#METABOLOMICS WORKBENCH zhaohuifang_20210107_054155 DATATRACK_ID:2384 STUDY_ID:ST001648 ANALYSIS_ID:AN002694 PROJECT_ID:PR001054
VERSION             	1
CREATED_ON             	January 13, 2021, 9:54 am
#PROJECT
PR:PROJECT_TITLE                 	Comprehensive dissection of primary metabolites in response to diverse abiotic
PR:PROJECT_TITLE                 	stress in barley at seedling stage
PR:PROJECT_TYPE                  	Artical
PR:PROJECT_SUMMARY               	Plants will meet various abiotic stresses during their growth and development.
PR:PROJECT_SUMMARY               	One of the important strategies for plants to deal with the stress is involved
PR:PROJECT_SUMMARY               	in metabolic regulation, causing the dramatic changes of metabolite profiles.
PR:PROJECT_SUMMARY               	Metabolomic studies have been intensively conducted to reveal the responses of
PR:PROJECT_SUMMARY               	plants to abiotic stress, but most of them were limited to one or at most two
PR:PROJECT_SUMMARY               	abiotic stresses in a single experiment. In this study, we compared the
PR:PROJECT_SUMMARY               	metabolite profiles of barley seedlings exposed to seven abiotic stresses
PR:PROJECT_SUMMARY               	simultaneously, including drought, salt stress, aluminum (Al), cadmium (Cd),
PR:PROJECT_SUMMARY               	deficiency of nitrogen (N), phosphorus (P) and potassium (K). The results showed
PR:PROJECT_SUMMARY               	that metabolite profiles of barley under these stresses could be classified into
PR:PROJECT_SUMMARY               	three types: osmotic stresses (drought and salt); metal stresses (Al and Cd) and
PR:PROJECT_SUMMARY               	nutrient deficiencies (N, P and K deficiencies). Compared with the control, some
PR:PROJECT_SUMMARY               	metabolites (including polyamines, raffinose and piperonic acid) in plants
PR:PROJECT_SUMMARY               	exposed to all abiotic stresses changed significantly, while some other
PR:PROJECT_SUMMARY               	metabolites showed the specific change only under a certain abiotic stress, such
PR:PROJECT_SUMMARY               	as proline being largely increased by osmotic stress (drought and salinity), the
PR:PROJECT_SUMMARY               	P-containing metabolites being largely decreased under P deficiency, some amino
PR:PROJECT_SUMMARY               	acids (lysine, tyrosine, threonine, ornithine， glutamine and so on) showing
PR:PROJECT_SUMMARY               	the dramatic reduction in the plants exposed to N deficiencies, respectively.
PR:PROJECT_SUMMARY               	The current meta-analysis obtained a comprehensive view on the metabolic
PR:PROJECT_SUMMARY               	responses to various abiotic stress, and improved the understanding of the
PR:PROJECT_SUMMARY               	mechanisms for tolerance of barley to abiotic stress.
PR:INSTITUTE                     	Zhengjiang University
PR:DEPARTMENT                    	Crop Research Institute
PR:LABORATORY                    	Barley Research Group of Crop Institute
PR:LAST_NAME                     	Zhao
PR:FIRST_NAME                    	Huifang
PR:ADDRESS                       	West Lake District, 866 Yuhangtang Road
PR:EMAIL                         	11716028@zju.edu.cn
PR:PHONE                         	18888923662
PR:FUNDING_SOURCE                	National Key R.D; Program of China; Natural Science Foundation of China; China
PR:FUNDING_SOURCE                	Agriculture Research System
PR:PUBLICATIONS                  	PLANT PHYSIOLOGY A.D; BIOCHEMISTRY
#STUDY
ST:STUDY_TITLE                   	Comprehensive dissection of primary metabolites in response to diverse abiotic
ST:STUDY_TITLE                   	stress in barley at seedling stage
ST:STUDY_TYPE                    	Artical
ST:STUDY_SUMMARY                 	Plants will meet various abiotic stresses during their growth and development.
ST:STUDY_SUMMARY                 	One of the important strategies for plants to deal with the stress is involved
ST:STUDY_SUMMARY                 	in metabolic regulation, causing the dramatic changes of metabolite profiles.
ST:STUDY_SUMMARY                 	Metabolomic studies have been intensively conducted to reveal the responses of
ST:STUDY_SUMMARY                 	plants to abiotic stress, but most of them were limited to one or at most two
ST:STUDY_SUMMARY                 	abiotic stresses in a single experiment. In this study, we compared the
ST:STUDY_SUMMARY                 	metabolite profiles of barley seedlings exposed to seven abiotic stresses
ST:STUDY_SUMMARY                 	simultaneously, including drought, salt stress, aluminum (Al), cadmium (Cd),
ST:STUDY_SUMMARY                 	deficiency of nitrogen (N), phosphorus (P) and potassium (K). The results showed
ST:STUDY_SUMMARY                 	that metabolite profiles of barley under these stresses could be classified into
ST:STUDY_SUMMARY                 	three types: osmotic stresses (drought and salt); metal stresses (Al and Cd) and
ST:STUDY_SUMMARY                 	nutrient deficiencies (N, P and K deficiencies). Compared with the control, some
ST:STUDY_SUMMARY                 	metabolites (including polyamines, raffinose and piperonic acid) in plants
ST:STUDY_SUMMARY                 	exposed to all abiotic stresses changed significantly, while some other
ST:STUDY_SUMMARY                 	metabolites showed the specific change only under a certain abiotic stress, such
ST:STUDY_SUMMARY                 	as proline being largely increased by osmotic stress (drought and salinity), the
ST:STUDY_SUMMARY                 	P-containing metabolites being largely decreased under P deficiency, some amino
ST:STUDY_SUMMARY                 	acids (lysine, tyrosine, threonine, ornithine， glutamine and so on) showing
ST:STUDY_SUMMARY                 	the dramatic reduction in the plants exposed to N deficiencies, respectively.
