#METABOLOMICS WORKBENCH momm15_20170514_195345 DATATRACK_ID:907 STUDY_ID:ST000606 ANALYSIS_ID:AN000927 PROJECT_ID:PR000443
VERSION             	1
CREATED_ON             	May 25, 2017, 7:02 pm
#PROJECT
PR:PROJECT_TITLE                 	Bioprospection of the aromatic potential of species from the Atlantic Rainforest
PR:PROJECT_TITLE                 	in São Paulo: occurrence, taxonomy and chemical, genetic and physiological
PR:PROJECT_TITLE                 	characterization of plant populations
PR:PROJECT_TYPE                  	Atlantic Rainforest Chemical Characterization
PR:PROJECT_SUMMARY               	Neotropical Atlantic Rainforest is a plant diversity rich biome and encompasses
PR:PROJECT_SUMMARY               	distinct vegetation formations depending on the environment. Essential oils
PR:PROJECT_SUMMARY               	(EOs) are part of the plants volatilome and consist of complex blends of
PR:PROJECT_SUMMARY               	hydrophobic metabolites. EOs are valuable for green chemistry applications.
PR:PROJECT_SUMMARY               	However, the interactions between the environment and plant processes
PR:PROJECT_SUMMARY               	controlling its chemical composition are poorly understood. The work aimed to
PR:PROJECT_SUMMARY               	provide a comprehensive characterization of the EOs from native species in
PR:PROJECT_SUMMARY               	distinct Atlantic Rainforest formations and access their antimicrobial
PR:PROJECT_SUMMARY               	potential. Aerial parts were harvested and dried for oil extraction by
PR:PROJECT_SUMMARY               	hydrodistillation, in two subsequent years. Chemical profiles were done by GC-MS
PR:PROJECT_SUMMARY               	and the metabolites identified by mass spectra and retention indices. Oil
PR:PROJECT_SUMMARY               	contents were determined by area normalization using GC–FID. Antimicrobial
PR:PROJECT_SUMMARY               	activity was investigated by in vitro growth inhibition. Computing and graphics
PR:PROJECT_SUMMARY               	were generated in R. The EO chemical profile was determined for plants from 50
PR:PROJECT_SUMMARY               	species, in 15 botanical families, from nine Rainforest locations. Mono and
PR:PROJECT_SUMMARY               	sesquiterpenes were the most abundant chemical classes, followed by methyl
PR:PROJECT_SUMMARY               	ketones, phenylpropanoids and benzyl alcohols. Season and location were better
PR:PROJECT_SUMMARY               	discriminants for EO chemical profile than botanical family. Modules of
PR:PROJECT_SUMMARY               	co-regulated metabolites were identified and shown to correlate with
PR:PROJECT_SUMMARY               	environmental factors. Antimicrobial activity was widespread for the isolated
PR:PROJECT_SUMMARY               	EOs. Results provide a comprehensive metabolite profile of the EOs from the
PR:PROJECT_SUMMARY               	Atlantic Rainforest. Metabolite modules, correlated to environmental conditions,
PR:PROJECT_SUMMARY               	are conserved in complex plant populations. EOs are effective to inhibit
PR:PROJECT_SUMMARY               	pathogenic bacterial and fungal growth.
PR:INSTITUTE                     	Instituto Agronômico de Campinas, IAC, São Paulo, Brazil
PR:DEPARTMENT                    	Centro de Pesquisa e Desenvolvimento de Recursos Genéticos Vegetais
PR:LABORATORY                    	Laboratório de Produtos Naturais
PR:LAST_NAME                     	Ortiz Mayo Marques
PR:FIRST_NAME                    	Márcia
PR:ADDRESS                       	Av Barão de Itapura, 1481, Botafogo, Campinas - SP, 13012-970, Brazil
PR:EMAIL                         	mortiz@iac.sp.ogv
PR:PHONE                         	+55(19) 3202-1770
#STUDY
ST:STUDY_TITLE                   	Bioprospection of the aromatic potential of species from the Atlantic Rainforest
ST:STUDY_TITLE                   	in São Paulo: occurrence, taxonomy and chemical, genetic and physiological
ST:STUDY_TITLE                   	characterization of plant populations
ST:STUDY_TYPE                    	Chemcial profile of the volatiles from plants of the Atlantic Rainforest in São
ST:STUDY_TYPE                    	Paulo
ST:STUDY_SUMMARY                 	Native plants were sampled from nine Atlantic rainforest locations in Brazil for
ST:STUDY_SUMMARY                 	botanical identification, herbarium mounts and chemical analyses. Plants were
ST:STUDY_SUMMARY                 	marked and the coordinate reference determined by Global Positioning System
ST:STUDY_SUMMARY                 	(GPS). Botanical names are as presented in the list of species of Brazilian
ST:STUDY_SUMMARY                 	flora (Lista de Espécies da Flora do Brasil, Jardim Botfnico do Rio de
ST:STUDY_SUMMARY                 	Janeiro, 2015). Voucher specimens were deposited at the Herbarium of Instituto
ST:STUDY_SUMMARY                 	Agronômico de Campinas (IAC) (http://herbario.iac.sp.gov.br/), under the given
ST:STUDY_SUMMARY                 	accession numbers (Table 1). Marked plants were resampled in two subsequent
ST:STUDY_SUMMARY                 	years and those failing to be located or in poor condition were excluded from
ST:STUDY_SUMMARY                 	analyses. Environmental data were obtained from meteorological stations at the
ST:STUDY_SUMMARY                 	locations. Monthly values were used to calculate the average seasonal data.
ST:INSTITUTE                     	Instituto Agronômico, IAC, São Paulo, Brazil
ST:DEPARTMENT                    	Centro de Pesquisa e Desenvolvimento de Recursos Genéticos Vegetais
ST:LABORATORY                    	Laboratório de Produtos Naturais
ST:LAST_NAME                     	Ortiz Mayo Marques
ST:FIRST_NAME                    	Marcia
ST:ADDRESS                       	Avenida Barão de Itapura, 1481, Botafogo, Campinas - SP, 13020-902, Brazil
ST:EMAIL                         	mortiz@iac.sp.gov.br
ST:PHONE                         	+55(19) 3202-1770
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	63
#SUBJECT
SU:SUBJECT_TYPE                  	Plants
SU:SUBJECT_SPECIES               	Mixed
SU:AGE_OR_AGE_RANGE              	Adult plants
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	R1772/IAC_47521	Plant Species:Schinus terebinthifolius Raddi | Botanical Family:Anacardiaceae | Location:Ribeirão Preto | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp06101603/ IAC_47955	Plant Species:Annona dioica A.St.-Hil. | Botanical Family:Annonaceae | Location:Votuporanga | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	R1598/ IAC_46831	Plant Species:Guatteria australis A.St.-Hil. | Botanical Family:Annonaceae | Location:Ubatuba | Season:Summer	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101712/ IAC_47969	Plant Species:Xylopia aromatica (Lam.) Mart. | Botanical Family:Annonaceae | Location:Votuporanga | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	R1739/ IAC_47266	Plant Species:Xylopia brasiliensis Spreng. | Botanical Family:Annonaceae | Location:Pariquera-Açu | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	L52008/ IAC_47079	Plant Species:Monstera cf. adansonii Schott | Botanical Family:Araceae | Location:Ubatuba | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	C010/ IAC_47099	Plant Species:Dendropanax cuneatus (DC.) Decne. & Planch. | Botanical Family:Araliaceae | Location:Jundiai | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101818/ IAC_47975	Plant Species:Dendropanax cuneatus (DC.) Decne. & Planch. | Botanical Family:Araliaceae | Location:Adamantina | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	R1770/ IAC_47519	Plant Species:Dendropanax cuneatus (DC.) Decne. & Planch. | Botanical Family:Araliaceae | Location:Mococa | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	R1755/ IAC_47282	Plant Species:Baccharis dracunculifolia DC. | Botanical Family:Asteraceae | Location:Pariquera-Açu | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	R1773/ IAC_47522	Plant Species:Baccharis dracunculifolia DC. | Botanical Family:Asteraceae | Location:Ribeirão Preto | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	C005/ IAC_47097	Plant Species:Cyrtocymura scorpioides  (Lam.) H. Rob. | Botanical Family:Asteraceae | Location:Jundiai | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	Lp52912/IAC_29030	Plant Species:Croton celtidifolius Baill. | Botanical Family:Euphorbiaceae | Location:Monte Alegre do Sul | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	R4167/ IAC_46976	Plant Species:Croton floribundus Spreng. | Botanical Family:Euphorbiaceae | Location:Campinas | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	R1768/ IAC_47517	Plant Species:Croton urucurana Baill. | Botanical Family:Euphorbiaceae | Location:Mococa | Season:Summer	
