#METABOLOMICS WORKBENCH eemipi_20241027_165357 DATATRACK_ID:5318 STUDY_ID:ST003560 ANALYSIS_ID:AN005851 PROJECT_ID:PR002194
VERSION                          	1
CREATED_ON                       	12-16-2024
#PROJECT
PR:PROJECT_TITLE                 	Poplar leaf bud resin metabolomics: Seasonal profiling of leaf bud chemistry in
PR:PROJECT_TITLE                 	Populus trichocarpa provides insight into resin biosynthesis
PR:PROJECT_SUMMARY               	Trees in the genus Populus synthesize sticky and fragrant resins to protect
PR:PROJECT_SUMMARY               	dormant leaf buds during winter. These resins contain diverse phenolic
PR:PROJECT_SUMMARY               	metabolites, in particular hydroxycinnamate esters and methylated flavonoids. P.
PR:PROJECT_SUMMARY               	trichocarpa leaf bud resin is characterized by methylated dihydrochalcone
PR:PROJECT_SUMMARY               	aglycones. To determine how the resin profile is influenced by seasonal changes,
PR:PROJECT_SUMMARY               	P. trichocarpa lateral leaf bud extracts (Total_resin_positive_mode.txt) and
PR:PROJECT_SUMMARY               	secreted surface resin (Surface_resin_positive_mode.txt) were collected monthly
PR:PROJECT_SUMMARY               	over a one-year cycle. The dihydrochalcones in both sets of extracts were
PR:PROJECT_SUMMARY               	quantified using UPLC-MS and other chemical changes monitored using nontargeted
PR:PROJECT_SUMMARY               	metabolomics by UPLC-HRMS. The results indicate that the dihydrochalcone content
PR:PROJECT_SUMMARY               	changes over the seasons and that biosynthesis occurs concomitant with bud
PR:PROJECT_SUMMARY               	development in the summer months. Non-targeted metabolomics data confirmed a
PR:PROJECT_SUMMARY               	pattern of dramatic changes in the summer, and further suggested additional
PR:PROJECT_SUMMARY               	periods of substantive biochemical change in the resin. While overall patterns
PR:PROJECT_SUMMARY               	of surface-extracted resin matched that of whole bud extracts, some of the
PR:PROJECT_SUMMARY               	dynamics were shifted in the surface resin samples. This study provides the
PR:PROJECT_SUMMARY               	basis for the use of dihydrochalcones and other identified resin components as
PR:PROJECT_SUMMARY               	metabolic markers for more detailed investigations of resin biosynthesis,
PR:PROJECT_SUMMARY               	secretion and movement to the bud surface.
PR:INSTITUTE                     	University of Victoria
PR:LAST_NAME                     	Constabel
PR:FIRST_NAME                    	C. Peter
PR:ADDRESS                       	3800 Finnerty Road | Victoria BC | V8P 5C2 Canada
PR:EMAIL                         	cpc@uvic.ca
PR:PHONE                         	(250) 472-5140
PR:DOI                           	http://dx.doi.org/10.21228/M81C1C
PR:CONTRIBUTORS                  	Piirtola, Eerik-Mikael (eerik.piirtola@ubc.ca, Phone: 604 690 0193)
#STUDY
ST:STUDY_TITLE                   	Poplar leaf bud resin metabolomics: Seasonal profiling of leaf bud chemistry in
ST:STUDY_TITLE                   	Populus trichocarpa provides insight into resin biosynthesis
ST:STUDY_SUMMARY                 	Trees in the genus Populus synthesize sticky and fragrant resins to protect
ST:STUDY_SUMMARY                 	dormant leaf buds during winter. These resins contain diverse phenolic
ST:STUDY_SUMMARY                 	metabolites, in particular hydroxycinnamate esters and methylated flavonoids. P.