ST:STUDY_SUMMARY                 	The current meta-analysis obtained a comprehensive view on the metabolic
ST:STUDY_SUMMARY                 	responses to various abiotic stress, and improved the understanding of the
ST:STUDY_SUMMARY                 	mechanisms for tolerance of barley to abiotic stress.
ST:INSTITUTE                     	Zhengjiang University
ST:DEPARTMENT                    	Crop Research Institute
ST:LABORATORY                    	Barley Research Group of Crop Institute
ST:LAST_NAME                     	Zhao
ST:FIRST_NAME                    	Huifang
ST:ADDRESS                       	West Lake District, 866 Yuhangtang Road
ST:EMAIL                         	11716028@zju.edu.cn
ST:PHONE                         	18888923662
ST:NUM_GROUPS                    	1
ST:TOTAL_SUBJECTS                	1
ST:NUM_MALES                     	2
ST:NUM_FEMALES                   	1
ST:PUBLICATIONS                  	PLANT PHYSIOLOGY A.D; BIOCHEMISTRY
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Hordeum vulgare L.
SU:TAXONOMY_.D;                   	4513
#FACTORS
#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           	-	shoot-1	Treatment:Shoot_Control-1	RAW_FILE_NAME=GCMS 01.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-2	Treatment:Shoot_Control-2	RAW_FILE_NAME=GCMS 02.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-3	Treatment:Shoot_Control-3	RAW_FILE_NAME=GCMS 03.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-4	Treatment:Shoot_Control-4	RAW_FILE_NAME=GCMS 04.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-5	Treatment:Shoot_Salt-1	RAW_FILE_NAME=GCMS 05.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-6	Treatment:Shoot_Salt-2	RAW_FILE_NAME=GCMS 06.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-7	Treatment:Shoot_Salt-3	RAW_FILE_NAME=GCMS 07.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-8	Treatment:Shoot_Salt-4	RAW_FILE_NAME=GCMS 08.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-9	Treatment:Shoot_Drought-1	RAW_FILE_NAME=GCMS 09.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-10	Treatment:Shoot_Drought-2	RAW_FILE_NAME=GCMS 10.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-11	Treatment:Shoot_Drought-3	RAW_FILE_NAME=GCMS 11.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-12	Treatment:Shoot_Drought-4	RAW_FILE_NAME=GCMS 12.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-13	Treatment:Shoot_Al-1	RAW_FILE_NAME=GCMS 17.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-14	Treatment:Shoot_Al-2	RAW_FILE_NAME=GCMS 18.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-15	Treatment:Shoot_Al-3	RAW_FILE_NAME=GCMS 19.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-16	Treatment:Shoot_Al-4	RAW_FILE_NAME=GCMS 20.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-17	Treatment:Shoot_Cd-1	RAW_FILE_NAME=GCMS 21.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-18	Treatment:Shoot_Cd-2	RAW_FILE_NAME=GCMS 22.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-19	Treatment:Shoot_Cd-3	RAW_FILE_NAME=GCMS 23.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-20	Treatment:Shoot_Cd-4	RAW_FILE_NAME=GCMS 24.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-21	Treatment:Shoot_N deficiency-1	RAW_FILE_NAME=GCMS 25.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-22	Treatment:Shoot_N deficiency-2	RAW_FILE_NAME=GCMS 26.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-23	Treatment:Shoot_N deficiency-3	RAW_FILE_NAME=GCMS 27.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-24	Treatment:Shoot_N deficiency-4	RAW_FILE_NAME=GCMS 28.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-25	Treatment:Shoot_P deficiency-1	RAW_FILE_NAME=GCMS 29.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-26	Treatment:Shoot_P deficiency-2	RAW_FILE_NAME=GCMS 30.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-27	Treatment:Shoot_P deficiency-3	RAW_FILE_NAME=GCMS 31.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-28	Treatment:Shoot_P deficiency-4	RAW_FILE_NAME=GCMS 32.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-29	Treatment:Shoot_K deficiency-1	RAW_FILE_NAME=GCMS 33.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-30	Treatment:Shoot_K deficiency-2	RAW_FILE_NAME=GCMS 34.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-31	Treatment:Shoot_K deficiency-3	RAW_FILE_NAME=GCMS 35.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	shoot-32	Treatment:Shoot_K deficiency-4	RAW_FILE_NAME=GCMS 36.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-1	Treatment:Root_Control-1	RAW_FILE_NAME=GCMS 45.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-2	Treatment:Root_Control-2	RAW_FILE_NAME=GCMS 46.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-3	Treatment:Root_Control-3	RAW_FILE_NAME=GCMS 47.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-4	Treatment:Root_Control-4	RAW_FILE_NAME=GCMS 48.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-5	Treatment:Root_Salt-1	RAW_FILE_NAME=GCMS 49.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-6	Treatment:Root_Salt-2	RAW_FILE_NAME=GCMS 50.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-7	Treatment:Root_Salt-3	RAW_FILE_NAME=GCMS 51.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-8	Treatment:Root_Salt-4	RAW_FILE_NAME=GCMS 52.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-9	Treatment:Root_Drought-1	RAW_FILE_NAME=GCMS 53.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-10	Treatment:Root_Drought-2	RAW_FILE_NAME=GCMS 54.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-11	Treatment:Root_Drought-3	RAW_FILE_NAME=GCMS 55.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-12	Treatment:Root_Drought-4	RAW_FILE_NAME=GCMS 56.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-13	Treatment:Root_Al-1	RAW_FILE_NAME=GCMS 61.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-14	Treatment:Root_Al-2	RAW_FILE_NAME=GCMS 62.