SUBJECT_SAMPLE_FACTORS           	-	R4165/ IAC_46974	Plant Species:Croton warmingii Müll. Arg. | Botanical Family:Euphorbiaceae | Location:Campinas | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	R1736/ IAC_47263	Plant Species:Aiouea sp | Botanical Family:Lauraceae | Location:Pariquera-Açu | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	R1746/ IAC_47273	Plant Species:Aniba viridis Mez | Botanical Family:Lauraceae | Location:Pariquera-Açu | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	Lp51907/ IAC_47071	Plant Species:Aniba viridis Mez | Botanical Family:Lauraceae | Location:Ubatuba | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	R1622/ IAC_46801	Plant Species:Endlicheria paniculata (Spreng.) J.F.Macbr. | Botanical Family:Lauraceae | Location:Campinas | Season:Summer	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101820/ IAC_47986	Plant Species:Nectandra megapotamica (Spreng.) Mez | Botanical Family:Lauraceae | Location:Adamantina | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	R1761/ IAC_47510	Plant Species:Nectandra megapotamica (Spreng.) Mez | Botanical Family:Lauraceae | Location:Mococa | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	R1774/ IAC_47523	Plant Species:Nectandra megapotamica (Spreng.) Mez | Botanical Family:Lauraceae | Location:Ribeirão Preto | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp052902/IAC_47084	Plant Species:Nectranda megapotamica (Spreng.) Mez | Botanical Family:Lauraceae | Location:Monte Alegre do Sul | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	R1747/ IAC_47274	Plant Species:Ocotea odorifera (Vell.) Rohwer | Botanical Family:Lauraceae | Location:Pariquera-Açu | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101709/IAC_47961	Plant Species:Trichilia elegans A.Juss. | Botanical Family:Meliaceae | Location:Votuporanga | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp52003/ IAC_49465	Plant Species:Virola bicuhyba (Schott ex Spreng.) Warb. | Botanical Family:Myristicaceae | Location:Ubatuba | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	R1745/IAC_47272	Plant Species:Calyptranthes lanceolata O.Berg | Botanical Family:Myrtaceae | Location:Pariquera-Açu | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	Lp52009/ IAC_47080	Plant Species:Calyptranthes lucida Mart. ex DC. | Botanical Family:Myrtaceae | Location:Ubatuba | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101822/ IAC_47988	Plant Species:Campomanesia guavirota (DC.) Kiaersk. | Botanical Family:Myrtaceae | Location:Adamantina | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp06101816/ IAC_47973	Plant Species:Eugenia moraviana O.Berg. | Botanical Family:Myrtaceae | Location:Adamantina | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	R1626/ IAC_46825	Plant Species:Eugenia neoverrucosa Sobral | Botanical Family:Myrtaceae | Location:Campinas | Season:Summer	
SUBJECT_SAMPLE_FACTORS           	-	Lp51905/ IAC_47069	Plant Species:Eugenia prasina O.Berg | Botanical Family:Myrtaceae | Location:Ubatuba | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	C009/ IAC_34660	Plant Species:Eugenia pyriformis Cambess. | Botanical Family:Myrtaceae | Location:Jundiai | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101714/ IAC_47971	Plant Species:Eugenia myrcianthes Nied. | Botanical Family:Myrtaceae | Location:Votuporanga | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp52006/IAC_47077	Plant Species:Marlierea exocoriata Mart. | Botanical Family:Myrtaceae | Location:Ubatuba | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	Lp051901/IAC_47045	Plant Species:Myrcia spectabilis DC. | Botanical Family:Myrtaceae | Location:Ubatuba | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	C007/ IAC_37365	Plant Species:Myrcia splendens (Sw.) DC. | Botanical Family:Myrtaceae | Location:Jundiai | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	Lp06101817/IAC_47974	Plant Species:Myrcia tomentosa (Aubl.) DC. | Botanical Family:Myrtaceae | Location:Adamantina | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp52911/IAC_47090	Plant Species:Piper aduncum L. | Botanical Family:Piperaceaea | Location:Monte Alegre do Sul | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101606/IAC_47958	Plant Species:Piper aduncum L. | Botanical Family:Piperaceaea | Location:Votuporanga | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101608/IAC_47960	Plant Species:Piper aduncum L. | Botanical Family:Piperaceaea | Location:Votuporanga | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp06091202/IAC_32056	Plant Species:Piper amalago L. | Botanical Family:Piperaceaea | Location:Campinas | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp06091206/IAC_46823	Plant Species:Piper amalago L. | Botanical Family:Piperaceaea | Location:Campinas | Season:Summer	
SUBJECT_SAMPLE_FACTORS           	-	R1763/IAC_47512	Plant Species:Piper amalago L. | Botanical Family:Piperaceaea | Location:Mococa | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101821/IAC_47987	Plant Species:Piper amalago L. | Botanical Family:Piperaceaea | Location:Adamantina | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	R1740/IAC_7267	Plant Species:Piper amplum Kunth. | Botanical Family:Piperaceaea | Location:Pariquera-Açu | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	L51904/ IAC_7068	Plant Species:Piper cernuum Vell. | Botanical Family:Piperaceaea | Location:Ubatuba | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	R1741/IAC_7268	Plant Species:Piper cernuum Vell. | Botanical Family:Piperaceaea | Location:Pariquera-Açu | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	R1764/IAC_7513	Plant Species:Piper crassinervium Kunth. | Botanical Family:Piperaceaea | Location:Mococa | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	R1738/IAC_7265	Plant Species:Piper gaudichaudianum Kunth. | Botanical Family:Piperaceaea | Location:Pariquera-Açu | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	Lp052903/ IAC_7085	Plant Species:Piper leptorum Kunth. | Botanical Family:Piperaceaea | Location:Monte Alegre do Sul | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	L52007/ IAC_47078	Plant Species:Piper rivinoides Kunth. | Botanical Family:Piperaceaea | Location:Ubatuba | Season:Winter	
SUBJECT_SAMPLE_FACTORS           	-	R1633/ IAC_46832	Plant Species:Piper solmsianum C.DC. | Botanical Family:Piperaceaea | Location:Ubatuba | Season:Summer	
SUBJECT_SAMPLE_FACTORS           	-	R4169/IAC_46978	Plant Species:Piper umbellatum (L.) | Botanical Family:Piperaceaea | Location:Campinas | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	L52004/IAC_47075	Plant Species:Piper xylosteoides (Kunth.) Steud. | Botanical Family:Piperaceaea | Location:Ubatuba | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	Lp06091205/ IAC_44591	Plant Species:Esenbeckia febrifuga (A.St.-Hil.) A.Juss. ex Mart | Botanical Family:Rutaceae | Location:Campinas | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101823/ IAC_47989	Plant Species:Helietta apiculata Benth. | Botanical Family:Rutaceae | Location:Adamantina | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp06091204/ IAC_46826	Plant Species:Metrodorea nigra A.St.-Hil. | Botanical Family:Rutaceae | Location:Campinas | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	Lp6101710/ IAC_47962	Plant Species:Zanthoxylum petiolare A.St.-Hil. & Tul. | Botanical Family:Rutaceae | Location:Votuporanga | Season:Spring	
SUBJECT_SAMPLE_FACTORS           	-	R1643/ IAC_46842	Plant Species:Casearia sylvestris Sw. | Botanical Family:Salicaceae | Location:Ubatuba | Season:Summer	
SUBJECT_SAMPLE_FACTORS           	-	L4160/ IAC_46969	Plant Species:Cupania vernalis Cambess. | Botanical Family:Sapindaceae | Location:Campinas | Season:Autumn	
SUBJECT_SAMPLE_FACTORS           	-	C004/ IAC_4614	Plant Species:Aloysia virgata (Ruiz & Pav.) Juss. | Botanical Family:Verbenaceae | Location:Jundiai | Season:Winter	
#COLLECTION
CO:COLLECTION_SUMMARY            	Leaves were detached from woody stalks and air dried at room temperature, in the
CO:COLLECTION_SUMMARY            	absence of direct light. EOs were extracted from 54 to 1870 g of dry material
CO:COLLECTION_SUMMARY            	depending on availability, using a Clevenger-type apparatus until total
CO:COLLECTION_SUMMARY            	recovery. Oils were transferred to hermetically closed vials, and stored at
CO:COLLECTION_SUMMARY            	-20oC. Yield was is presented as oil weight (g) per plant material weight (g).
CO:COLLECTION_SUMMARY            	Extractions were performed independently for each collection, and averaged for
CO:COLLECTION_SUMMARY            	two collection years.
CO:COLLECTION_PROTOCOL_COMMENTS  	Plants failing to be located or in poor condition were excluded from analyses
CO:COLLECTION_METHOD             	Aerial parts harvesting
CO:COLLECTION_LOCATION           	Rainforest locations in the state of São Paulo, Brazil (Adamantina, Campinas,
CO:COLLECTION_LOCATION           	Jundiai, Mococa, Monte Alegre do Sul, Pariquera-Açu, Ribeirão Preto, Ubatuba,
CO:COLLECTION_LOCATION           	Votuporanga)
CO:COLLECTION_FREQUENCY          	Once a season, every two years
CO:STORAGE_CONDITIONS            	Detached leaves were air dried at room temperature, in the absence of light.
CO:STORAGE_CONDITIONS            	Isolated essential oils were stored in hermetically closed vials at -20C.