ST:STUDY_SUMMARY                 	trichocarpa leaf bud resin is characterized by methylated dihydrochalcone
ST:STUDY_SUMMARY                 	aglycones. To determine how the resin profile is influenced by seasonal changes,
ST:STUDY_SUMMARY                 	P. trichocarpa lateral leaf bud extracts and secreted surface resin were
ST:STUDY_SUMMARY                 	collected monthly over a one-year cycle. THE Chemical changes monitored using
ST:STUDY_SUMMARY                 	nontargeted metabolomics by UPLC-HRMS. The results indicate that the
ST:STUDY_SUMMARY                 	dihydrochalcone content changes over the seasons and that biosynthesis occurs
ST:STUDY_SUMMARY                 	concomitant with bud development in the summer months. Non-targeted metabolomics
ST:STUDY_SUMMARY                 	data confirmed a pattern of dramatic changes in the summer, and further
ST:STUDY_SUMMARY                 	suggested additional periods of substantive biochemical change in the resin.
ST:STUDY_SUMMARY                 	While overall patterns of surface-extracted resin matched that of whole bud
ST:STUDY_SUMMARY                 	extracts, some of the dynamics were shifted in the surface resin samples. This
ST:STUDY_SUMMARY                 	study provides the basis for the use of dihydrochalcones and other identified
ST:STUDY_SUMMARY                 	resin components as metabolic markers for more detailed investigations of resin
ST:STUDY_SUMMARY                 	biosynthesis, secretion and movement to the bud surface.
ST:INSTITUTE                     	University of Victoria
ST:LAST_NAME                     	Constabel
ST:FIRST_NAME                    	C. Peter
ST:ADDRESS                       	3800 Finnerty Road | Victoria BC | V8P 5C2 Canada
ST:EMAIL                         	cpc@uvic.ca
ST:PHONE                         	(250) 472-5140
ST:SUBMIT_DATE                   	2024-10-27
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Populus trichocarpa
SU:SPECIES_GROUP                 	Plants
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	B1	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B1.raw
SUBJECT_SAMPLE_FACTORS           	-	B1_2	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B1_2.raw
SUBJECT_SAMPLE_FACTORS           	-	B2	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B2.raw
SUBJECT_SAMPLE_FACTORS           	-	B2_2	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B2_2.raw
SUBJECT_SAMPLE_FACTORS           	-	B3	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B3.raw
SUBJECT_SAMPLE_FACTORS           	-	B3_2	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B3_2.raw
SUBJECT_SAMPLE_FACTORS           	-	B4	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B4.raw
SUBJECT_SAMPLE_FACTORS           	-	B4_2	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B4_2.raw
SUBJECT_SAMPLE_FACTORS           	-	B5	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B5.raw
SUBJECT_SAMPLE_FACTORS           	-	B5_2	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B5_2.raw
SUBJECT_SAMPLE_FACTORS           	-	B6	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B6.raw
SUBJECT_SAMPLE_FACTORS           	-	B6_2	Sample source:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=B6_2.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_001	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_001.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_002	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_002.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_003	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_003.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_004	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_004.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_005	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_005.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_006	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_006.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_007	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_007.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_008	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_008.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_009	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_009.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_010	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_010.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_011	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_011.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_012	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_012.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_013	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_013.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_014	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_014.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_015	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_015.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_016	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_016.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_017	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_017.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_018	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_018.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_019	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_019.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_020	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_020.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_021	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_021.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_022	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_022.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_023	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_023.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_024	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_024.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_025	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_025.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_026	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_026.raw
SUBJECT_SAMPLE_FACTORS           	-	MeOH_027	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=MeOH_027.raw
SUBJECT_SAMPLE_FACTORS           	-	Reserpine_1	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=Reserpine_1.raw
SUBJECT_SAMPLE_FACTORS           	-	Reserpine_2	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=Reserpine_2.raw
SUBJECT_SAMPLE_FACTORS           	-	Reserpine_3	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=Reserpine_3.raw
SUBJECT_SAMPLE_FACTORS           	-	Reserpine_4	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=Reserpine_4.raw
SUBJECT_SAMPLE_FACTORS           	-	Reserpine_5	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=Reserpine_5.raw
SUBJECT_SAMPLE_FACTORS           	-	Reserpine_6	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=Reserpine_6.raw
SUBJECT_SAMPLE_FACTORS           	-	Reserpine_7	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=Reserpine_7.raw
SUBJECT_SAMPLE_FACTORS           	-	Standard_mix_5x_dil_POS	Sample source:Blank | Treatment:Control	RAW_FILE_NAME(Raw file name)=Standard_mix_5x_dil_POS.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S001.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S10	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S010.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S10-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S010-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S10-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S010-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S10-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S010-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S1-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S001-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S11	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S011.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S11-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S011-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S11-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S011-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S11-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S011-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S1-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S001-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S12	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S012.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S12-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S012-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S12-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S012-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S12-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S012-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S1-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S001-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S002.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S2-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S002-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S2-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S002-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S2-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S002-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S003.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S3-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S003-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S3-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S003-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S3-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S003-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S4	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S004.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S4-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S004-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S4-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S004-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S4-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S004-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S5	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S005.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S5-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S005-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S5-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S005-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S5-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S005-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S6	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S006.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S6-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S006-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S6-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S006-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S6-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S006-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S7	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S007.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S7-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S007-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S7-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S007-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S7-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S007-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S8	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S008.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S8-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S008-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S8-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S008-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S8-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S008-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S9	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T1-S009.