#METABOLOMICS WORKBENCH XingYu_Ji_20240605_041024 DATATRACK_ID:4900 STUDY_ID:ST003310 ANALYSIS_ID:AN005422 PROJECT_ID:PR002057
VERSION             	1
CREATED_ON             	July 10, 2024, 8:49 pm
#PROJECT
PR:PROJECT_TITLE                 	Quantifying the concentration of endo-borneol via indoor simulated leaching
PR:PROJECT_TITLE                 	based on local precenpitation from 2016 to 2021
PR:PROJECT_SUMMARY               	Endo-borneol is a compound identified in the needle leachates of Pinus
PR:PROJECT_SUMMARY               	koraiensis. In the agroforestry system where Panax ginseng is planted under
PR:PROJECT_SUMMARY               	Pinus koraiensis, it is necessary to evaluate the concentration range of
PR:PROJECT_SUMMARY               	endo-borneol due to natural precipitation, as endo-borneol is proved to
PR:PROJECT_SUMMARY               	facilitate the growth and disease resistance in Panax ginseng at specific
PR:PROJECT_SUMMARY               	concentration interval.
PR:INSTITUTE                     	Yunnan University
PR:DEPARTMENT                    	School of Agriculture
PR:LABORATORY                    	Key Laboratory of Agro-Biodiversity and Pest Management of Education Ministry of
PR:LABORATORY                    	China
PR:LAST_NAME                     	Xing-Yu
PR:FIRST_NAME                    	Ji
PR:ADDRESS                       	Yuhua Road, Chenggong, Kunming, Yunnan Province, China
PR:EMAIL                         	xingyu.ji@hotmail.com
PR:PHONE                         	＋86-13354989110
#STUDY
ST:STUDY_TITLE                   	Determination the concentration of endo-borneol from needle leachates of Pinus
ST:STUDY_TITLE                   	koraiensis flushed by precipitation via indoor simulated leaching)
ST:STUDY_SUMMARY                 	The precipitation from April to October (2016-2021) was provided by local
ST:STUDY_SUMMARY                 	weather burea in Benxi. The monthly precipitation and duration in Benxi is
ST:STUDY_SUMMARY                 	classified into high, medium, and low level. Under each precipitation, the
ST:STUDY_SUMMARY                 	concentration of endo-borneol is quantified by indoor simulated leaching. The
ST:STUDY_SUMMARY                 	simulated leachates were extracted by ethyl acetate and then analyzed by GC/MSD.
ST:STUDY_SUMMARY                 	As a result, the peak area of endo-borneol ranges from 2006.257 to 27106.75
ST:STUDY_SUMMARY                 	under tested precipitation.
ST:INSTITUTE                     	Yunnan University
ST:DEPARTMENT                    	School of Agriculture
ST:LABORATORY                    	Key Laboratory of Agro-Biodiversity and Pest Management of Education Ministry of
ST:LABORATORY                    	China
ST:LAST_NAME                     	Xing-Yu
ST:FIRST_NAME                    	Ji
ST:ADDRESS                       	Road Fengyuan, District Panlong, Kunming, Yunnan, China
ST:EMAIL                         	xingyu.ji@hotmail.com
ST:PHONE                         	＋86-13354989110
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Pinus koraiensis
#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           	-	standard_1	Precipitation:0.05 ng/μL | Sample source:standard	RAW_FILE_NAME(Raw file name)=211020-0.05.D
SUBJECT_SAMPLE_FACTORS           	-	standard_2	Precipitation:0.1 ng/μL | Sample source:standard	RAW_FILE_NAME(Raw file name)=211020-0.1.D
SUBJECT_SAMPLE_FACTORS           	-	standard_3	Precipitation:0.2 ng/μL | Sample source:standard	RAW_FILE_NAME(Raw file name)=211020-0.2.D
SUBJECT_SAMPLE_FACTORS           	-	standard_4	Precipitation:1 ng/μL | Sample source:standard	RAW_FILE_NAME(Raw file name)=211020-1.D