CO:STORAGE_VIALS                 	Hermetically closed glass vials, kept at -20C
#TREATMENT
TR:TREATMENT_SUMMARY             	Native plants were sampled from nine Atlantic rainforest locations in Brazil
TR:TREATMENT_SUMMARY             	(Adamantina, Campinas, Jundiaí, Mococa, Monte Alegre do Sul, Pariquera-Açú,
TR:TREATMENT_SUMMARY             	Ribeirão Preto, Ubatuba, Votuporanga) for botanical identification, herbarium
TR:TREATMENT_SUMMARY             	mounts and chemical analyses. Plants were marked and the coordinate reference
TR:TREATMENT_SUMMARY             	determined by Global Positioning System (GPS). Botanical names are as presented
TR:TREATMENT_SUMMARY             	in the list of species of Brazilian flora (Lista de Espécies da Flora do
TR:TREATMENT_SUMMARY             	Brasil, Jardim Botânico do Rio de Janeiro, 2015). Voucher specimens were
TR:TREATMENT_SUMMARY             	deposited at the Herbarium of Instituto Agronômico de Campinas (IAC)
TR:TREATMENT_SUMMARY             	(http://herbario.iac.sp.gov.br/), under the given accession numbers (Study
TR:TREATMENT_SUMMARY             	Design tab). Marked plants were resampled in two subsequent years and those
TR:TREATMENT_SUMMARY             	failing to be located or in poor condition were excluded from analyses.
TR:PLANT_GROWTH_SUPPORT          	Native soil
TR:PLANT_GROWTH_LOCATION         	Nine Rainforest Locations in the state of São Paulo (Brazil) : Adamantina,
TR:PLANT_GROWTH_LOCATION         	Campinas, Jundiai, Mococa, Monte Alegre do Sul, Pariquera-Açu, Ribeirão Preto,
TR:PLANT_GROWTH_LOCATION         	Ubatuba, Votuporanga
TR:PLANT_PLOT_DESIGN             	Native plants were identified, marked and coordinate reference locations were
TR:PLANT_PLOT_DESIGN             	determined by Global Positioning System (GPS). Marked plants were resampled,
TR:PLANT_PLOT_DESIGN             	throughout the year, in two subsequent years. The individuals failing to be
TR:PLANT_PLOT_DESIGN             	located or in poor condition were excluded from the analyses.
TR:PLANT_LIGHT_PERIOD            	Natural daylight conditions
TR:PLANT_HUMIDITY                	Natural humidity conditions
TR:PLANT_TEMP                    	Natural temperature conditions
TR:PLANT_WATERING_REGIME         	Natural rainfall watering
TR:PLANT_NUTRITIONAL_REGIME      	Natural soil nutrition
TR:PLANT_GROWTH_STAGE            	Mature
TR:PLANT_METAB_QUENCH_METHOD     	Air drying
TR:PLANT_HARVEST_METHOD          	Cuttings from aerial parts
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	EOs were extracted from 54 to 1870 g of dry material depending on availability,
SP:SAMPLEPREP_SUMMARY            	using a Clevenger-type apparatus until total recovery.
SP:PROCESSING_METHOD             	Detached leaves were air dried at room temperature in the absence of light
SP:EXTRACTION_METHOD             	Hydrodistillation with Clevenger-type apparatus
SP:ORGAN                         	Aerial parts (leaves and petioles)
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Targeted GC-MS and GC-FID. GC-MS using a Shimadzu QP-5000, equipped with fused
CH:CHROMATOGRAPHY_SUMMARY        	silica capillary column OV - 5 (30m x 0.25mm x 0.25μm, Ohio Valley Specialty
CH:CHROMATOGRAPHY_SUMMARY        	Chemical, Inc., USA), operating with electron impact (70 eV), Helium (1.0
CH:CHROMATOGRAPHY_SUMMARY        	mL/min.), injector at 220 °C, detector at 230 °C, split ratio 1/30 and the
CH:CHROMATOGRAPHY_SUMMARY        	following temperature program: 60 0C- 240 0C, 3 0C/min. GC–FID at a Shimadzu
CH:CHROMATOGRAPHY_SUMMARY        	GC-2010 equipped with fused silica capillary column OV - 5 (30m x 0.25mm x
CH:CHROMATOGRAPHY_SUMMARY        	0.25μm, Ohio Valley Specialty Chemical, Inc., USA), operating with electron
CH:CHROMATOGRAPHY_SUMMARY        	impact (70 eV), Helium (1.0 mL/min.), injector at 220 °C, detector at 230 °C,
CH:CHROMATOGRAPHY_SUMMARY        	split ratio 1/30 and the following temperature program: 60°C- 240 0C, 3 0C/min.
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Shimadzu GC-2010
CH:COLUMN_NAME                   	fused silica capillary column OV - 5, dimensions 30m x 0.25mm x 0.25µm (Ohio Valley Specialty Chemical, Inc., USA)
CH:COLUMN_NAME                   	Valley Specialty Chemical, Inc., USA)
CH:FLOW_RATE                     	1.0 mL/min (Helium)
CH:INJECTION_TEMPERATURE         	220 °C
CH:RETENTION_INDEX               	obtained from the injection of a mixture of n-alcanes (C9H20–C25H52, Sigma
CH:RETENTION_INDEX               	Aldrich, 99%)
CH:OVEN_TEMPERATURE              	60 °C- 240 °C, 3 0C/min
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Shimadzu QP-5000
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	EI/qradupole/Electron multiplier
MS:FRAGMENTATION_METHOD          	electron impact
MS:HELIUM_FLOW                   	1.0 mL/min
MS:IONIZATION                    	EI
MS:IONIZATION_ENERGY             	70 eV
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	% peak area
MS_METABOLITE_DATA_START
Samples	R1772/IAC_47521	Lp06101603/ IAC_47955	R1598/ IAC_46831	Lp6101712/ IAC_47969	R1739/ IAC_47266	L52008/ IAC_47079	C010/ IAC_47099	Lp6101818/ IAC_47975	R1770/ IAC_47519	R1755/ IAC_47282	R1773/ IAC_47522	C005/ IAC_47097	Lp52912/IAC_29030	R4167/ IAC_46976	R1768/ IAC_47517	R4165/ IAC_46974	R1736/ IAC_47263	R1746/ IAC_47273	Lp51907/ IAC_47071	R1622/ IAC_46801	Lp6101820/ IAC_47986	R1761/ IAC_47510	R1774/ IAC_47523	Lp052902/IAC_47084	R1747/ IAC_47274	Lp6101709/IAC_47961	Lp52003/ IAC_49465	R1745/IAC_47272	Lp52009/ IAC_47080	Lp6101822/ IAC_47988	Lp06101816/ IAC_47973	R1626/ IAC_46825	Lp51905/ IAC_47069	C009/ IAC_34660	Lp6101714/ IAC_47971	Lp52006/IAC_47077	Lp051901/IAC_47045	C007/ IAC_37365	Lp06101817/IAC_47974	Lp52911/IAC_47090	Lp6101606/IAC_47958	Lp6101608/IAC_47960	Lp06091202/IAC_32056	Lp06091206/IAC_46823	R1763/IAC_47512	Lp6101821/IAC_47987	R1740/IAC_7267	L51904/ IAC_7068	R1741/IAC_7268	R1764/IAC_7513	R1738/IAC_7265	Lp052903/ IAC_7085	L52007/ IAC_47078	R1633/ IAC_46832	R4169/IAC_46978	L52004/IAC_47075	Lp06091205/ IAC_44591	Lp6101823/ IAC_47989	Lp06091204/ IAC_46826	Lp6101710/ IAC_47962	R1643/ IAC_46842	L4160/ IAC_46969	C004/ IAC_4614