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-15	Treatment:Root_Al-3	RAW_FILE_NAME=GCMS 63.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-16	Treatment:Root_Al-4	RAW_FILE_NAME=GCMS 64.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-17	Treatment:Root_Cd-1	RAW_FILE_NAME=GCMS 65.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-18	Treatment:Root_Cd-2	RAW_FILE_NAME=GCMS 66.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-19	Treatment:Root_Cd-3	RAW_FILE_NAME=GCMS 67.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-20	Treatment:Root_Cd-4	RAW_FILE_NAME=GCMS 68.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-21	Treatment:Root_N deficiency-1	RAW_FILE_NAME=GCMS 69.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-22	Treatment:Root_N deficiency-2	RAW_FILE_NAME=GCMS 70.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-23	Treatment:Root_N deficiency-3	RAW_FILE_NAME=GCMS 71.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-24	Treatment:Root_N deficiency-4	RAW_FILE_NAME=GCMS 72.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-25	Treatment:Root_P deficiency-1	RAW_FILE_NAME=GCMS 73.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-26	Treatment:Root_P deficiency-2	RAW_FILE_NAME=GCMS 74.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-27	Treatment:Root_P deficiency-3	RAW_FILE_NAME=GCMS 75.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-28	Treatment:Root_P deficiency-4	RAW_FILE_NAME=GCMS 76.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-29	Treatment:Root_K deficiency-1	RAW_FILE_NAME=GCMS 77.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-30	Treatment:Root_K deficiency-2	RAW_FILE_NAME=GCMS 78.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-31	Treatment:Root_K deficiency-3	RAW_FILE_NAME=GCMS 79.D;  Genotype=Wild-type
SUBJECT_SAMPLE_FACTORS           	-	root-32	Treatment:Root_K deficiency-4	RAW_FILE_NAME=GCMS 80.D;  Genotype=Wild-type
#COLLECTION
CO:COLLECTION_SUMMARY            	Barley seedlings were allowed to grow up to two-leaf-stage in the normal
CO:COLLECTION_SUMMARY            	hydroponic solution, and then exposed to various treatments after removing
CO:COLLECTION_SUMMARY            	endosperm for eliminating its nutrient supply. The treatments included 20% PEG
CO:COLLECTION_SUMMARY            	for drought stress, 150 mM NaCl for salt stress, 50 μM Al3+ at pH 4.5 for
CO:COLLECTION_SUMMARY            	aluminum stress (Al stress, at the same time the nutrient solution with pH 4.5
CO:COLLECTION_SUMMARY            	and without Al addition used as control), 5 μM CdCl2 for cadmium stress (Cd
CO:COLLECTION_SUMMARY            	stress), 0 mM N for N deficiency (replace KNO3, Ca(NO3).4H2O and (NH4)6Mo7O24
CO:COLLECTION_SUMMARY            	with 1mM CaCl2, 1mM KH2PO4 and 0.07 mM H2MoO4), 0 mM P for P deficiency (replace
CO:COLLECTION_SUMMARY            	NH4H2PO4 with 1mM NH4Cl), 0 mM K for K deficiency (replace KNO3 with 1mM NaNO3).
CO:COLLECTION_SUMMARY            	The hydroponic solution was renewed every four days. After twenty days of the
CO:COLLECTION_SUMMARY            	treatments, the plants were harvested, and fresh and dry weight were recorded
CO:COLLECTION_SUMMARY            	quickly. The dry tissues were used for mineral element concentration analysis
CO:COLLECTION_SUMMARY            	with three biological replicates for each treatment. Meanwhile, fresh tissues
CO:COLLECTION_SUMMARY            	were frozen in liquid nitrogen and stored at -80 ℃ for metabolite analysis
CO:COLLECTION_SUMMARY            	with four biological replicates for each stress treatment.
CO:SAMPLE_TYPE                   	Plant
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	The treatments included 20% PEG for drought stress, 150 mM NaCl for salt stress,
TR:TREATMENT_SUMMARY             	50 μM Al3+ at pH 4.5 for aluminum stress (Al stress, at the same time the
TR:TREATMENT_SUMMARY             	nutrient solution with pH 4.5 and without Al addition used as control), 5 μM
TR:TREATMENT_SUMMARY             	CdCl2 for cadmium stress (Cd stress), 0 mM N for N deficiency (replace KNO3,
TR:TREATMENT_SUMMARY             	Ca(NO3).4H2O and (NH4)6Mo7O24 with 1mM CaCl2, 1mM KH2PO4 and 0.07 mM H2MoO4), 0
TR:TREATMENT_SUMMARY             	mM P for P deficiency (replace NH4H2PO4 with 1mM NH4Cl), 0 mM K for K deficiency
TR:TREATMENT_SUMMARY             	(replace KNO3 with 1mM NaNO3).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The frozen tissue was homogenized in liquid nitrogen and approximately 100 mg of
SP:SAMPLEPREP_SUMMARY            	powder sample was added into 2 ml vertical centrifuge tube. Then 1.4 ml of 100%
SP:SAMPLEPREP_SUMMARY            	methanol (pre-cooled at -20 °C) was added and vortexed thoroughly. Then the
SP:SAMPLEPREP_SUMMARY            	tubes were shaken for 10 min at 70 °C, followed by centrifugation at 11,000 g
SP:SAMPLEPREP_SUMMARY            	for 10 min. The supernatant was transferred into a new 10 ml sterile centrifuge
SP:SAMPLEPREP_SUMMARY            	tube, and 750 μl chloroform (−20 °C) and 1.5 ml deionized water (4 °C) were
SP:SAMPLEPREP_SUMMARY            	added. The mixture was vortexed and centrifuged at 2200 g for 15 min. The upper
SP:SAMPLEPREP_SUMMARY            	methanol/water phase was collected for metabolite analysis. A total of 150 μl
SP:SAMPLEPREP_SUMMARY            	collected solution was dried in a vacuum freeze dryer. The dried residue was
SP:SAMPLEPREP_SUMMARY            	derivatized in 40 μl of 15 mg ml-1 methoxylamine hydrochloride in pyridine for
SP:SAMPLEPREP_SUMMARY            	120 min at 37 °C, followed by reaction with 70 μl of
SP:SAMPLEPREP_SUMMARY            	N-Methyl-N-(trimethylsilyl) trifluoroacetamide (MSTFA) reagent for another 30
SP:SAMPLEPREP_SUMMARY            	min at 37 °C. After the reaction, the reacted solution was transferred to glass
SP:SAMPLEPREP_SUMMARY            	vial insert in 2 ml glass bottle (Agilent, USA) for GC-MS determination.