SUBJECT_SAMPLE_FACTORS           	-	standard_5	Precipitation:2 ng/μL | Sample source:standard	RAW_FILE_NAME(Raw file name)=211020-2.D
SUBJECT_SAMPLE_FACTORS           	-	H1	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-H1.D
SUBJECT_SAMPLE_FACTORS           	-	H2	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-H2.D
SUBJECT_SAMPLE_FACTORS           	-	H3	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-H3.D
SUBJECT_SAMPLE_FACTORS           	-	H4	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-H4.D
SUBJECT_SAMPLE_FACTORS           	-	H5	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-H5.D
SUBJECT_SAMPLE_FACTORS           	-	H6	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-H6.D
SUBJECT_SAMPLE_FACTORS           	-	L1	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-L1.D
SUBJECT_SAMPLE_FACTORS           	-	L2	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-L2.D
SUBJECT_SAMPLE_FACTORS           	-	L3	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-L3.D
SUBJECT_SAMPLE_FACTORS           	-	L4	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-L4.D
SUBJECT_SAMPLE_FACTORS           	-	L5	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-L5.D
SUBJECT_SAMPLE_FACTORS           	-	L6	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-L6.D
SUBJECT_SAMPLE_FACTORS           	-	M1	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-M1.D
SUBJECT_SAMPLE_FACTORS           	-	M2	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-M2.D
SUBJECT_SAMPLE_FACTORS           	-	M3	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-M3.D
SUBJECT_SAMPLE_FACTORS           	-	M4	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-M4.D
SUBJECT_SAMPLE_FACTORS           	-	M5	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-M5.D
SUBJECT_SAMPLE_FACTORS           	-	M6	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	RAW_FILE_NAME(Raw file name)=202133232-M6.D
SUBJECT_SAMPLE_FACTORS           	-	solvent_blank	Precipitation:solvent | Sample source:solvent	RAW_FILE_NAME(Raw file name)=solvent_blank.D
#COLLECTION
CO:COLLECTION_SUMMARY            	Based on historical meteorological data, monthly precipitations were graded as
CO:COLLECTION_SUMMARY            	low (34.6 mm, 771.63 min), medium (104.2 mm, 2223.07 min) and high (285.8 mm,
CO:COLLECTION_SUMMARY            	5233.03 min) level. To determine the representative weight of fresh needles per
CO:COLLECTION_SUMMARY            	unit area in the forest of P. koraiensis, the tree canopy aboveground within one
CO:COLLECTION_SUMMARY            	square meter was trimmed, and the fresh needles therein were weighed at five
CO:COLLECTION_SUMMARY            	random points. The average weight (3980.58 g/m2) was then established as the
CO:COLLECTION_SUMMARY            	representative weight of fresh needles per square meter. A weight of 84.03 g
CO:COLLECTION_SUMMARY            	fresh needles were evenly laid on 2-layers absorbent gauze and fixed at the top
CO:COLLECTION_SUMMARY            	of a 5-liter vessel (16.4 cm inside diameter), which was placed on the ground
CO:COLLECTION_SUMMARY            	and filled with certain volume of double distilled water for simulated graded
CO:COLLECTION_SUMMARY            	rainfall based on graded monthly precipitation. A peristaltic pump with a
CO:COLLECTION_SUMMARY            	constant flow rate of 3770 ml/min was used to introduce the water to percolate
CO:COLLECTION_SUMMARY            	through the packed fresh needle surface. The simulated leachates were filtered
CO:COLLECTION_SUMMARY            	twice with qualitative filter paper via suction filtration and stored at 4 °C
CO:COLLECTION_SUMMARY            	for quantification.