Factors	Plant Species:Schinus terebinthifolius Raddi | Botanical Family:Anacardiaceae | Location:Ribeirão Preto | Season:Spring	Plant Species:Annona dioica A.St.-Hil. | Botanical Family:Annonaceae | Location:Votuporanga | Season:Spring	Plant Species:Guatteria australis A.St.-Hil. | Botanical Family:Annonaceae | Location:Ubatuba | Season:Summer	Plant Species:Xylopia aromatica (Lam.) Mart. | Botanical Family:Annonaceae | Location:Votuporanga | Season:Spring	Plant Species:Xylopia brasiliensis Spreng. | Botanical Family:Annonaceae | Location:Pariquera-Açu | Season:Winter	Plant Species:Monstera cf. adansonii Schott | Botanical Family:Araceae | Location:Ubatuba | Season:Autumn	Plant Species:Dendropanax cuneatus (DC.) Decne. & Planch. | Botanical Family:Araliaceae | Location:Jundiai | Season:Winter	Plant Species:Dendropanax cuneatus (DC.) Decne. & Planch. | Botanical Family:Araliaceae | Location:Adamantina | Season:Spring	Plant Species:Dendropanax cuneatus (DC.) Decne. & Planch. | Botanical Family:Araliaceae | Location:Mococa | Season:Spring	Plant Species:Baccharis dracunculifolia DC. | Botanical Family:Asteraceae | Location:Pariquera-Açu | Season:Winter	Plant Species:Baccharis dracunculifolia DC. | Botanical Family:Asteraceae | Location:Ribeirão Preto | Season:Spring	Plant Species:Cyrtocymura scorpioides  (Lam.) H. Rob. | Botanical Family:Asteraceae | Location:Jundiai | Season:Winter	Plant Species:Croton celtidifolius Baill. | Botanical Family:Euphorbiaceae | Location:Monte Alegre do Sul | Season:Autumn	Plant Species:Croton floribundus Spreng. | Botanical Family:Euphorbiaceae | Location:Campinas | Season:Autumn	Plant Species:Croton urucurana Baill. | Botanical Family:Euphorbiaceae | Location:Mococa | Season:Summer	Plant Species:Croton warmingii Müll. Arg. | Botanical Family:Euphorbiaceae | Location:Campinas | Season:Autumn	Plant Species:Aiouea sp | Botanical Family:Lauraceae | Location:Pariquera-Açu | Season:Winter	Plant Species:Aniba viridis Mez | Botanical Family:Lauraceae | Location:Pariquera-Açu | Season:Winter	Plant Species:Aniba viridis Mez | Botanical Family:Lauraceae | Location:Ubatuba | Season:Autumn	Plant Species:Endlicheria paniculata (Spreng.) J.F.Macbr. | Botanical Family:Lauraceae | Location:Campinas | Season:Summer	Plant Species:Nectandra megapotamica (Spreng.) Mez | Botanical Family:Lauraceae | Location:Adamantina | Season:Spring	Plant Species:Nectandra megapotamica (Spreng.) Mez | Botanical Family:Lauraceae | Location:Mococa | Season:Spring	Plant Species:Nectandra megapotamica (Spreng.) Mez | Botanical Family:Lauraceae | Location:Ribeirão Preto | Season:Spring	Plant Species:Nectranda megapotamica (Spreng.) Mez | Botanical Family:Lauraceae | Location:Monte Alegre do Sul | Season:Autumn	Plant Species:Ocotea odorifera (Vell.) Rohwer | Botanical Family:Lauraceae | Location:Pariquera-Açu | Season:Winter	Plant Species:Trichilia elegans A.Juss. | Botanical Family:Meliaceae | Location:Votuporanga | Season:Spring	Plant Species:Virola bicuhyba (Schott ex Spreng.) Warb. | Botanical Family:Myristicaceae | Location:Ubatuba | Season:Autumn	Plant Species:Calyptranthes lanceolata O.Berg | Botanical Family:Myrtaceae | Location:Pariquera-Açu | Season:Winter	Plant Species:Calyptranthes lucida Mart. ex DC. | Botanical Family:Myrtaceae | Location:Ubatuba | Season:Autumn	Plant Species:Campomanesia guavirota (DC.) Kiaersk. | Botanical Family:Myrtaceae | Location:Adamantina | Season:Spring	Plant Species:Eugenia moraviana O.Berg. | Botanical Family:Myrtaceae | Location:Adamantina | Season:Spring	Plant Species:Eugenia neoverrucosa Sobral | Botanical Family:Myrtaceae | Location:Campinas | Season:Summer	Plant Species:Eugenia prasina O.Berg | Botanical Family:Myrtaceae | Location:Ubatuba | Season:Autumn	Plant Species:Eugenia pyriformis Cambess. | Botanical Family:Myrtaceae | Location:Jundiai | Season:Winter	Plant Species:Eugenia myrcianthes Nied. | Botanical Family:Myrtaceae | Location:Votuporanga | Season:Spring	Plant Species:Marlierea exocoriata Mart. | Botanical Family:Myrtaceae | Location:Ubatuba | Season:Autumn	Plant Species:Myrcia spectabilis DC. | Botanical Family:Myrtaceae | Location:Ubatuba | Season:Autumn	Plant Species:Myrcia splendens (Sw.) DC. | Botanical Family:Myrtaceae | Location:Jundiai | Season:Winter	Plant Species:Myrcia tomentosa (Aubl.) DC. | Botanical Family:Myrtaceae | Location:Adamantina | Season:Spring	Plant Species:Piper aduncum L. | Botanical Family:Piperaceaea | Location:Monte Alegre do Sul | Season:Winter	Plant Species:Piper aduncum L. | Botanical Family:Piperaceaea | Location:Votuporanga | Season:Spring	Plant Species:Piper aduncum L. | Botanical Family:Piperaceaea | Location:Votuporanga | Season:Spring	Plant Species:Piper amalago L. | Botanical Family:Piperaceaea | Location:Campinas | Season:Spring	Plant Species:Piper amalago L. | Botanical Family:Piperaceaea | Location:Campinas | Season:Summer	Plant Species:Piper amalago L. | Botanical Family:Piperaceaea | Location:Mococa | Season:Winter	Plant Species:Piper amalago L. | Botanical Family:Piperaceaea | Location:Adamantina | Season:Spring	Plant Species:Piper amplum Kunth. | Botanical Family:Piperaceaea | Location:Pariquera-Açu | Season:Winter	Plant Species:Piper cernuum Vell. | Botanical Family:Piperaceaea | Location:Ubatuba | Season:Autumn	Plant Species:Piper cernuum Vell. | Botanical Family:Piperaceaea | Location:Pariquera-Açu | Season:Winter	Plant Species:Piper crassinervium Kunth. | Botanical Family:Piperaceaea | Location:Mococa | Season:Winter	Plant Species:Piper gaudichaudianum Kunth. | Botanical Family:Piperaceaea | Location:Pariquera-Açu | Season:Winter	Plant Species:Piper leptorum Kunth. | Botanical Family:Piperaceaea | Location:Monte Alegre do Sul | Season:Autumn	Plant Species:Piper rivinoides Kunth. | Botanical Family:Piperaceaea | Location:Ubatuba | Season:Winter	Plant Species:Piper solmsianum C.DC. | Botanical Family:Piperaceaea | Location:Ubatuba | Season:Summer	Plant Species:Piper umbellatum (L.) | Botanical Family:Piperaceaea | Location:Campinas | Season:Autumn	Plant Species:Piper xylosteoides (Kunth.) Steud. | Botanical Family:Piperaceaea | Location:Ubatuba | Season:Autumn	Plant Species:Esenbeckia febrifuga (A.St.-Hil.) A.Juss. ex Mart | Botanical Family:Rutaceae | Location:Campinas | Season:Spring	Plant Species:Helietta apiculata Benth. | Botanical Family:Rutaceae | Location:Adamantina | Season:Spring	Plant Species:Metrodorea nigra A.St.-Hil. | Botanical Family:Rutaceae | Location:Campinas | Season:Spring	Plant Species:Zanthoxylum petiolare A.St.-Hil. & Tul. | Botanical Family:Rutaceae | Location:Votuporanga | Season:Spring	Plant Species:Casearia sylvestris Sw. | Botanical Family:Salicaceae | Location:Ubatuba | Season:Summer	Plant Species:Cupania vernalis Cambess. | Botanical Family:Sapindaceae | Location:Campinas | Season:Autumn	Plant Species:Aloysia virgata (Ruiz & Pav.) Juss. | Botanical Family:Verbenaceae | Location:Jundiai | Season:Winter
n-octane														0.41																																																	
tricyclene															0.27	0.18																																															
alpha-thujene							0.82																													3.32								0.21																			
alpha-pinene	18.16	4.72	1.47	8.43	3.34	17.22	8.47	0.78	0.73	3.11	6.12	2.31	1.17	3.14	0.42		3.49	9.84	2.63		2.64	27.11	18.74	21.2	1.88		6.78	0.18	7.17	12.3	3.94	94.46	12.59	31.54		37.65		28.1		6.42		0.08	14.75	6.67	11.67	4.83	18.09	10.04	11.77	11.49	12.18	3.2	73.21	22.69				0.24		4.31			
alpha-fenchene														0.57																0.32																																	
camphene			0.22		0.81									0.15				1.53	0.09		0.92	1.98	0.61	1.52	6.21															0.28							0.52	6.3	8.7	0.32	0.21		1.61	0.28									
verbenene													5.46									1.37	0.7	0.71																																							
sabinene				0.25		1.1	2.19			0.22	0.18	0.49		2.98					0.34								0.31				0.96					11.21							0.37	6.34	0.3	8.21		0.08				0.3		0.62									
beta-pinene	0.3		0.56	7.69	1.19	4.9	10.9	0.65	0.58	6.68	9.86	26.57	2.65	0.68	0.78		3.37	6.51	1.53		2.01	28.24	17.35	18.53	1.26		3.39		6.78	2.24	14.23	0.7		39.72		18.23		6.43		4.49	0.22	0.3	1.67	1.08	0.99	0.87	0.94	3.81	2.84	11.57	6.99	2.24	5.16	3.47						3.16			