SP:SAMPLEPREP_SUMMARY            	Meanwhile, one blank derivatization reaction (with reagent) was also prepared as
SP:SAMPLEPREP_SUMMARY            	a control.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent DB5-MS (30m x 0.25mm, 0.25um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 7890A
MS:INSTRUMENT_TYPE               	GC-TOF
MS:MS_TYPE                       	API
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	The retention time (RT) and mass spectra of each compound were analyzed using
MS:MS_COMMENTS                   	AMDIS (Automated Mass Spectral Deconvolution and Identification System) software
MS:MS_COMMENTS                   	(http://chemdata.nist.gov/).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmoles/l
MS_METABOLITE_DATA_START
Samples	shoot-1	shoot-2	shoot-3	shoot-4	shoot-5	shoot-6	shoot-7	shoot-8	shoot-9	shoot-10	shoot-11	shoot-12	shoot-13	shoot-14	shoot-15	shoot-16	shoot-17	shoot-18	shoot-19	shoot-20	shoot-21	shoot-22	shoot-23	shoot-24	shoot-25	shoot-26	shoot-27	shoot-28	shoot-29	shoot-30	shoot-31	shoot-32	root-1	root-2	root-3	root-4	root-5	root-6	root-7	root-8	root-9	root-10	root-11	root-12	root-13	root-14	root-15	root-16	root-17	root-18	root-19	root-20	root-21	root-22	root-23	root-24	root-25	root-26	root-27	root-28	root-29	root-30	root-31	root-32
Factors	Treatment:Shoot_Control-1	Treatment:Shoot_Control-2	Treatment:Shoot_Control-3	Treatment:Shoot_Control-4	Treatment:Shoot_Salt-1	Treatment:Shoot_Salt-2	Treatment:Shoot_Salt-3	Treatment:Shoot_Salt-4	Treatment:Shoot_Drought-1	Treatment:Shoot_Drought-2	Treatment:Shoot_Drought-3	Treatment:Shoot_Drought-4	Treatment:Shoot_Al-1	Treatment:Shoot_Al-2	Treatment:Shoot_Al-3	Treatment:Shoot_Al-4	Treatment:Shoot_Cd-1	Treatment:Shoot_Cd-2	Treatment:Shoot_Cd-3	Treatment:Shoot_Cd-4	Treatment:Shoot_N deficiency-1	Treatment:Shoot_N deficiency-2	Treatment:Shoot_N deficiency-3	Treatment:Shoot_N deficiency-4	Treatment:Shoot_P deficiency-1	Treatment:Shoot_P deficiency-2	Treatment:Shoot_P deficiency-3	Treatment:Shoot_P deficiency-4	Treatment:Shoot_K deficiency-1	Treatment:Shoot_K deficiency-2	Treatment:Shoot_K deficiency-3	Treatment:Shoot_K deficiency-4	Treatment:Root_Control-1	Treatment:Root_Control-2	Treatment:Root_Control-3	Treatment:Root_Control-4	Treatment:Root_Salt-1	Treatment:Root_Salt-2	Treatment:Root_Salt-3	Treatment:Root_Salt-4	Treatment:Root_Drought-1	Treatment:Root_Drought-2	Treatment:Root_Drought-3	Treatment:Root_Drought-4	Treatment:Root_Al-1	Treatment:Root_Al-2	Treatment:Root_Al-3	Treatment:Root_Al-4	Treatment:Root_Cd-1	Treatment:Root_Cd-2	Treatment:Root_Cd-3	Treatment:Root_Cd-4	Treatment:Root_N deficiency-1	Treatment:Root_N deficiency-2	Treatment:Root_N deficiency-3	Treatment:Root_N deficiency-4	Treatment:Root_P deficiency-1	Treatment:Root_P deficiency-2	Treatment:Root_P deficiency-3	Treatment:Root_P deficiency-4	Treatment:Root_K deficiency-1	Treatment:Root_K deficiency-2	Treatment:Root_K deficiency-3	Treatment:Root_K deficiency-4
fructose	155327	181790	141378	90364	321433	374823	299366	260111	568503	551752	400628	496378	340207	296972	206102	196675	260779	235962	224807	240516	700252	801645	826038	626410	219570	230952	222512	214571	402175	441309	362540	418252	17457	17693	17676	16997	53882	54670	50342	56633	155730	137141	160284	169753	749433	853575	862181	821734	255281	202106	216701	224698	284567	278611	307191	267634	48625	47732	62607	52996	128073	119264	112284	143718
galactinol	34990	36408	35435	35611	17335	9100	7845	12845	8596	13839	11623	12920	22920	36184	22855	21723	21298	25296	24687	23760	18935	17052	18493	13087	29709	31541	29030	28259	20157	23529	26411	25328	4949	3882	3616	4149	3170	2558	4108	4537	13360	15142	12739	12199	2618	3550	2774	2596	27757	26663	30802	25804	10369	15041	12537	11750	17549	18129	17343	17169	7254	6242	7039	8474
galactose	47369	42804	44927	21292	88370	146834	78718	87326	136283	203334	175246	155760	87319	74608	55569	48218	96186	78752	55269	76211	208763	342304	242974	158718	65692	71244	69083	72142	144890	145938	129993	147991	23449	23440	20832	22573	74459	88664	69745	64970	38567	38509	40932	36256	137885	190217	174528	155501	116191	105215	96837	96747	62488	105226	66037	77933	64713	60226	60907	72982	109500	107268	97058	124052
glucose	231810	231810	239859	223762	297635	649237	408592	414354	702001	608466	802031	695505	427954	298329	362645	268576	454601	401536	285284	366970	805055	929426	1048367	692978	334282	344296	364318	363980	655485	682174	706848	577432	30365	23871	28527	38691	79885	55188	65548	68569	56852	33828	41524	39746	137777	190673	174413	155368	102747	115592	96631	96008	60985	100040	61203	74091	59073	51030	60713	65456	100593	80251	97257	124145