CO:SAMPLE_TYPE                   	Leaf leachate
#TREATMENT
TR:TREATMENT_SUMMARY             	A volume of 100 ml of leachates was extracted by 300 ml ethyl acetate then
TR:TREATMENT_SUMMARY             	evaporated by rotary evaporator at 45°C with 4°C-condensed water recycled in
TR:TREATMENT_SUMMARY             	low-temperature circulator. The remaining sediment was rinsed with 2.5 ml of
TR:TREATMENT_SUMMARY             	hexane. The liquid hexane was filtered using a 0.22 um Millipore filter for
TR:TREATMENT_SUMMARY             	further analysis.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	After rotary evaporation, the remaining sediment was washed out with 5 ml of
SP:SAMPLEPREP_SUMMARY            	ethyl acetate. The ethyl acetate was then filtered with a 0.22 um Millipore
SP:SAMPLEPREP_SUMMARY            	filter for analysis. A series concentration of endo-borneol standard were
SP:SAMPLEPREP_SUMMARY            	formulated in ethyl acetate to create a standard curve.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The temperature program started from an initial temperature of 50 ℃, followed
CH:CHROMATOGRAPHY_SUMMARY        	by an increase of 12℃/min to 160 ℃.
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 8860 GC
CH:COLUMN_NAME                   	Agilent HP5-MS (30m x 0.25mm, 0.25 um)
CH:SOLVENT_A                     	Not applicable
CH:SOLVENT_B                     	Not applicable
CH:FLOW_GRADIENT                 	Not applicable
CH:FLOW_RATE                     	Not applicable
CH:COLUMN_TEMPERATURE            	50 - 160
CH:INJECTION_TEMPERATURE         	200 ℃
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 5977B
MS:INSTRUMENT_TYPE               	GC/MSD
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	An electron ionization system with ionization energy of 7 eV was used. Helium
MS:MS_COMMENTS                   	gas (99.999%) was used as the carrier gas at constant flow rate 1 ml/min and an
MS:MS_COMMENTS                   	injection volume of 1 ul was employed. The ion-source temperature was 230 °C.
MS:MS_COMMENTS                   	The scan interval of mass spectra was 3.1 units/s and fragments from 35 to 270
MS:MS_COMMENTS                   	da. Afterwards, Agilent MassHunter Workstation Quantitative Analysis B.07.01
MS:MS_COMMENTS                   	were used as analytical software. The mass spectrum of the individual peak was
MS:MS_COMMENTS                   	inspected manually to confirm the peak had the correct m/z diagnostic fragments,
MS:MS_COMMENTS                   	matched with the search results from NIST MS Search 2.2 library. For
MS:MS_COMMENTS                   	endo-borneol, the target ion is m/z 95, and qualifier ions are m/z 110 and m/z
MS:MS_COMMENTS                   	67.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	standard_1	standard_2	standard_3	standard_4	standard_5	H1	H2	H3	H4	H5	H6	L1	L2	L3	L4	L5	L6	M1	M2	M3	M4	M5	M6	solvent_blank
Factors	Precipitation:0.05 ng/μL | Sample source:standard	Precipitation:0.1 ng/μL | Sample source:standard	Precipitation:0.2 ng/μL | Sample source:standard	Precipitation:1 ng/μL | Sample source:standard	Precipitation:2 ng/μL | Sample source:standard	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	Precipitation:high level | Sample source:Pinus koraiensis leaf leachate	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	Precipitation:low level | Sample source:Pinus koraiensis leaf leachate	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	Precipitation:medium level | Sample source:Pinus koraiensis leaf leachate	Precipitation:solvent | Sample source:solvent
endo-borneol	2431	5420	13168	85685	180332	27106.74664	21932.49085	26502.03031	24828.10107	25171.98278	24911.03616	4959.515829	5939.907034	2753.115279	3068.622912	2351.844628	2006.257158	20873.03626	11897.40655	15275.51294	8956.121666	16697.36107	15932.95399	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
endo-borneol
METABOLITES_END
#END