FACTORS - QC4 Sample source:PooledSample | Origin:QC Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=QC4.mzXML SUBJECT_SAMPLE_FACTORS - QC5 Sample source:PooledSample | Origin:QC Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=QC5.mzXML SUBJECT_SAMPLE_FACTORS - QC6 Sample source:PooledSample | Origin:QC Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=QC6.mzXML SUBJECT_SAMPLE_FACTORS - QC7 Sample source:PooledSample | Origin:QC Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=QC7.mzXML SUBJECT_SAMPLE_FACTORS - QC8 Sample source:PooledSample | Origin:QC Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=QC8.mzXML SUBJECT_SAMPLE_FACTORS - QC9 Sample source:PooledSample | Origin:QC Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=QC9.mzXML SUBJECT_SAMPLE_FACTORS - QC10 Sample source:PooledSample | Origin:QC Weight_g=0.2; RAW_FILE_NAME(Raw_file_name)=QC10.mzXML #COLLECTION CO:COLLECTION_SUMMARY In Vale do Jequitinhonha, samples of aroeira honey were obtained from 13 CO:COLLECTION_SUMMARY apiaries of beekeepers who were members of the Cooperative of Beekeepers of the CO:COLLECTION_SUMMARY Vale do Jequitinhonha (COOAPIVAJE), identified as “Jequi-Coop”, and 12 CO:COLLECTION_SUMMARY samples of aroeira honey from beekeepers who were not part of the Cooperative, CO:COLLECTION_SUMMARY herein called isolated beekeepers (“Jequi-Isolated”). Samples were collected CO:COLLECTION_SUMMARY from May to August 2021, when the aroeira tree is in bloom. The 20 samples from CO:COLLECTION_SUMMARY Norte de Minas (“North”) were kindly provided by the Cooperative of CO:COLLECTION_SUMMARY Beekeepers and Family Farmers of Norte de Minas (COOPEMAPI). A few (three) CO:COLLECTION_SUMMARY samples of wild honey from Vale do Jequitinhonha were also included as a type of CO:COLLECTION_SUMMARY negative control (non-aroeira honey). CO:SAMPLE_TYPE Honey CO:STORAGE_CONDITIONS Room temperature CO:ADDITIVES None #TREATMENT TR:TREATMENT_SUMMARY No other treatments were performed to the samples prior do sample preparation. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY About 0.2 g of each honey sample was transferred to 2 mL microcentrifuge (actual SP:SAMPLEPREP_SUMMARY masses recorded for posterior data normalization). A 500 µL aliquot of SP:SAMPLEPREP_SUMMARY methanol:acetonitrile at a 1:1 (v/v) ratio was added to each microtube, along SP:SAMPLEPREP_SUMMARY with 10 µL of 200 mg/L F-Phe solution (internal standard). The mixtures were SP:SAMPLEPREP_SUMMARY homogenized by vortex for 10 s and sonicated on ice for 20 min. Samples were SP:SAMPLEPREP_SUMMARY then centrifuged at 7000 rpm for 5 min at room temperature (≈ 25 °C) to SP:SAMPLEPREP_SUMMARY facilitate the collection of the supernatant extract, which was transferred to a SP:SAMPLEPREP_SUMMARY chromatographic vial, diluted 4-fold in LC-MS grade water and stored at -18 °C SP:SAMPLEPREP_SUMMARY until instrumental analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Phenomenex Kinetex PFP (150 x 4.6 mm, 5um) CH:SOLVENT_A Water with 0.5% formic acid CH:SOLVENT_B Methanol with 0.5% formic acid CH:FLOW_GRADIENT 0.0 to 12.0 min from 1 to 95% B, 12.0 to 15.0 min at 95% B, 16.0 to 16.0 min CH:FLOW_GRADIENT from 95 to 1% B, 16.0 to 20 min at 1% B. CH:FLOW_RATE 0.6 mL/min CH:COLUMN_TEMPERATURE 40 CH:INTERNAL_STANDARD Fluorophenylalanine CH:SAMPLE_INJECTION 5 µL #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Mass Spectrometry Laboratory - Federal University of Juiz de Fora AN:OPERATOR_NAME Olívia Brito de Oliveira Moreira AN:DETECTOR_TYPE QTOF AN:SOFTWARE_VERSION MassHunter Workstation version B.08.00 AN:ACQUISITION_DATE November 2021 AN:DATA_FORMAT .d #MS MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Mass spectrometer conditions were: acquisition in scan mode from 100 to 3000 m/z MS:MS_COMMENTS (2 spectra/s), nebulizer gas temperature: 350 °C, gas flow: 12 L/min, nebulizer MS:MS_COMMENTS pressure: 50 psig, sheath gas temperature: 325 °C, sheath gas flow: 10 L/min, MS:MS_COMMENTS capillary voltage: 3500 V, fragmentor voltage: 125 V, skimmer voltage: 47 V, and MS:MS_COMMENTS octopole: 750 V. Purine, ammonium trifluoroacetate, and HP-0921 (API-TOF MS:MS_COMMENTS Reference Mass Solution Kit, Agilent Technologies) were added to the mobile MS:MS_COMMENTS phase as reference masses for real-time automatic mass calibration, providing MS:MS_COMMENTS ions in positive ion mode with m/z 121.0509 (protonated purine) and m/z 922.0098 MS:MS_COMMENTS (protonated HP-0921), as well as in negative ion mode with m/z 112.9856 MS:MS_COMMENTS (trifluoroacetate) and m/z 966.0007 (formate adduct of HP-0921). Acquisition was MS:MS_COMMENTS performed separately in positive and negative ionization modes in high MS:MS_COMMENTS resolution (HiRes 4 GHz) and data was stored in a centroid format. MS:CAPILLARY_VOLTAGE 3500 MS:DRY_GAS_FLOW 12 L/min MS:FRAGMENT_VOLTAGE 125 MS:IONIZATION Negative MS:OCTPOLE_VOLTAGE 750 MS:MS_RESULTS_FILE ST004344_AN007254_Results.txt UNITS:Peak area Has m/z:Yes Has RT:Yes RT units:Minutes #END