glucose-6-p	19651	16796	21064	19170	11769	12007	12336	10963	13329	12784	14438	12766	34609	30270	32925	30614	17600	19350	15279	17410	20696	31970	26208	26291	9387	10760	9002	8398	20971	27011	24784	23117	5046	5801	6969	5938	7626	5930	8192	7250	6951	6900	7000	6950	1973	2266	2275	2549	4451	2806	4450	2806	5614	3128	3329	4024	2767	2446	1822	2345	1968	1555	2392	1954
maltose	1338	1514	1161	1338	5534	5701	5012	5889	1352	1415	1510	1426	4369	4070	3970	4170	3010	3133	3606	3250	4061	3251	3371	3548	5677	5640	6543	5953	5247	5836	6609	5897	795	1395	1005	1185	373	280	166	673	265	497	334	892	992	1585	881	1153	1369	1812	1823	1668	1196	954	1836	1330	1540	2355	1297	966	1538	2679	1232	1815
mannose-6-p	16726	15452	19663	17280	14119	8481	10219	10940	10824	10010	12341	10122	34552	30265	32967	30705	17552	19178	15102	15233	20483	31724	24466	25558	7597	7187	8793	7859	26638	20158	24801	22956	7439	8135	6115	8067	13022	11116	14730	13219	20365	24163	20353	16577	17350	19364	19653	17984	32836	28695	24212	29448	10264	10180	10115	10490	1847	2146	1541	1855	2906	1923	3977	2814
raffinose	221212	206269	229832	227536	123190	199754	200509	129308	212958	254626	180299	203949	155632	150047	150983	165867	199206	232570	211373	214383	221417	243548	187865	232838	174058	190534	176574	155066	98593	90135	96322	93321	2796	2796	2795	2796	238712	215690	261732	238719	204199	252076	252077	204196	328660	295496	263484	295882	247516	211838	377096	153586	260289	105772	246219	204156	168025	137954	198043	77997	376851	467998	431394	230942
sucrose	1101987	824334	1307631	1173997	1517044	1666647	1654145	1528796	1447309	1333167	1469562	1350812	1534590	1383235	1707038	1983459	1580127	2199346	1603939	1556315	2105370	2400371	1990495	1970244	2013012	1484183	2150042	1882412	2297164	1938957	1799453	2328813	280376	282377	265481	297221	709059	568928	631136	636393	703873	487433	628602	510905	847896	867722	907396	874343	942112	949982	1009088	867174	692449	699716	688735	688301	549548	470994	591461	586012	895638	1079125	688905	886974
xylose	38479	39013	37945	38746	42667	46713	39202	42086	51341	59108	49927	48328	58739	46991	47519	51083	32447	33575	30889	32304	51507	44472	42363	41423	36844	38385	31668	45102	30760	36106	33442	33436	9435	9059	9692	9552	8631	7161	8562	8118	3770	3312	3336	4661	16526	22239	22750	22614	7741	7158	9989	6075	11916	13312	8971	11916	14472	14079	13225	16106	12074	11808	11242	13158
psicose	116484	117526	141348	125119	434439	527545	362372	413399	438691	552155	481129	487216	345139	291449	205757	280782	260684	236115	225218	240672	787498	851696	751040	759758	220102	213240	220385	214397	388587	423424	406006	411616	16904	17787	15888	17034	54049	54922	50377	56849	134493	121321	138860	143285	749881	786517	835844	790752	255391	202656	217391	225148	217569	278929	158232	308395	48695	47377	62758	66170	124084	119390	112765	139956
mannitol	2212	1970	2153	2514	2516	3771	2082	2790	8783	11208	9425	10146	2101	3597	1050	1656	4766	5444	5417	5209	2261	5536	3504	3767	1869	1891	1533	1764	3035	3492	2658	2954	396	219	674	296	838	576	457	624	633	635	695	603	573	561	676	235	3005	4423	3882	3770	2303	1681	3178	2046	3956	1704	2451	1832	1139	1122	894	1400
myo-inositol	57509	55101	64959	59190	46913	54832	41336	44571	64773	73497	62990	66831	60459	54076	65555	60030	55490	69103	64104	62585	123601	84576	102576	103584	67518	74327	71270	67177	52062	55164	50252	50769	9179	9645	8193	9699	23401	22253	25948	22002	81828	91690	84044	79608	122323	145103	133641	145327	33316	33891	32628	30479	28465	30572	24359	30443	20782	20298	32590	24560	15455	16459	14983	14908
beta-alanine	7800	8252	7486	8113	10904	17196	18176	15425	18570	18626	17836	18344	11422	12023	12086	10158	9207	10132	8467	9022	10804	13912	15822	13513	7115	6424	8364	6556	8903	10502	9703	9144	5102	3894	4381	4458	6608	5882	6575	6356	13384	14929	18785	15700	7310	7844	7181	6904	5387	5689	4753	5716	4610	5619	2317	5891	5845	4792	5127	6736	5569	5092	4992	7045
glycine	44868	47579	43200	43826	51058	56101	56468	40604	46934	48519	48829	43454	50771	44469	47620	46045	41778	41696	43403	40236	34694	36523	32088	36957	49000	49903	47896	49200	34117	34988	35278	34698	5341	4870	5340	4869	17309	14860	14556	15575	9510	8000	7571	8360	26247	33192	49314	20719	16121	25146	11272	11944	4591	4811	6557	5321	17659	10770	23682	18524	3880	3280	2961	6483
aspartic acid	476825	497714	571252	515264	137674	228626	224385	196895	339480	352207	407268	337101	196352	195100	218020	175935	354104	482860	399043	304143	184571	162132	171068	136829	401501	303020	332193	295556	320471	397534	321316	349345	162847	130588	149921	161747	126093	82502	97960	114021	121048	134468	126564	127361	172970	225334	210627	205293	131541	127385	106496	121808	125198	141318	111066	165644	231629	183958	243224	267638	99262	94578	96038	107063