6-methyl-5-hepten-2-one																							1.04																											2.43													
myrcene	3.01			0.94		2.16		0.72		1.81	3.14	1.02	6.25		0.71		1.99	0.42	0.29			1.07	1.21	1.11	1.68					2.14			0.43	1.26		3.81							3.17	4.29	2.83	6.85	0.18	0.39	0.27		0.55	2.77	1.22	26.1				0.4		7.56			
alpha-phellandrene	23.19					2.87											24.53								0.61											0.1							1.93	0.91	1.9	0.97					0.77		0.06	3.41									
para-mentha-1 (7), 8-diene																																	1.22																														
delta-3-carene								12.52	6.66																																													26.91									
alpha-terpinene																																				0.78									0.2			0.31															
p-cymene	4.21				0.64	2.56																			1.22					0.48																								0.13									
o-cymene								0.27	1.74				8.31				7.71		0.16														0.53			0.42							1.04	0.48	0.85						0.34	0.14	0.45										
limonene				71.65			0.29		1.5	11.58	17.38	2.63			0.12				0.73		1.71	4.26	5.48	3.42	8.12		1.65		0.22	5.07		1.24	61.42	2.85		5.49				1.27							8.62	0.69	0.74	1	3.86	0.86	1.25			3.48		42.34					
beta-phellandrene	16.85					36.62											1.83																										39.29	15.92	33.13	12.29								3.05						40.75			
1,8-cineole					11.11									1.9																																																	
cis-beta-ocimene																	0.54				1.42																			1.03	0.68	1.87	0.84	1.36	1.89	1.57	10.46																
trans-beta-ocimene		6.02								0.26	0.19	1.02					0.49				9.15													0.91	0.11	6.45				2.73	1.92	4.95		0.48	0.47	0.37	1.52				0.56			0.15				5.82	1.3				
gamma-terpinene																			0.37											0.24						1.54												0.51															
terpinolene	0.42																		0.12						0.26											0.31												0.08				0.32		0.71									
linalool										0.4	0.85					8.11		3.93	11.09						0.86					11.8					0.89					2.22			0.7	1.32	0.78	1.86				1.04	2.68		4										
n-nonanal														2.48																																																	
alpha-campholenal					1.4																																																										
cis-limonene oxide								0.9	1.47																																																						
nopinone					2.11																																																										
trans-sabinol					5.97																																																										
camphor																									50.54																																						
isoborneol																														1.16																																	
trans-pinocamphone					0.44																																																										
pinocarvone					4.1																																																										
borneol	0.12																		1.52																																												
terpinen-4-ol																															0.32					3.17																											
alpha-terpineol																			0.33				0.41		0.82					4.46				0.58		0.19																											
myrtenal					3.78																																																										
verbenone					8.07																																																										
carvone				0.6																																																											
geraniol				0.39																																																											
safrole																									1.02															13.28	10.83	10.51																					
2-undecanone						9.16																																																									
methyl geranate																																																0.22	0.18														
delta-elemene																											0.22												0.8				0.6		1.73	1.54									1.46						7.14		
alpha-cubebene	0.51																																																				0.07		0.45								
cyclosativene														2.29																																																	
alpha-copaene	2.05	0.35	0.28						0.72			0.99	1.71	2.11	0.52	0.17					1.08	0.73	0.97	0.94		3.07	1.34		3.24	1.12	5.87		1.22		0.5			1.69	2.14	0.81			1.43			1.1	1.74	0.17	0.47	0.7		0.13			1.5						1.77	0.49	
beta-bourbonene												0.28		1.47	0.35	1.75						0.32		0.33			3.73											0.37					2.59							0.12					0.58	0.15			0.93				5.68
beta-cubebene	2.56	0.22																																																					3.21								
beta-elemene			0.23		0.95							0.73				8.13	1.4									1.86	4.43		0.25		11.02			1.69	0.19	0.19		7.56	0.63					0.25	0.24	1.21		0.21		0.31		0.58				4.15		0.87	4.61	2.99	3.36		
methyl eugenol																									19.89			80.4																																			
alpha-gurjunene			0.39											0.29															0.43																																		
alpha-cis-bergamotene														2.04																																																	
trans-caryophyllene	0.61	12.2	5.52			1.52	13.24	18.38	5.65	2.12	1.03	7.16	9.1	21.97	5.23	16.8	5.48	1.33		8.24	5.67	3.11	0.49	1.93		0.37	18.11	0.61	16.88	6.49	16.19	0.72	5.18	2.01	4.71	1.05		5.12	20.41	3.64	0.36	0.54	2.76	2.36	2.08	3.62	8.82	1.98	1.62	7.8	8.15	6.11	1.46	1.53	6.34	4.54	0.22	0.92	1.26	1.47	6.15	16.11	4.58
beta-gurjunene												0.8		5.2		0.21											0.41		0.17																					0.25					0.22								
gamma-elemene																										1.22																														0.4							
alpha-trans-bergamotene			0.46																																																												
alpha-guaiene																															1.14																																
aromadendrene							0.41	0.75	5.55	0.34	0.53							1.17						0.27		0.89	0.41		0.97	0.45																	0.37			1.08	1.78		1.6				1.32						
alpha-humulene	0.61	1.53	0.39				5.07	6.07	1.73	0.69	0.38		0.22	2.36	0.84	2.91	0.39			0.94		0.18	0.14	0.61		0.91	1.8	0.29	2.45	1.16	3.25	0.4	3.68	0.2	1.77			3.03	1.98	6.35		0.09				0.8	0.96	0.16		0.6	1.4	1.56			0.71	1.92				0.75	0.83	1.81	
trans-beta-farnesene																																	0.67																														
allo-aromadendrene	0.39		3.96					0.72	1.51					0.61	1.08		0.58	0.97			1.3	0.72		1.23					0.86		0.68				0.22																										1.02	0.45	
dehydro-aromadendrene								1.06				1.18															0.68													0.31												34.69	0.33	2.2		4.79							0.91
gamma-gurjunene							0.54									0.3														2.05										0.39												0.14											32.72
gamma-muurolene	0.45						0.48		1.68			0.66		0.54		6.69				11.8	0.14	0.17		0.3			0.74		0.27		2.1			3.35					0.6							5.93				3.33	0.54	1.34			0.48						0.15		
ar-curcumene			7.7																														0.24																														
germacrene D	8.36	21.04							9.21	3.17	1.57	36.14	11.7	9.02	23.96		0.65				8.07	4.43		9.76		2.61	8.18		0.91	3.88	7.25				4.16	0.59		20.92	33.09	0.77	0.92	0.55	11.72		0.47	1.77	5.55	0.72	0.32	9.25	1.49	2.73		1.52	55.84	0.33		6.97	15.29	22.03	6.54	21.4	
beta-selinene																	6.36				1.77			1.21		0.29	1.67			2.38	1.01		1.47					0.76																							0.28		
trans-methyl isoeugenol																												4.14																																			
cis-beta-guaiene			3.71									8.02		0.7			3.05										21.42																				0.24	0.4	0.44		3.76	1.87									0.81		
asaricin																																								14.86	80.08	73.36																					
2-tridecanone						17.04																																																									
valencene							4.98		0.23				15.79													0.58								2.95						9.74	0.66	3.11																			1.74		
