#METABOLOMICS WORKBENCH tsimaom_20240522_091731 DATATRACK_ID:4857 STUDY_ID:ST003219 ANALYSIS_ID:AN005278 PROJECT_ID:PR002007
VERSION             	1
CREATED_ON             	May 22, 2024, 1:15 pm
#PROJECT
PR:PROJECT_TITLE                 	EVALUATION OF THE INFLUENCE OF ENVIRONMENTAL CONDITIONS ON THE METABOLOME OF
PR:PROJECT_TITLE                 	Psychotria viridis LEAVES Ruiz & Pav.
PR:PROJECT_TYPE                  	MS untargeted analysis
PR:PROJECT_SUMMARY               	Elucidate the metabolic changes in the leaves of Psychotria viridis Ruiz & Pav.
PR:PROJECT_SUMMARY               	cultivated in different environmental conditions through a multiplatform global
PR:PROJECT_SUMMARY               	metabolomics and lipidomics approach. Evaluate the possibility of
PR:PROJECT_SUMMARY               	differentiating leaf lipidome and metabolome samples by season and place of
PR:PROJECT_SUMMARY               	cultivation; Identify which metabolites would be statistically significant for
PR:PROJECT_SUMMARY               	differentiating the samples; Establish the most altered metabolic pathways when
PR:PROJECT_SUMMARY               	comparing environmental conditions; Correlate the differential metabolites with
PR:PROJECT_SUMMARY               	the metabolic pathways altered due to the environmental conditions of collection
PR:PROJECT_SUMMARY               	and cultivation of P. viridis leaves.
PR:INSTITUTE                     	University of Campinas
PR:DEPARTMENT                    	Chemistry's Institute
PR:LABORATORY                    	Laboratory of Bioanalytics and Integrated Omics
PR:LAST_NAME                     	Matos
PR:FIRST_NAME                    	Taynara
PR:ADDRESS                       	Rua Josué de Castro, s/n – Cidade Universitária, 13083-970, Campinas – SP,
PR:ADDRESS                       	Brazil
PR:EMAIL                         	t262827@dac.unicamp.br
PR:PHONE                         	(85)996154192
PR:PROJECT_COMMENTS              	Study part 1 of 2
#STUDY
ST:STUDY_TITLE                   	EVALUATION OF THE INFLUENCE OF ENVIRONMENTAL CONDITIONS ON THE METABOLOME OF
ST:STUDY_TITLE                   	Psychotria viridis LEAVES Ruiz & Pav.: Metabolomics approach
ST:STUDY_SUMMARY                 	Psychotria viridis Ruiz & Pav. has gained particular attention due to its use in
ST:STUDY_SUMMARY                 	the ayahuasca drink. This work aims to deepen the understanding of the
ST:STUDY_SUMMARY                 	composition of specialized metabolites in the leaves of Psychotria viridis Ruiz
ST:STUDY_SUMMARY                 	& Pav. and investigate the influence of the growing environment as well as
ST:STUDY_SUMMARY                 	seasonality on the composition. The specimens were grown in the open field and
ST:STUDY_SUMMARY                 	others in the shaded environment of rubber tree (Hevea brasiliensis L.)
ST:STUDY_SUMMARY                 	cultivation. These specimens make up a clonal population of the mother-plant.
ST:STUDY_SUMMARY                 	The collection was made in the four seasons. After a three-phase extraction
ST:STUDY_SUMMARY                 	method on the leaves, the aqueous phase was analyzed on an ultra-high
ST:STUDY_SUMMARY                 	performance liquid chromatography coupled to electrospray ionization and
ST:STUDY_SUMMARY                 	Orbitrap mass spectrometry (UHPLC-ESI-Orbitrap-MS) system. Acquired data were
ST:STUDY_SUMMARY                 	processed using MS-DIAL 4.9 and MetaboAnalyst 5.0 for multivariate and pathway
ST:STUDY_SUMMARY                 	activity analysis. Chemical variations were investigated employing principal
ST:STUDY_SUMMARY                 	component analysis (PCA), hierarchical cluster analysis (HCA) and partial least
ST:STUDY_SUMMARY                 	squares discriminant analysis (PLS-DA). The most important identified compounds
ST:STUDY_SUMMARY                 	for differentiation according to the seasonality were flavonoids. The pathways
ST:STUDY_SUMMARY                 	with significant variation in response to the seasonality were related to energy
ST:STUDY_SUMMARY                 	generation through biosynthesis and consumption of carbohydrates: Ascorbate and
ST:STUDY_SUMMARY                 	aldarate metabolism, Pentose and glucuronate interconversions and Citrate cycle.