glutamic acid	255345	268416	341946	288569	255980	202546	150605	214788	293576	291956	304028	296692	241839	271039	329477	280785	316361	383059	307768	293713	178738	245497	205312	188228	329483	351271	317149	320028	321953	346786	314309	327683	58419	56188	63615	55442	83649	59302	77844	79903	232913	216495	265067	217156	116791	152873	129746	109067	111985	118161	105228	111792	111194	112637	100196	120661	118911	107986	120242	128464	71502	96710	75910	80394
isoleucine	16510	14136	15553	15400	44950	39555	49880	45415	29439	30302	30124	27891	21208	17883	27933	17807	9943	9853	5313	7584	14182	13932	12862	12299	8233	10214	8459	8969	10916	11563	9569	9381	6040	6217	5368	6709	21036	20073	21415	15842	24335	29358	32917	23284	15391	14547	13975	10155	9972	9796	12134	7987	7486	11711	7065	9881	15706	14309	13815	15866	15807	20010	13408	19509
lysine	38065	41969	51185	36656	79750	102918	80590	87753	39879	50348	42532	44253	19887	20526	22582	16554	13447	14827	15029	14434	13295	14560	13067	15849	10201	9012	10482	12367	19479	19338	23117	17954	7984	8311	7086	8555	32911	16974	23583	23770	35996	40522	40198	26133	41451	22177	35672	20951	22854	17961	13036	14583	2372	3269	1502	4618	9064	10180	9681	11324	24634	29185	25960	25534
phenylalanine	12239	14258	13510	13249	70879	96547	86961	74797	71758	67280	65141	68060	20678	24960	17125	19949	7929	7933	7141	7064	16194	12678	14370	20520	8416	9062	9318	9190	11768	11015	10586	13703	3769	4096	3397	3814	17404	11662	15933	14356	22556	22424	26307	23762	10066	7732	13355	9111	7215	5810	4598	4571	4031	5497	4145	5741	6580	5901	5607	6031	9193	11331	8410	7831
proline	2527	2451	2441	2690	556575	625282	514804	529640	619749	708315	524325	414259	27553	37086	27001	13394	2144	3229	1603	1599	3609	3229	3552	3480	2188	2590	2249	3605	2508	3138	3943	2003	56	64	58	59	6275	3868	5644	9313	23569	20493	30712	19500	1272	1694	2018	1516	1391	608	799	1061	1097	2856	1760	1946	1689	1510	1471	2085	314	352	381	210
serine	165705	184706	181245	177219	381775	445770	397594	365956	420259	487842	409797	439299	401578	311015	423879	322267	282276	267777	275027	271402	152929	123050	179671	147316	234872	264467	233366	229147	283125	333552	288580	297607	47787	35462	49663	47136	125042	117065	136982	114011	181776	168207	212822	164282	106995	131120	132027	106075	104967	98973	116956	98963	34521	49127	37064	46417	68368	56328	63767	86405	105985	114275	103596	99985
threonine	66877	75652	78035	73521	131312	102405	81871	105196	122686	131747	120077	114434	139573	102668	131096	124446	70917	77649	62221	63685	51083	47172	49750	40947	60774	60038	61195	60353	69361	84614	69187	67674	16932	15313	16893	18587	40804	26749	37967	34532	52557	37468	42178	28519	24551	30928	31341	23571	30590	27108	21776	25874	11460	18696	11282	14415	29608	26357	25558	33882	29424	35577	28953	34466
leucine	11636	9271	10629	10512	45727	52815	54752	51098	29787	36294	36253	25517	16167	14412	16835	17255	7566	10248	6230	6220	8830	8365	9752	8369	3936	3940	3935	3930	3551	3235	4444	3743	3852	3572	3998	3985	11009	9143	10176	9976	24132	24131	22714	25549	12727	13847	13793	10539	9898	9838	10606	9250	6223	10554	6243	8350	10525	9807	8400	13366	9917	9539	11145	8681
asparagine	191959	183662	200256	186193	170676	197606	229249	199177	75858	89905	76051	80605	898302	998636	868068	828202	329072	431924	217818	226869	57111	39645	59862	52206	101902	120584	107464	122462	211207	233798	177312	175441	27416	39538	29075	32009	126831	143369	116328	120798	20560	20230	25292	16156	172266	239137	273654	153073	178427	101992	111521	130648	24114	40666	27387	35455	53611	45362	58591	56468	12873	24518	12382	17287
glutamine	10112	8537	12489	10379	55171	72141	41987	51385	27069	32111	38025	26918	171408	132090	161921	117922	14871	13991	12184	12500	3336	2487	3534	3844	7368	8564	5853	7209	22892	26041	26947	24467	1670	1576	1287	1511	6250	5430	7826	5495	2082	2367	1838	2042	19805	16529	24208	18677	4612	3200	5867	4768	589	719	508	540	7720	8124	9063	9595	5287	4839	7184	5764
GABA	82283	98454	95558	92098	107691	124720	113871	116205	177609	176461	184173	175835	132300	151599	163455	132670	104053	105173	95423	100298	76020	72042	65808	66703	84618	84222	85501	84780	72517	89676	73831	67661	11478	11503	11862	11068	11775	9010	9725	13511	321818	313654	373517	278255	38641	40147	47719	62891	28007	19299	20697	18489	15560	24129	15385	31083	12209	10439	13496	13976	10774	13135	11850	12587
aconitic acid	783	660	869	773	9678	12822	12253	10247	2181	2193	2486	1888	980	1082	1175	1087	1273	1515	1230	945	874	1061	796	764	2188	2717	1999	2358	1216	2040	1628	1814	203	161	464	276	391	648	241	285	755	528	413	415	541	673	768	291	294	264	249	235	1951	2114	1715	2021	1296	1053	929	931	543	537	523	135
citric acid	392921	427477	410190	410208	300368	267183	333552	269782	950800	925443	1043817	883141	624191	336402	485091	481895	555514	716853	482530	575100	732409	579697	576158	641374	676269	653058	814720	714682	537985	583658	503923	526375	33694	23899	33599	36788	97877	103337	92721	97575	330978	326836	342796	323275	44340	44412	45992	42618	100386	81786	84158	84261	604027	700191	677519	608487	298933	170901	201254	250032	46785	58823	51678	48551