alpha-selinene															2.6	0.88				34.51																																2.96		5.47			2.42						
4-epi-cis-dihydroagarofuran																																																10.75	9.45														
bicyclogermacrene	0.58	30.07		2.83				15.74	32.84	4.33	2.7			3.94	43.42	17.42	6.15				23.43	16.43	6.4	22.71				1.43	12.43		9.09				8.51				10.4				1.02	20.81	15.03	19.39	2.64			5.13	6.9		3.88		11.83	7.82		2.23	16.62			35.92	
alpha-muurolene	0.41		0.83				0.24			0.41	0.49			1.44													0.86		0.24	0.78	1.08				0.36				1.53	0.62		0.68	0.33	0.89	0.35	1.24				0.69							1.19						
trans-beta-guaiene	0.17												0.23					8.14	0.35																	2.31		0.77																						7.17	12.2		24.62
beta-dihydro agarofuran																																																28.68	33.8														
(E,E)-alpha-farnesene			0.44																																																												
beta-bisabolene			1.97			0.73																							0.24	0.66			0.37																									3.73		2.95	5.78		
cis-alpha-bisabolene																																																											3.53				
germacrene A		0.58												0.3		7.35	1.1									1.01	3.18				5.31			0.71				5.82									1.15	0.28				0.46			1.35	2.08		0.88			1.23	0.44	
gamma-cadinene	0.23	0.58	0.31				0.96		1.17	0.61	0.58	0.69	7.44	1.94	1.45	1.17				1.49	0.96	0.85		0.97		4.75	1.5			1.14				0.69				4.8		3.91	1.16	1.02		1.03	1.08	1.26		1.62	1.71	1.74	2.42	0.32	0.22		1.36						2.1		3.02
7-epi-alpha-selinene															0.55																																				4.53	1.36											
E-calamenene																														1.32																																	
delta-cadinene	3.18	0.99					1.35		2.26	2.32	2.9	1.58	1.52	0.94	2.29	0.98			0.52	1.1	2.03	0.43		2.1		2.25	2.66		4.24	5.51	1.62		1.68		1.41	0.44		1.78	7.02	2.62	0.22	0.31	0.72	4.6	1.9	3.6	0.87	0.29		4.24	1.1	0.18			2.04			0.28			8.1	0.14	2.82
cis-calamenene									0.41																																												0.63			3.71							
alpha-cadinene																														3.36																												5.24					
alpha-calacorene																										1.65			0.3				0.45																	0.46													
selina-3,7 (11)-diene																														4.2																												6.91					
alpha-agarofuran																																																1.18	1.39														
elemicin																					6.74							4.61																																			
germacrene B	6.33						9.98									0.47				2.62						44.29				0.23									0.47	0.25	0.89	0.47						0.06				1.62		0.24		10.64		0.45	2.58		3.03		
oxygenated sesquiterpene																							28.09																																								
trans-nerolidol		1.14	0.7							30.51	27.27		11.09			9.9	19.43	4.37	73.12			0.44	0.79			1.17	0.64		2.27														4.65	2.47	1.48	2.06		0.7	0.61	4.95	17.5	0.15			0.42	8.15							
spathulenol		5.05	27.4	3.61	28.3		3.94	22.8	9.47			0.95		5.93	6.34	5.89	1.4	7.78	3.09	15.33	15.65	3.61	9.19	4.68	0.75	2.57	2.87	0.38	5.71	1.51	1.98			1.96		0.49		2.77	1.67	10.58	1.05	0.99		9.07	9.77	5.58		0.28		1.39	0.94	4.66	1.49			12.27	9.11	0.7	23.6		2.14	9.16	9.84
caryophyllene oxide			18.77		3.47		15.6	9.07	5.56					13.74		2.65	0.81	2.67		8.58	7.37	1.49							17.27	3.65	3.76			2.57					1.07	3.63				3	0.54	0.86		0.16		7.55	8.52	12.54	2.16		2.47	9.39	49.69		2.44		3.09	9.1	
globulol																																				0.43																											
beta-copaen-4-alpha-ol										12.03	6.2								0.63							0.67									31.72																												
guaiol		1.67																																	1.26															5.48								3.06					
khusimone															0.6																																																
1,10-di-epi-cubenol																										5.17																																					
dillapiole																																																				1.01											
1-epi-cubenol										0.44	0.6																						0.51			0.17			1				1.63	0.45	2.6	0.78				1.49							1.14				12.1		
epi-alpha-cadinol	1.13									1.92	2.73		1.92		3.15				0.37												0.68			1.09					4.35	1.75			0.21	4.15	1.19	1.73																	
7-epi-alpha-eudesmol																														1.19																												5.2					
eudesmol-7(11)-en-4-ol															1.75																																											4.09					
cis-cis-farnesol																																					41.11																										
trans-cis-farnesol																																					52.1																										
benzyl benzoate																		14.16																																													
benzyl salicylate																		23.42																																													
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	KEGG ID	PubChem ID	CAS	Base ion masses	mass over z of significant ions (relative abundance)
n-octane	801	C01387	356	111-65-9	43.05	41.00 (60.23); 43.05 (100.00); 57.05 (30.46); 71.10 (14.24); 85.15 (16.91); 114.00 (3.59)
tricyclene	925	C20241	79035	508-32-7	93.1	41.00 (27.06); 79.00 (15.95); 93.10 (100.00); 105.20 (17.38); 121.15 (13.60); 136.15 (14.75)
alpha-thujene	925		12444322	3917-48-4	93.05	41.10 (27.50); 77.05 (44.56); 93.05 (100.00); 105.10 (9.02); 136.10 (22.46)
alpha-pinene	931	C09880	6654	80-56-8	93.15	41.15 (42.9); 77.10 (31.6); 93.15 (100.00); 105.15 (9.89); 121.20 (13.2); 136.20 (10.3)
alpha-fenchene	942		28930	471-84-1	93.15	79.15 (70.33); 91.15 (51.10); 93.15 (100.00); 107.15 (22.48); 121.25 (84.74); 136.15 (18.74)
camphene	951	C06076	6616	79-92-5	92.95	66.95 (36.21); 78.95 (56.15); 92.95 (100.00); 106.95 (22.19); 120.95 (57.83); 135.95 (23.59)
verbenene	967		6427476	4080-46-0	91.15	41.10 (43.79); 77.10 (17.28); 91.15 (100.00); 105.10 (7.60); 119.20 (44.67); 134.15 (15.06)
sabinene	968	C16777	18818	3387-41-5	93.1	41.10 (43.9); 77.10 (67.9); 91.15 (58.9); 93.10 (100.00); 105.20 (7.99); 121.05 (14.1); 136.05 (23.1)
beta-pinene	971	C09882	14896	127-91-3	93.15	41.15 (94.2); 69.15 (35.2); 79.10 (28.9); 93.15 (100.00); 121.20 (17.9); 136.20 (12.5)
6-methyl-5-hepten-2-one	982	C07287	9862	409-02-9	43.1	41.10 (48.03); 43.10 (100.00); 55.15 (26.65); 69.15 (15.06); 108.15 (13.75); 126.05 (1.53)
myrcene	990	C06074	31253	123-35-3	41.15	41.15 (100.00); 69.15 (38.4); 93.15 (43.4); 136.25 (3.11)
alpha-phellandrene	1001		7460	4221-98-1	93	41.00 (33.61); 77.00 (34.34); 90.95 (61.28); 93.00 (100.00); 136.15 (25.67)
para-mentha-1 (7), 8-diene	1001		68140	499-97-8	93	40.95 (83.63); 53.00 (33.13); 67.05 (35.51); 79.00 (56.80); 93.00 (100.00); 107.05 (13.07); 121.00 (13.31); 136.10 (14.70)
delta-3-carene	1008		26049	13466-78-9	93.15	77.10 (34.11); 79.10 (34.35); 91.10 (52.24); 93.15 (100.00); 105.15 (12.14); 121.20 (19.62); 136.20 (18.62)
alpha-terpinene	1013	C09898	7462	99-86-5	121	77.00 (43.98); 79.00 (37.48); 91.00 (56.10); 93.00 (88.61); 121.00 (100.00); 136.00 (39.67)
p-cymene	1020	C06575	7463	99-87-6	119.2	91.15 (23.40); 119.20 (100.00); 134.25 (28.60)
o-cymene	1021		10703	527-84-4	119.15	91.15 (24.21); 119.15 (100.00); 134.20 (26.52)
limonene	1025	C06078	22311	138-86-3	68.15	67.15 (74.9); 68.15 (100); 79.15 (29.0); 93.15 (58.9); 107.15 (14.8); 121.20 (18.5); 136.20 (19.2)
beta-phellandrene	1025	C19818	11142	555-10-2	93.1	41.05 (36.12); 77.05 (37.25); 79.10 (23.93); 91.10 (40.21); 93.10 (100.00); 136.15 (16.50)