ST:STUDY_SUMMARY                 	On the other hand, Biosynthesis of flavonoid, flavones and flavonols were the
ST:STUDY_SUMMARY                 	biochemical pathways associated with the influence of the cultivation location
ST:STUDY_SUMMARY                 	in full sun or shade in an intercrop being a plant response to oxidative stress.
ST:STUDY_SUMMARY                 	Keywords: Psychotria viridis, seasonality, abiotic stress, liquid
ST:STUDY_SUMMARY                 	chromatography-mass spectrometry; metabolomics.
ST:INSTITUTE                     	University of Campinas
ST:LAST_NAME                     	Matos
ST:FIRST_NAME                    	Taynara
ST:ADDRESS                       	Rua Josué de Castro, s/n – Cidade Universitária, 13083-970, Campinas – SP,
ST:ADDRESS                       	Brazil
ST:EMAIL                         	t262827@dac.unicamp.br
ST:PHONE                         	+5585996154192
ST:NUM_GROUPS                    	3
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Psychotria viridis
#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           	-	BCor1_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	Type=Blank; RAW_FILE_NAME(Raw_file_name)=BCor1_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	BExt1_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	Type=Blank; RAW_FILE_NAME(Raw_file_name)=BExt1_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QCEq_1_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QCEq_1_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QCEq_2_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QCEq_2_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QCEq_3_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QCEq_3_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QCEq_4_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QCEq_4_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC1_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC1_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SL1A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SL1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SG1A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SG1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WE1A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WE1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FH1A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FH1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WJ1A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WJ1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WE6A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WE6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WL6A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WL6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FH6A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FH6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FL6A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FL6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SD6A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SD6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC2_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC2_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SK6A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SK6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FK1A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FK1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SE6A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SE6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WC1A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WC1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SA1A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SA1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SC6A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SC6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FL1A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FL1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WH1A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WH1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SK1A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SK1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FC6A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FC6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC3_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC3_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FI1A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FI1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WJ6A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WJ6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FJ6A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FJ6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FE6A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FE6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WB6A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WB6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SH1A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SH1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WG6A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WG6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SI6A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SI6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SG6A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SG6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WF1A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WF1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FK6A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FK6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC4_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC4_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WK6A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WK6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SD1A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SD1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WK1A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WK1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FC1A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FC1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FA6A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FA6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FA1A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FA1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FG1A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FG1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SF6A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SF6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FD6A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FD6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FB6A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FB6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WL1A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WL1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC5_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC5_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SF1A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SF1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WD1A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WD1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WH6A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WH6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FI6A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FI6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FD1A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FD1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SE1A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SE1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SJ6A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SJ6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WD6A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WD6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FB1A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FB1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SL6A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SL6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC6_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC6_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WB1A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WB1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WA6A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WA6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SJ1A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SJ1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FG6A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FG6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FJ1A_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FJ1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SB6A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SB6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FF6A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FF6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SB1A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SB1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WA1A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WA1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SC1A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SC1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC7_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC7_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WF6A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WF6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WI1A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WI1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FF1A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FF1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WI6A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WI6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WG1A_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WG1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FE1A_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FE1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SA6A_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SA6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SI1A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SI1A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WC6A_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WC6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SH6A_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SH6A_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC8_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC8_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	BExt2_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	Type=Blank; RAW_FILE_NAME(Raw_file_name)=BExt2_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	BCor2_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	Type=Blank; RAW_FILE_NAME(Raw_file_name)=BCor2_N.raw; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	BCor1_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	Type=Blank; RAW_FILE_NAME(Raw_file_name)=BCor1_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	BExt1_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	