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S9-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S009-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S9-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S009-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T1-S9-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T1-S009-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S001.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S10	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S010.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S10-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S010-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S10-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S010-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S10-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S010-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S1-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S001-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S11	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S011.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S11-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S011-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S11-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S011-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S11-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S011-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S1-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S001-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S12	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S012.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S12-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S012-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S12-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S012-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S12-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S012-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S1-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S001-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S002.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S2-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S002-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S2-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S002-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S2-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S002-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S003.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S3-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S003-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S3-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S003-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S3-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S003-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S4	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S004.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S4-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S004-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S4-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S004-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S4-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S004-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S5	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S005.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S5-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S005-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S5-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S005-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S5-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S005-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S6	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S006.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S6-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S006-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S6-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S006-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S6-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S006-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S7	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S007.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S7-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S007-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S7-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S007-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S7-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S007-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S8	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S008.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S8-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S008-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S8-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S008-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S8-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S008-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S9	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T2-S009.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S9-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S009-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S9-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S009-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T2-S9-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T2-S009-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S001.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S10	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S010.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S10-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S010-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S10-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S010-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S10-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S010-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S1-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S001-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S11	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S011.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S11-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S011-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S11-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S011-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S11-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S011-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S1-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S001-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S12	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S012.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S12-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S012-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S12-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S012-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S12-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S012-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S1-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S001-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S002.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S2-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S002-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S2-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S002-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S2-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S002-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S003.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S3-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S003-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S3-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S003-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S3-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S003-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S4	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S004.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S4-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S004-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S4-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S004-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S4-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S004-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S5	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S005.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S5-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S005-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S5-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S005-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S5-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S005-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S6	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S006.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S6-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S006-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S6-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S006-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S6-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S006-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S7	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S007.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S7-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S007-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S7-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S007-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S7-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S007-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S8	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S008.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S8-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S008-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S8-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S008-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S8-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S008-3.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S9	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=TOT-T3-S009.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S9-1	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S009-1.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S9-2	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S009-2.raw
SUBJECT_SAMPLE_FACTORS           	-	T3-S9-3	Sample source:Plant | Treatment:Sample	RAW_FILE_NAME(Raw file name)=T3-S009-3.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Poplar leaf bud samples of P. trichocarpa (Nisqually-1) were collected from the
CO:COLLECTION_SUMMARY            	University of Victoria Research Compound (48°27’ N, -123°18’ W). Intact
CO:COLLECTION_SUMMARY            	leaf buds of P. trichocarpa were collected every month (mid-month) for 12 months
CO:COLLECTION_SUMMARY            	from three adjacent clonal trees (biological replicates). For leaf bud
CO:COLLECTION_SUMMARY            	extraction, 10 lateral leaf buds were sampled from each biological replicate
CO:COLLECTION_SUMMARY            	tree and frozen immediately in liquid nitrogen. For the collection of surface
CO:COLLECTION_SUMMARY            	resin, three replicate sets of five similarly sized lateral leaf buds were
CO:COLLECTION_SUMMARY            	collected from individual branches of each tree. Surface resin between May and
CO:COLLECTION_SUMMARY            	July was collected from the entire leaf nodes, which included new buds as well
CO:COLLECTION_SUMMARY            	as resinous expanding leaves, due to the very small size of the developing buds.