1,8-cineole	1027	C09844	2758	470-82-6	43.1	41.15 (30.88); 43.10 (100.00); 55.15 (20.13); 71.15 (20.54); 81.15 (19.48); 93.15 (17.00); 154.30 (7.34)
cis-beta-ocimene	1037		5320250	3338-55-4	93.15	77.15 (41.65); 79.10 (37.73); 91.10 (62.18); 93.15 (100.00); 105.30 (17.09); 121.30 (12.46)
trans-beta-ocimene	1049	C09873	5281553	3779-61-1	93.15	41.15 (46.7); 77.15 (41.9); 79.15 (56.4); 93.15 (100.00); 105.20 (16.6); 121.25 (13.2); 136.25 (16.9)
gamma-terpinene	1055	C09900	7461	99-85-4	93	77.05 (49.64); 91.00 (70.89); 93.00 (100.00); 105.05 (11.32); 121.05 (19.55); 135.95 (30.96)
terpinolene	1084	C06075	11463	586-62-9	92.95	42.95 (34.14); 79.05 (49.84); 90.95 (63.17); 92.95 (100.00); 105.10 (29.86); 121.00 (93.31); 136.05 (61.42)
linalool	1096	C03985	6549	78-70-6	41.15	41.15 (100.00); 43.10 (56.5); 55.15 (35.2); 69.15 (24.0); 71.15 (29.7); 93.15 (68.3); 121.05 (14.9); 136.20 (11.4)
n-nonanal	1101		31289	124-19-6	41.05	41.05 (100.00); 43.05 (68.50); 57.05 (80.50); 67.10 (10.51); 70.10 (21.65); 82.10 (11.85); 98.20 (9.85)
alpha-campholenal	1120		1252759	4501-58-0	108.2	41.10 (82.04); 55.15 (36.08); 67.15 (37.70); 77.15 (18.30); 79.25 (12.92); 81.15 (18.42); 93.20 (88.97); 108.20 (100.00);
cis-limonene oxide	1131			13837-75-7	43.1	43.10 (100.00); 67.15 (56.35); 79.10 (31.28); 93.10 (21.60); 95.10 (23.47); 109.15 (55.08); 137.20 (24.80); 152.20 (9.22)
nopinone	1131		32735	24903-95-5	55.15	41.15 (91.02); 55.15 (100.00); 67.20 (42.69); 83.10 (77.13); 95.20 (33.31); 108.95 (15.84); 122.95 (8.19); 137.95 (12.63)
trans-sabinol	1133		6429076	29606-76-6	91.15	41.15 (93.12); 79.15 (26.44); 91.15 (100.00); 92.20 (52.31); 109.15 (5.99); 134.25 (29.85); 152.10 (1.83)
camphor	1139	C18369	2537	76-22-2	95.2	41.15 (71.03); 55.15 (49.07); 69.15 (41.58); 81.15 (56.54); 95.20 (100.00); 108.20 (28.31); 152.30 (15.64)
isoborneol	1161		6321405	124-76-5	95.2	41.15 (59.04); 55.20 (25.58); 67.20 (22.89); 95.20 (100.00); 110.20 (22.21); 121.10 (24.34); 136.10 (6.47)
trans-pinocamphone	1154		11038	547-60-4	41.1	41.10 (100.00); 55.15 (92.79); 69.15 (56.25); 83.20 (50.97); 95.10 (22.99)
pinocarvone	1155	C09884	121719	30460-92-5	53.15	41.15 (79.12); 53.15 (100.00); 81.15 (52.13); 108.15 (33.81); 150.10 (6.97)
borneol	1163	C01411	64685	507-70-0	95.2	41.00 (41.49); 43.10 (22.44); 53.00 (21.66); 55.00 (16.96); 67.00 (25.77); 81.00 (22.98); 91.00 (20.60); 95.20 (100.00); 110.00 (38.82);
terpinen-4-ol	1174	C17073	11230	562-74-3	71.2	41.10 (52.05); 43.05 (88.08); 71.20 (100.00); 93.10 (24.89); 111.10 (23.61); 154.20 (4.39)
alpha-terpineol	1186	C16772	17100	98-55-5	59.15	43.10 (69.0); 59.15 (100.00); 81.15 (23.5); 93.15 (77.3); 121.25 (30.7); 136.25 (34.3)
myrtenal	1189	C11939	61130	23727-16-4	79.15	41.10 (79.15); 79.15 (100.00); 91.15 (29.25); 107.15 (70.43); 150.05 (4.11)
verbenone	1201	C09913	29025	80-57-9	107.2	41.15 (32.77); 79.15 (54.51); 80.15 (60.81); 91.15 (62.02); 107.20 (100.00); 135.20 (66.17); 150.25 (34.93)
carvone	1237	C11383	16724	2244-16-8	82.15	41.15 (41.55); 54.20 (64.33); 82.15 (100.00); 93.20 (23.26); 108.20 (27.80); 150.05 (6.73)
geraniol	1253	C01500	637566	106-24-1	41.1	41.10 (100.00); 53.00 (19.01); 69.15 (47.92); 111.15 (8.95);
safrole	1281	C10490	5144	94-59-7	162.25	51.15 (66.71); 77.15 (46.32); 104.15 (48.34); 131.15 (51.76); 162.25 (100.00)
2-undecanone	1289	C01875	8163	112-12-9	43	43.00 (100.00); 58.05 (89.85); 71.05 (19.73); 85.05 (4.65); 170.95 (0.61)
methyl geranate	1321		5365910	1189-09-9	69	40.95 (98.27); 53.05 (13.12); 69.00 (100.00); 83.00 (14.60); 114.00 (23.96); 122.95 (11.44); 138.95 (6.69); 150.95 (11.67)
delta-elemene	1338		12309449	11029-06-4	121.1	77.05 (32.48); 93.10 (75.21); 105.05 (27.45); 121.10 (100.00); 136.15 (50.53); 161.15 (40.78); 204.20 (3.06)
alpha-cubebene	1350	C09647	442359	17699-14-8	105.15	80.85 (26.40); 91.05 (36.82); 105.15 (100.00); 119.05 (47.50); 161.10 (51.94); 204.10 (12.92)
cyclosativene	1366		519960	22469-52-9	41.05	41.05 (100.00); 79.10 (28.19); 91.10 (48.41); 105.10 (67.29); 119.15 (39.01); 161.20 (51.49); 204.25 (22.47)
alpha-copaene	1376	C09639	92042749	3856-25-5	105	40.95 (83.67); 81.00 (28.75); 91.00 (46.35); 93.00 (43.87); 105.00 (100.00); 118.95 (82.41); 161.10 (74.33); 204.15 (13.01)
beta-bourbonene	1384		62566	5208-59-3	81.1	80.10 (81.95); 81.10 (100.00); 123.00 (51.05); 161.00 (10.03)
beta-cubebene	1390	C09648	93081	13744-15-5	161.15	91.10 (55.04); 105.15 (55.89); 119.15 (43.09); 161.15 (100.00); 204.10 (21.51)
beta-elemene	1393	C17094	6918391	33880-83-0	93.1	67.15 (74.32); 79.10 (63.27); 81.10 (91.09); 93.10 (100.00); 107.10 (53.19); 121.10 (31.99); 147.15 (28.71); 161.15 (16.30); 189.15 (14.74); 204.15 (3.33)
methyl eugenol	1404	C10454	7127	93-15-2	178.3	91.15 (41.40); 103.15 (34.35); 107.15 (33.16); 147.25 (35.00); 163.25 (29.06); 178.30 (100.00)
alpha-gurjunene	1414	C19734	15560276	489-40-7	105	41.00 (87.35); 91.00 (39.86); 105.00 (100.00); 119.05 (41.05); 161.10 (65.60); 189.10 (35.41); 204.10 (48.45)
alpha-cis-bergamotene	1416	C19735	6429303		41.05	41.05 (100.00); 69.10 (34.46); 77.05 (19.12); 79.05 (18.55); 93.10 (60.44); 105.10 (15.18); 107.15 (18.18); 119.10 (53.19);
trans-caryophyllene	1417	C09629	5281515	87-44-5	41.15	41.15 (100.00); 69.15 (39.3); 79.15 (33.0); 93.15 (42.4); 133.20 (31.2); 161.30 (23.2); 204.35 (4.32)
beta-gurjunene	1429	C17120	6450812	73464-47-8	161.2	91.05 (64.13); 105.05 (90.54); 119.10 (44.44); 161.20 (100.00); 204.15 (15.63)
gamma-elemene	1433		6432312	29873-99-2	41.15	41.15 (100.00); 67.25 (40.79); 79.20 (39.50); 93.25 (59.06); 105.15 (40.39); 107.15 (45.77); 121.30 (84.66); 133.15 (14.75); 147.20 (12.70); 161.20 (23.59)
alpha-trans-bergamotene	1440	C20811	6429302	13474-59-4	41	41.00 (100.00); 69.10 (29.98); 78.95 (16.50); 93.15 (45.04); 105.05 (17.23); 119.15 (44.35);
alpha-guaiene	1440	C20161	5317844	CAS:3691-12-1	105.2	41.15 (72.8); 79.15 (21.7); 91.15 (65.3); 105.20 (100.00); 119.05 (53.8); 133.05 (44.2); 147.05 (27.8); 161.05 (40.2); 204.05 (21.5)
aromadendrene	1440		177445	14682-34-9	40.95	40.95 (100.00); 78.95 (42.36); 90.95 (46.98); 105.00 (41.71); 119.00 (25.26); 132.95 (24.29); 160.95 (21.69); 188.95 (15.07); 203.95 (16.63)
alpha-humulene	1451	C09684	5281520	6753-98-6	93.15	41.10 (60.26); 80.15 (38.51); 93.15 (100.00); 121.20 (28.63); 147.30 (22.21); 204.10 (3.04)
trans-beta-farnesene	1457	C09666	5281517	18794-84-8	41	41.00 (100.00); 69.05 (49.34); 93.00 (27.84); 120.85 (9.52); 132.85 (11.16); 160.90 (4.81); 204.90 (4.61)
allo-aromadendrene	1461		42608158	25246-27-9	41.15	41.15 (100.00); 79.05 (58.19); 91.10 (53.31); 105.10 (51.12); 119.10 (42.82); 161.10 (31.03); 204.10 (21.86)
dehydro-aromadendrene	1462		91746711	85048-01-7	41.15	41.15 (100.00); 79.00 (26.75); 91.00 (41.33); 105.20 (36.69); 119.25 (19.70); 133.25 (19.29); 148.25 (16.34); 204.25 (16.02)
gamma-gurjunene	1473		15560285	22567-17-5	161.35	41.15 (86.16); 81.20 (37.94); 91.20 (64.54); 105.20 (88.05); 119.25 (48.86); 161.35 (100.00); 204.45 (28.33)
gamma-muurolene	1478	C20273	12313020	30021-74-0	161.35	79.15 (46.22); 91.10 (58.85); 105.15 (77.61); 119.20 (45.34); 161.35 (100.00); 189.25 (9.71); 204.25 (15.67)