quinic acid	8400	9630	8157	8729	14023	18687	16637	24499	23270	26156	30341	29458	32646	34806	37631	25501	25843	47629	32331	32420	46446	47357	46200	46668	23785	21389	23970	21877	31187	35617	33402	34026	281	311	395	329	1422	1333	2266	1674	1293	930	1007	1077	3388	3452	3983	3607	5748	5609	4488	5596	1599	1317	1373	1430	1430	1422	1837	1563	816	859	817	771
fumaric acid	769	724	932	652	1324	1321	1529	1426	3109	2858	3163	3383	5002	3705	4353	4353	1325	1184	1261	1530	2293	2057	2588	2233	2509	2612	2646	2578	4350	6790	4284	4083	447	603	447	603	1162	1399	1474	1345	1362	1496	2315	1541	1024	779	932	1134	951	960	796	1097	1897	2125	1995	3028	4472	2642	3865	2897	1192	1295	1192	1294
ascorbic acid	41049	43066	38287	41793	29758	32197	25822	31253	60872	77228	50585	67949	51129	45971	52057	55357	89070	87956	90784	93623	87557	82582	94502	88214	45123	52504	49858	49162	83705	93888	85352	95819	1326	1342	1115	1521	1432	1550	2036	1857	2051	2677	2829	2857	5903	4981	6874	5854	2287	3054	2791	2785	2187	1997	2447	2116	1457	1795	1626	1297	2066	2834	2288	2467
glycerol-3-p	11677	14946	13095	13239	110180	115188	120173	115195	53715	45894	60150	55101	45538	37984	60645	48056	20436	29496	38425	29457	51675	40640	46657	42640	4951	2031	3491	2963	9684	9813	9049	10481	2016	2180	1636	2233	6326	9274	8609	8325	9383	11800	9488	10224	3610	6927	5268	5268	9006	10343	8338	8338	1071	1287	919	1008	2704	2589	2267	3256	1896	4321	1958	2218
malic acid	359766	315817	227919	301167	63005	65908	79501	69471	624827	690330	655521	605033	298272	279574	372791	223753	364405	450587	325980	350365	408967	307041	313221	319351	400356	365190	463862	332744	644120	814957	706862	634864	30243	29002	34784	26936	33162	18976	32511	25129	207312	215099	203886	202934	91089	114247	93064	65961	85234	62624	106484	61794	633363	807385	764518	505658	144462	110400	76193	137876	34418	31808	36412	42034
pentonic acid	10717	12893	16527	10057	11502	12084	10045	12376	29100	25077	28002	27741	24779	16219	22187	21062	20900	24326	20819	19227	26430	23967	28076	30888	20299	17481	18885	14365	18604	27572	19699	22496	16134	12125	12593	15507	23178	21136	26196	21413	18726	21211	20275	18986	16241	16657	18387	18771	31689	28028	27914	29210	31756	28427	29842	12805	28771	28001	27831	33387	21759	27646	26131	27841
pipecolic acid	1798	1335	1139	1067	18417	14449	10615	14187	21748	21667	26582	27351	5684	4448	7633	5922	3014	3748	1720	2366	8687	8421	9966	7673	1850	3512	4040	5749	4421	4657	2805	4639	273	253	226	251	1786	2022	1789	1866	2044	2444	2987	2017	1346	1214	1525	1300	2522	1968	2149	2213	1908	2181	2452	1908	1603	1386	1383	1458	1081	1261	996	984
succinic acid	21250	24222	21386	18143	20582	24698	19897	17149	43579	44965	53635	47037	19692	15709	19150	14823	35841	44639	27042	35841	26876	24322	23206	24801	33185	33590	32934	33030	35947	44304	35180	37396	11583	10408	12382	11957	2439	2072	3319	1927	39863	23322	68469	27792	4420	8960	7946	3354	15419	17049	12963	15596	15883	13261	15119	19254	14995	14552	18595	16050	11371	10099	12141	11860
glycerol	67416	72318	80175	73303	50184	55183	60167	55170	68070	86875	64849	63889	65640	52058	64996	25726	41082	40006	41995	41245	78446	71447	72759	91131	67883	72440	57401	73808	38016	47109	42563	39837	19271	18638	21482	17688	32701	44052	72575	49778	13481	19480	16480	16481	20913	15674	9895	11071	39365	32143	31811	54138	47918	35073	46342	43123	17759	12804	16343	24126	29760	20395	17818	33991
putrescine	1781	1760	1804	1793	5364	14926	12982	7958	3997	3880	3920	3894	17139	14028	16292	12292	10947	10948	10956	10940	17338	12310	22300	17328	8840	8900	8780	8820	24486	30754	27620	28430	1792	1279	1686	1676	922	807	878	711	1580	2879	3679	3034	7915	8560	8539	6647	22399	17077	20699	17131	2056	2375	1976	3174	5025	3021	3518	5760	7103	8308	10540	8954
octadecanoic acid	27039	39321	34472	28839	58649	77508	56679	51615	46286	44075	51376	43406	53109	47570	51211	47548	39935	44511	39643	35651	54957	46565	54078	64226	55481	37689	49275	47482	61744	49793	70769	67236	32394	20580	26484	23532	48081	51908	44915	47420	64323	32440	42265	44581	62838	44433	36318	47864	30006	29106	33495	42680	33135	33718	38478	35120	39917	33967	35529	36476	59146	55976	48700	69521
tyrosine	2488	2460	2678	2270	7710	11581	9645	9646	7216	7401	9942	6748	3279	2286	2307	1685	1446	1498	1115	1286	2549	2951	2454	2443	1615	1673	1512	1867	1613	1808	1404	1355	3209	3719	2946	2961	11155	6050	7039	10016	18280	20182	19935	14721	7458	7632	7848	6893	6885	5937	4600	5171	2300	1993	1366	2110	7179	5993	6839	8704	8230	12506	8507	8863