CO:SAMPLE_TYPE                   	Plant
#TREATMENT
TR:TREATMENT_SUMMARY             	The surface resin extracts of P. trichocarpa leaf buds were collected by
TR:TREATMENT_SUMMARY             	accurately weighing 0.5 g (fresh weight) of intact lateral leaf buds and
TR:TREATMENT_SUMMARY             	submerging them in 0.1 mL of HPLC-grade methanol per 10 mg of sample. The leaf
TR:TREATMENT_SUMMARY             	buds were stirred for 1 min, after which the supernatant was collected. The
TR:TREATMENT_SUMMARY             	methanol extract was filtered using a 0.20 μm PTFE filter to remove any solid
TR:TREATMENT_SUMMARY             	particles. The extract was dried by transferring 2 mL of methanol extract into
TR:TREATMENT_SUMMARY             	pre-weighed Eppendorf tubes and evaporating the samples using an Eppendorf
TR:TREATMENT_SUMMARY             	concentrator until dry. The dried samples were accurately weighed to determine
TR:TREATMENT_SUMMARY             	the dry weight of the surface resin extracts. The dry extracts were stored at
TR:TREATMENT_SUMMARY             	-20°C prior to the analysis. For whole bud extracts, harvested leaf buds were
TR:TREATMENT_SUMMARY             	homogenized into a fine powder in liquid nitrogen using a ceramic mortar and
TR:TREATMENT_SUMMARY             	pestle and stored at -80°C before extraction. The powder was accurately weighed
TR:TREATMENT_SUMMARY             	to 40 mg (fresh weight) and 1 mL of methanol was added. Samples were vortexed,
TR:TREATMENT_SUMMARY             	sonicated for 10 min in a sonicating water bath, and centrifuged for 10 min at
TR:TREATMENT_SUMMARY             	15000 rpm. The supernatant was collected, and the extraction was repeated on the
TR:TREATMENT_SUMMARY             	remaining plant tissue pellet. Supernatants from both extractions were combined,
TR:TREATMENT_SUMMARY             	and the pooled samples were dried using a SpeedVac for 2 h until dry. The dried
TR:TREATMENT_SUMMARY             	extracts were stored at -20°C prior to analysis. For non-targeted analysis,
TR:TREATMENT_SUMMARY             	nine extraction blanks without tissue were prepared using the same protocol.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Whole leaf bud extracts were reconstituted in 1 mL of methanol. These samples
SP:SAMPLEPREP_SUMMARY            	were normalized by the fresh weight of the extracted whole buds. Surface resin
SP:SAMPLEPREP_SUMMARY            	samples were normalized by the extract dry weight and reconstituted to 100
SP:SAMPLEPREP_SUMMARY            	μg/mL
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Thermo Ultimate 3000 UPLC
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (50 x 2.1mm, 1.7μm)
CH:COLUMN_TEMPERATURE            	30°C
CH:FLOW_GRADIENT                 	1% B (0–0.5 min), 1–99% B (0.5–4.5 min), 99% B (4.5–8 min), 99-1% B
CH:FLOW_GRADIENT                 	(8–8.5 min), and 1% B (8.5–11.5 min)
CH:FLOW_RATE                     	0.35 mL/min
CH:SOLVENT_A                     	100% Water; 0.1% formic acid
CH:SOLVENT_B                     	100% Acetonitrile; 0.1% formic acid
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo LTQ XL
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	The electron spray ion (ESI) source for the MS analysis used the following
MS:MS_COMMENTS                   	parameters: capillary voltage of 34 kV, ionization voltage of 4.0 kV, tube lens
MS:MS_COMMENTS                   	voltage of 100V, sheath gas 40, auxiliary gas 5, and sweep gas 2. The MS full
MS:MS_COMMENTS                   	scan range was 100–2000 m/z, and the MS analysis was performed using positive
MS:MS_COMMENTS                   	ionization modes. ThermoFisher Xcalibur (version 4.6.6717) was used for
MS:MS_COMMENTS                   	reviewing data files.
MS:ION_MODE                      	POSITIVE
MS:MS_RESULTS_FILE               	ST003560_AN005851_Results.txt	UNITS:Peak Area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#END