ar-curcumene	1481		92139	644-30-4	119.1	41.05 (75.06); 91.05 (28.36); 105.05 (48.37); 119.10 (100.00); 132.10 (84.74); 145.10 (20.48); 202.20 (15.40)
germacrene D	1481	C16142	5317570	23986-74-5	161.3	41.15 (97.88); 81.15 (40.47); 91.15 (74.42); 105.15 (71.19); 119.25 (40.86); 161.30 (100.00); 204.40 (17.22)
beta-selinene	1487	C09723	442393	17066-67-0	41.05	41.05 (100.00); 67.05 (42.14); 79.05 (40.60); 93.10 (49.36); 105.05 (41.66); 121.05 (23.16); 161.20 (20.43); 204.00 (23.60)
trans-methyl isoeugenol	1493	C10478	637776	6379-72-2	178.3	91.20 (42.05); 107.15 (48.86); 163.30 (42.28); 178.30 (100.00)
cis-beta-guaiene	1493		15560253	88-84-6	161.15	41.00 (56.72); 79.05 (36.99); 91.00 (51.59); 105.05 (58.72); 119.05 (38.69); 161.15 (100.00); 189.15 (28.30); 204.20 (35.65)
asaricin	1495			18607-93-7	192.25	53.10 (46.07); 77.15 (23.86); 91.15 (29.52); 119.20 (31.10); 147.20 (67.17); 192.25 (100.00)
2-tridecanone	1492		11622	593-08-8	43	43.00 (100.00); 58.05 (94.28); 71.05 (21.03); 198.15 (1.26)
valencene	1495	C17277	9855795	463007-3	161.1	79.05 (65.51); 91.00 (87.71); 93.05 (88.72); 105.05 (97.04); 107.05 (68.56); 119.05 (66.48); 161.10 (100.00); 189.10 (48.03); 204.15 (56.44)
alpha-selinene	1495		6432455	473-13-2	41	41.00 (100.00); 79.00 (38.16); 92.95 (58.89); 105.05 (53.37); 204.20 (29.51)
4-epi-cis-dihydroagarofuran	1496		90478975	765307-45-7	40.95	40.95 (100.00); 42.95 (72.26); 55 (49.62); 67.00 (22.92); 81.05 (24.26); 95.00 (16.41); 109.00 (20.55); 136.95 (22.82); 189.15 (22.23); 207.10 (42.31); 222.10 (2.73)
bicyclogermacrene	1497	C20175	13894537	24703-35-3	93	40.95 (47.93); 79.00 (34.09); 93.00 (100.00); 107.00 (44.88); 121.00 (50.75); 161.05 (36.38); 204.10 (20.62)
alpha-muurolene	1498	C20272	12306047	31983-22-9	105.15	41.15 (52.74); 91.20 (30.08); 93.15 (46.04); 105.15 (100.00); 119.05 (22.90); 161.25 (26.89); 204.10 (16.26)
trans-beta-guaiene	1498		6429357	53863-54-0	105	91.00 (91.76); 105.00 (100.00); 119.00 (70.98); 161.10 (82.49); 189.10 (37.94); 204.15 (39.51)
beta-dihydro agarofuran	1500		21593552	CAS: 5956-09-2	40.95	40.95 (100.00); 42.95 (75.10); 54.95 (55.43); 66.90 (26.42); 81.00 (24.56); 95.00 (21.44); 109.00 (32.58); 137.00 (39.56); 189.10 (26.31); 207.10 (44.39); 222.15 (3.28)
(E,E)-alpha-farnesene	1505	C09665	5281516	502-61-4	41.05	41.05 (100.00); 55.05 (49.90); 79.10 (40.67); 93.10 (52.94); 107.10 (48.82); 119.10 (24.27); 204.15 (9.51)
beta-bisabolene	1506	C16775	10104370	495-61-4	40.95	40.95 (100.00); 69.05 (67.76); 93.05 (47.91); 106.95 (22.11); 118.95 (23.37); 160.95 (17.97)
cis-alpha-bisabolene	1506		5352653	70332-15-9	93.15	41.10 (55.61); 67.15 (44.24); 79.15 (30.17); 91.20 (34.39); 93.15 (100.00); 105.15 (39.53); 121.10 (22.15); 204.10 (15.24)
germacrene A	1507	C16141	9548705	2838-44-2	41.1	41.10 (100.00); 53.15 (54.68); 67.15 (52.43); 68.20 (53.16); 81.15 (39.92); 93.15 (59.05); 105.15 (40.01); 107.20 (53.58); 119.10 (30.99); 133.25 (22.74); 147.25 (22.73); 189.30 (18.31); 204.20 (10.11)
gamma-cadinene	1515	C19738	92313	39029-41-9	161.15	78.90 (26.42); 90.90 (56.69); 105.15 (62.72); 119.05 (48.30); 161.15 (100.00); 204.25 (41.18)
7-epi-alpha-selinene	1518	C20159	10726905	123123-37-5	161.3	41.10 (68.89); 55.00 (33.60); 91.00 (35.69); 107.25 (71.56); 122.25 (70.81); 161.30 (100.00); 204.20 (19.99)
E-calamenene	1523		6429022	73209-42-4	159.35	131.15 (16.44); 144.20 (8.93); 159.35 (100.00); 202.30 (13.13)
delta-cadinene	1523	C06394	441005	483-76-1	161.2	41.15 (57.34); 91.20 (39.84); 105.20 (58.03); 119.30 (71.49); 134.20 (61.33); 161.20 (100.00); 204.25 (42.91)
cis-calamenene	1523		6429077	72937-55-4	159.3	131.25 (11.39); 144.25 (7.75); 159.30 (100.00); 202.25 (6.72)
alpha-cadinene	1537	C16815	12306048	82468-90-4	105.15	80.95 (31.92); 91.15 (38.35); 105.15 (100.00); 161.25 (46.87); 204.15 (34.65)
alpha-calacorene	1542		12302243	21391-99-1	157.05	115.00 (11.83); 141.95 (54.92); 157.05 (100.00); 199.95 (23.75)
selina-3,7 (11)-diene	1543		522296	6813-21-4	161.3	91.15 (67.42); 107.25 (71.70); 122.30 (72.17); 161.30 (100.00); 189.35 (25.44); 204.45 (47.21)
alpha-agarofuran	1543		6428321	5956-127	42.95	42.95 (100.00); 82.00 (74.43); 91.00 (53.97); 105.00 (48.37); 147.10 (33.97); 202.10 (77.71); 220.15 (25.49)
elemicin	1554	C10451	10248	487-11-6	208.35	77.10 (39.17); 91.15 (23.22); 105.15 (20.59); 133.25 (22.98); 177.35 (15.51); 193.30 (57.19); 208.35 (100.00)
germacrene B	1554	C09672	5281519	15423-57-1	41.05	41.05 (100.00); 53.05 (37.01); 67.05 (35.90); 79.05 (31.37); 93.05 (44.86); 105.10 (37.36); 121.10 (37.72); 161.20 (30.47); 189.20 (14.56); 204.25 (14.77)
oxygenated sesquiterpene	1555	−	−	−	−	−
trans-nerolidol	1568	C09704	5284507	40716-66-3	40.95	40.95 (100.00); 69.00 (44.12); 93.00 (36.21); 107.00 (17.76); 203.95 (5.42)
spathulenol	1574		92231	6750-60-3	43.15	41.15 (76.82); 43.15 (100.00); 91.20 (43.81); 105.15 (36.61); 119.20 (35.26); 159.20 (38.21); 205.45 (26.35)
caryophyllene oxide	1579	C16908	1742210	1139-30-6	40.95	40.95 (100.00); 42.95 (51.97); 78.80 (41.35); 90.95 (31.08); 107.00 (21.24); 121.05 (14.40); 220.00 (1.94)
globulol	1583		101716	5137-47-2	42.95	40.95 (52.91); 42.95 (100.00); 54.95 (32.03); 69.05 (26.94); 80.95 (37.26); 90.95 (31.46); 92.80 (32.23); 104.95 (36.97); 160.80 (23.18); 188.80 (11.50); 203.80 (14.33)
beta-copaen-4-alpha-ol	1583		6431225	126060-41-1	41.1	41.10 (100.00); 79.15 (31.9); 91.15 (54.5); 105.15 (42.3); 117.15 (27.8); 131.20 (45.1); 159.25 (61.2); 202.35 (20.0)
guaiol	1596	C09676	227829	489-86-1	161.2	59.15 (55.59); 81.20 (38.06); 93.20 (49.30); 105.15 (95.35); 107.20 (51.83); 119.20 (55.45); 133.20 (43.01); 147.25 (34.04); 161.20 (100.00); 189.10 (26.75); 204.35 (41.24)
khusimone	1596		6428327	30557-76-7	41.05	41.05 (100.00); 91.15 (40.87); 105.15 (44.92); 119.15 (30.87); 133.15 (15.53); 147.20 (20.35); 204.25 (28.38)
1,10-di-epi-cubenol	1617			73365-77-2	41.05	41.05 (100.00); 81.10 (55.12); 105.10 (61.46); 119.10 (44.75); 161.20 (70.37); 179.20 (24.73); 204.20 (24.07); 222.10 (0.87)
dillapiole	1617	C10449	10231	484-31-1	222	77.00 (29.92); 91.05 (13.93); 121.00 (19.69); 149.00 (24.46); 177.00 (50.14); 207.05 (24.31); 222.00 (100.00)
1-epi-cubenol	1629	C19744	519857	19912-67-5	119.2	41.15 (70.9); 105.15 (87.3); 119.20 (100.00); 161.30 (87.8); 204.40 (30.6)
epi-alpha-cadinol	1637		12302222	5937111	161.25	43.10 (66.81); 81.10 (33.56); 105.15 (60.19); 119.20 (33.26); 161.25 (100.00); 204.35 (29.77)
7-epi-alpha-eudesmol	1655	C20159	10726905	123123-38-6	161.15	59.10 (16.93); 107.15 (66.83); 122.10 (87.24); 161.15 (100.00); 204.25 (33.13)
eudesmol-7(11)-en-4-ol	1697		6432454	473-04-1	43.1	41.15 (70.48); 43.10 (100.00); 55.20 (42.43); 67.20 (39.18); 81.15 (40.81); 93.20 (50.53); 107.20 (28.75); 161.30 (16.22); 189.10 (9.36); 204.10 (4.10)
cis-cis-farnesol	1711		1549107	4602-84-0	41	41.00 (100.00); 69.10 (36.05); 81.05 (16.07); 93.00 (14.35); 95.00 (9.72); 107.00 (7.03); 135.10 (2.60);
trans-cis-farnesol	1738	C03220	1549108	3790-71-4	41	41.00 (100.00); 55.00 (28.19); 69.05 (58.76); 81.00 (23.49); 84.00 (28.67); 93.00 (14.18); 105.00 (17.37); 121.05 (7.97);
benzyl benzoate	1760	C12537	2345	120-51-4	105.15	77.10 (37.30); 91.15 (44.28); 105.15 (100.00); 212.30 (12.16)
benzyl salicylate	1868		8363	118-58-1	91.15	65.15 (15.89); 91.15 (100.00); 228.25 (5.84)
METABOLITES_END
#END