#METABOLOMICS WORKBENCH tsimaom_20240522_133622 DATATRACK_ID:4858 STUDY_ID:ST003223 ANALYSIS_ID:AN005285 PROJECT_ID:PR002007
VERSION             	1
CREATED_ON             	May 23, 2024, 6:20 am
#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 2 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.: Lipidomics 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 seasonality on the composition. The
ST:STUDY_SUMMARY                 	specimens were grown in the open field and others in the shaded environment of
ST:STUDY_SUMMARY                 	rubber tree (Hevea brasiliensis L.) cultivation. These specimens make up a
ST:STUDY_SUMMARY                 	clonal population of the mother-plant. The collection was made in the four
ST:STUDY_SUMMARY                 	seasons. After a three-phase extraction method on the leaves, the organic phase
ST:STUDY_SUMMARY                 	was analyzed on an ultra-high performance liquid chromatography coupled to
ST:STUDY_SUMMARY                 	electrospray ionization and Orbitrap mass spectrometry (UHPLC-ESI-Orbitrap-MS)
ST:STUDY_SUMMARY                 	system. Acquired data were processed using MS-DIAL 4.9 and MetaboAnalyst 5.0 for
ST:STUDY_SUMMARY                 	multivariate and pathway activity analysis. Chemical variations were
ST:STUDY_SUMMARY                 	investigated employing principal component analysis (PCA), hierarchical cluster
ST:STUDY_SUMMARY                 	analysis (HCA) and partial least squares discriminant analysis (PLS-DA). Through
ST:STUDY_SUMMARY                 	PCA was shown that samples tend to differentiate just according seasonality what
ST:STUDY_SUMMARY                 	was not observed according cultivation area. The most important identified
ST:STUDY_SUMMARY                 	compounds for differentiation according to the seasonality were polyunsaturated
ST:STUDY_SUMMARY                 	lipids with a carbon chain longer than 21 carbons. The pathway with significant
ST:STUDY_SUMMARY                 	variation in response to the seasonality was related to oxidative stress:
ST:STUDY_SUMMARY                 	alpha-linolenic acid metabolism. In this context, the change in the
ST:STUDY_SUMMARY                 	alpha-linolenic acid pathway could be associated with the adaptation of leaves
ST:STUDY_SUMMARY                 	to the drop in temperature that naturally occurs in winter compared to other
ST:STUDY_SUMMARY                 	seasons of the year under analysis. Keywords: Psychotria viridis, seasonality,
ST:STUDY_SUMMARY                 	abiotic stress, liquid chromatography-mass spectrometry; lipidomics.
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	RAW_FILE_NAME(Raw_file_name)=BCor1_N.raw; Type=Blank; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	BExt1_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	RAW_FILE_NAME(Raw_file_name)=BExt1_N.raw; Type=Blank; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QCEq_1_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QCEq_1_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QCEq_2_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QCEq_2_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QCEq_3_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QCEq_3_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QCEq_4_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QCEq_4_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC1_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC1_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SL1O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SL1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SG1O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SG1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WE1O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WE1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FH1O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FH1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WJ1O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WJ1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WE6O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WE6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WL6O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WL6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FH6O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FH6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FL6O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FL6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SD6O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SD6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC2_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC2_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SK6O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SK6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FK1O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FK1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SE6O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SE6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WC1O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WC1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SA1O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SA1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SC6O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SC6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FL1O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FL1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WH1O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WH1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SK1O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SK1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FC6O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FC6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC3_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC3_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FI1O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FI1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WJ6O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WJ6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FJ6O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FJ6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FE6O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FE6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WB6O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WB6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SH1O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SH1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WG6O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WG6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SI6O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SI6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SG6O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SG6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WF1O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WF1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FK6O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FK6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC4_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC4_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WK6O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WK6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SD1O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SD1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WK1O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WK1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FC1O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FC1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FA6O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FA6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FA1O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FA1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FG1O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FG1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SF6O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SF6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FD6O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FD6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FB6O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FB6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WL1O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WL1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC5_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC5_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SF1O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SF1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WD1O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WD1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WH6O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WH6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FI6O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FI6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FD1O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FD1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SE1O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SE1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SJ6O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SJ6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WD6O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WD6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FB1O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FB1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SL6O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SL6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC6_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC6_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WB1O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WB1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WA6O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WA6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SJ1O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SJ1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FG6O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FG6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FJ1O_N	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FJ1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SB6O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SB6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FF6O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FF6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SB1O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SB1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WA1O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WA1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SC1O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SC1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC7_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC7_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WF6O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WF6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WI1O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WI1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FF1O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FF1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WI6O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WI6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WG1O_N	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WG1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	FE1O_N	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FE1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SA6O_N	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SA6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SI1O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SI1O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	WC6O_N	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WC6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	SH6O_N	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SH6O_N.raw; Type=Sample; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	QC8_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC8_N.raw; Type=QC; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	BExt2_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	RAW_FILE_NAME(Raw_file_name)=BExt2_N.raw; Type=Blank; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	BCor2_N	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	RAW_FILE_NAME(Raw_file_name)=BCor2_N.raw; Type=Blank; Ionization mode=Negative