Type=Blank; RAW_FILE_NAME(Raw_file_name)=BExt1_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QCEq_1_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QCEq_1_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QCEq_2_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QCEq_2_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QCEq_3_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QCEq_3_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QCEq_4_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QCEq_4_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC1_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC1_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SL1A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SL1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SG1A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SG1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WE1A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WE1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FH1A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FH1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WJ1A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WJ1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WE6A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WE6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WL6A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WL6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FH6A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FH6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FL6A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FL6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SD6A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SD6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC2_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC2_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SK6A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SK6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FK1A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FK1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SE6A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SE6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WC1A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WC1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SA1A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SA1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SC6A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SC6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FL1A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FL1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WH1A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WH1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SK1A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SK1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FC6A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FC6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC3_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC3_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FI1A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FI1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WJ6A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WJ6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FJ6A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FJ6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FE6A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FE6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WB6A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WB6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SH1A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SH1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WG6A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WG6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SI6A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SI6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SG6A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SG6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WF1A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WF1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FK6A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FK6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC4_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC4_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WK6A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WK6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SD1A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SD1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WK1A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WK1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FC1A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FC1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FA6A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FA6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FA1A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FA1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FG1A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FG1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SF6A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SF6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FD6A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FD6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FB6A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FB6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WL1A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WL1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC5_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC5_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SF1A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SF1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WD1A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WD1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WH6A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WH6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FI6A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FI6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FD1A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FD1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SE1A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SE1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SJ6A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SJ6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WD6A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WD6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FB1A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FB1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SL6A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SL6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC6_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC6_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WB1A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WB1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WA6A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WA6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SJ1A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SJ1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FG6A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FG6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FJ1A_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FJ1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SB6A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SB6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FF6A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FF6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SB1A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SB1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WA1A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WA1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SC1A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SC1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC7_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC7_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WF6A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WF6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WI1A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WI1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FF1A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FF1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WI6A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WI6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WG1A_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WG1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FE1A_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=FE1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SA6A_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SA6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SI1A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SI1A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WC6A_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=WC6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SH6A_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	Type=Sample; RAW_FILE_NAME(Raw_file_name)=SH6A_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC8_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	Type=QC; RAW_FILE_NAME(Raw_file_name)=QC8_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	BExt2_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	Type=Blank; RAW_FILE_NAME(Raw_file_name)=BExt2_P.raw; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	BCor2_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	Type=Blank; RAW_FILE_NAME(Raw_file_name)=BCor2_P.raw; Ionization mode=Positive
#COLLECTION
CO:COLLECTION_SUMMARY            	4 leaves from different regions of each specimen were collected and stored in
CO:COLLECTION_SUMMARY            	paper bags. The collection was carried out in the four seasons of the year:
CO:COLLECTION_SUMMARY            	summer, winter, spring, and autumn. The spring samples remained in a paper bag
CO:COLLECTION_SUMMARY            	longer than the other samples. Due to this difference in storage, it was decided
CO:COLLECTION_SUMMARY            	not to continue the analyzes with them.
CO:SAMPLE_TYPE                   	Plant
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	After 24 h of collection, the samples were dried in an oven (40 ºC, 48 h),
TR:TREATMENT_SUMMARY             	macerated with a mortar and pestle with the aid of liquid nitrogen, transferred
TR:TREATMENT_SUMMARY             	to a glass tube and stored at -80 ºC until analysis.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The biological material underwent a 3-phase extraction method. The separated and
SP:SAMPLEPREP_SUMMARY            	dried phases were stored at -80 ºC until chromatographic analysis. For
SP:SAMPLEPREP_SUMMARY            	metabolomics, the aqueous phase was resuspended in 1 mL mixture of solvents
SP:SAMPLEPREP_SUMMARY            	corresponding to the initial of the chromatographic run: 60% mobile phase A and
SP:SAMPLEPREP_SUMMARY            	40% mobile phase B and filtered in 0.22 µL PVDF filter.
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo UltiMate 3000 RSLCnano
CH:COLUMN_NAME                   	Merck Supelco Titan C18 (100 × 2.1 mm, 1.9 µm)
CH:SOLVENT_A                     	100% Water; 0.1% formic acid
CH:SOLVENT_B                     	100% Acetronitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	0.20 mL/min: 0-2 min, 3% B; 3.7-5.6 min, 20 % B; 7.4 min, 45% B; 9.3-14 65% and
CH:FLOW_GRADIENT                 	16-20 min; 3% B.
CH:FLOW_RATE                     	0.20 mL/min
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Data-dependent acquisition mode of the 5 most intense peaks. Full scan data were
MS:MS_COMMENTS                   	acquired between m/z 100 and 1500 in profile mode and at resolution 70000 (at
MS:MS_COMMENTS                   	m/z = 200). The automatic gain control was set as automatic gain control target
MS:MS_COMMENTS                   	at 1E6, 1 scan s-1, and injection time at 100 ms. Pre-processing data on MS-DIAL
MS:MS_COMMENTS                   	4.9 software. The parameter analysis were setting with MS1 tolerance of 0.02 Da,
MS:MS_COMMENTS                   	MS2 tolerance 0.06 Da, MS1 and MS2 m/z 100-1500 range, maximum charged number 1;
MS:MS_COMMENTS                   	peak detection with 10000 of minimum peak height and mass slice width of 0.1 Da;
MS:MS_COMMENTS                   	deconvolution with MS/MS abundance cut off of 30 amplitude and sigma window
MS:MS_COMMENTS                   	value of 0.5; alignment parameters with retention time tolerance 0.5 min, MS1
MS:MS_COMMENTS                   	tolerance of 0.02 Da and removed features based on blank information.
MS:SPRAY_VOLTAGE                 	+3.5
MS:MS_RESULTS_FILE               	ST003219_AN005278_Results.txt	UNITS:Peak area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END