SUBJECT_SAMPLE_FACTORS           	-	BCor1_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	RAW_FILE_NAME(Raw_file_name)=BCor1_P.raw; Type=Blank; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	BExt1_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	RAW_FILE_NAME(Raw_file_name)=BExt1_P.raw; Type=Blank; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QCEq_1_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QCEq_1_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QCEq_2_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QCEq_2_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QCEq_3_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QCEq_3_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QCEq_4_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QCEq_4_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC1_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC1_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SL1O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SL1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SG1O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SG1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WE1O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WE1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FH1O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FH1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WJ1O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WJ1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WE6O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WE6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WL6O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WL6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FH6O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FH6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FL6O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FL6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SD6O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SD6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC2_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC2_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SK6O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SK6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FK1O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FK1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SE6O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SE6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WC1O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WC1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SA1O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SA1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SC6O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SC6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FL1O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FL1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WH1O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WH1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SK1O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SK1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FC6O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FC6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC3_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC3_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FI1O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FI1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WJ6O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WJ6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FJ6O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FJ6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FE6O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FE6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WB6O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WB6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SH1O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SH1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WG6O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WG6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SI6O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SI6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SG6O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SG6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WF1O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WF1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FK6O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FK6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC4_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC4_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WK6O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WK6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SD1O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SD1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WK1O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WK1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FC1O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FC1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FA6O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FA6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FA1O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FA1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FG1O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FG1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SF6O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SF6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FD6O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FD6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FB6O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FB6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WL1O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WL1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC5_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC5_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SF1O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SF1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WD1O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WD1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WH6O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WH6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FI6O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FI6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FD1O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FD1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SE1O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SE1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SJ6O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SJ6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WD6O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WD6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FB1O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FB1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SL6O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SL6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC6_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC6_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WB1O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WB1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WA6O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WA6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SJ1O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SJ1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FG6O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FG6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FJ1O_P	Season collection:Fall | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FJ1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SB6O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SB6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FF6O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FF6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SB1O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SB1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WA1O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WA1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SC1O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SC1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC7_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC7_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WF6O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WF6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WI1O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WI1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FF1O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FF1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WI6O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WI6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WG1O_P	Season collection:Winter | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WG1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	FE1O_P	Season collection:Fall | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=FE1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SA6O_P	Season collection:Summer | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SA6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SI1O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SI1O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	WC6O_P	Season collection:Winter | Treatment cultivation:Shade | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=WC6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	SH6O_P	Season collection:Summer | Treatment cultivation:Sun | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=SH6O_P.raw; Type=Sample; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	QC8_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Leaves	RAW_FILE_NAME(Raw_file_name)=QC8_P.raw; Type=QC; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	BExt2_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	RAW_FILE_NAME(Raw_file_name)=BExt2_P.raw; Type=Blank; Ionization mode=Positive
SUBJECT_SAMPLE_FACTORS           	-	BCor2_P	Season collection:Not applicable | Treatment cultivation:Not applicable | Sample source:Blank	RAW_FILE_NAME(Raw_file_name)=BCor2_P.raw; Type=Blank; 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            	lipidomics, the organic 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                     	40% acetonitrile/60% water; 10 mM ammonium acetate
CH:SOLVENT_B                     	10% acetonitrile/90% isopropanol; 10 mM ammonium acetate
CH:FLOW_GRADIENT                 	0.20 mL/min: 0-2 min, 40% B; 2-3 min, 50% B; 3-6 min, 50% B; 6.1-8 min, 70% B;
CH:FLOW_GRADIENT                 	8-9 min, 100%B; 9-11 mim, 100%; 11-12 min, 40%B; 12-14 min; 40% 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                      	NEGATIVE
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                 	-3.2
MS:MS_RESULTS_FILE               	ST003223_AN005285_Results.txt	UNITS:Peak area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END