gluconic acid	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	14036	12129	12592	15477	23191	20285	21517	21665	18780	21233	20282	19022	16498	16678	17903	17026	30837	26454	27977	28423	30871	25628	33775	30099	30887	28045	25996	33574	22046	27673	26189	27878
ornithine	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1998	2149	1964	1881	5152	6066	4896	4494	5307	5793	6305	5802	12199	10423	14987	11186	8452	7270	7780	10307	625	974	915	899	2444	2583	2522	2227	3377	3829	2859	3440
myo-inositol-1-p	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1438	1737	1204	1372	3420	3050	3699	3511	2952	3862	3028	3450	1034	1225	2593	2156	2351	2422	2136	2494	1673	1484	1550	1985	657	546	879	544	551	671	590	603
fructose-6-p	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1964	1890	1784	1879	5575	5283	6313	7176	15969	14078	15359	10906	5279	8856	5503	5075	9088	7107	6584	7226	10036	8481	9251	9259	3594	2855	4397	3528	1077	707	892	891
trehalose	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	1516	1457	1677	1415	1430	2070	1095	1764	3072	3920	2958	3317	1505	2324	1115	1076	1513	1608	3506	1205	2643	2118	2073	2278	4871	5090	5393	4128	2574	2146	1912	3660
nonanoic acid	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	809	986	455	986	717	831	733	760	592	526	562	622	584	565	452	736	695	887	789	655	937	831	1042	1482	510	401	611	516	938	816	1060	1487
tyramine	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	8310	5010	6808	6709	3402	1306	1730	1549	1376	1792	1792	1653	6967	7814	6162	6926	35788	34307	28171	33595	3986	7496	5085	5837	5659	5929	6505	6032	4457	4094	5190	3719
4-hydroxybenzoic acid	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	162	112	391	251	623	782	682	722	334	346	208	152	520	382	253	280	461	514	488	488	532	576	415	605	1872	1374	1623	1623	1278	1238	1802	1519
galactosylglycerol	66875	46201	65822	31171	26094	26278	42775	29045	88983	89241	81507	76329	84292	55585	51422	52103	83177	83640	72097	45431	120182	67712	82906	71281	54904	60112	49322	55279	24626	27746	33963	26304	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
glucopyranose	1032	933	1131	983	1857	2351	2062	2090	2275	2413	2361	2049	2028	1869	2293	1923	2304	2669	2660	2544	3977	3111	3782	3038	2288	2669	2227	2395	2497	1005	1751	1967	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
cysteine	1771	2010	1708	1830	5771	5620	6262	5429	4316	5085	4014	4618	8590	5210	6351	6717	3480	4060	3137	3242	4612	5134	4975	3728	2408	2849	2090	2284	3034	3699	2573	2829	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
homoserine	290	349	298	245	264	209	246	338	263	226	180	221	4215	3719	4789	4137	608	504	584	536	1459	1675	1689	1931	581	552	508	547	1750	1748	1271	2230	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
tryptophan	1187	1025	1182	1355	16909	19074	17992	20805	25365	23931	24327	27837	5361	6375	6791	6176	1644	1784	1089	1506	2163	2646	2164	2324	1490	1745	1363	1363	1057	981	996	1011	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
2-oxoglutarate	3573	4874	2778	3067	3073	6687	4427	6787	5648	4626	7393	4925	7160	7174	7162	7172	5016	4730	4690	5627	7973	8540	6847	8530	8720	7976	8634	7318	6344	9007	5928	7093	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
glyceric acid	3325	3643	3557	4047	7484	12083	6206	9145	12929	12220	13938	10578	7068	6312	6812	6730	9266	12382	9048	9485	6959	5953	7380	6681	11826	14938	11868	12878	9273	8707	10625	8990	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
shikimic acid	1478	2084	2534	1016	1796	3096	2272	3855	4786	5236	4531	4621	5086	3011	3940	2253	4230	6800	6798	5679	13659	10070	9516	9793	7112	8231	6689	6418	7464	7788	5759	6943	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
glucuronic acid	7620	8386	7339	7135	7868	7210	7033	7761	11516	11701	9791	11826	9163	7393	8191	6421	6994	6810	7168	7112	16703	6661	13920	12428	6507	6955	4504	6593	3464	3435	4004	3634	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
5-hydroxytryptamine	525	526	567	482	16635	14900	18171	16834	5557	6619	3821	5332	2471	2078	2400	2934	1513	1416	1014	2012	946	1009	915	962	3946	4944	3255	4048	4776	5227	4346	4756	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem CID	KEGG ID
fructose	2723872	C10906
galactinol	11727586  	C01235
galactose	 6036 	C00124
glucose	5793	C00031
glucose-6-p	 5958	C00092
maltose	6255 	C00208
mannose-6-p	65127 	C00275
raffinose	439242	C00492
sucrose	5988 	C00089
xylose	135191 	C01394
psicose	441036	C06468
mannitol	 6251 	C00392
myo-inositol	892	C00137
beta-alanine	 239  	C00099
glycine	 750	C00037
aspartic acid	5960  	C00049
glutamic acid	 33032 	C00025
isoleucine	6306 	C16434
lysine	5962  	C00047
phenylalanine	6140	C00079
proline	145742	C00148
serine	 5951	C00065
threonine	6288  	C00188
leucine	6106 	C00123
asparagine	6267 	C00152
glutamine	5961 	C00064
GABA	119  	C00334
aconitic acid	643757  	C00417
citric acid	311 	C00158
quinic acid	6508  	C00296
fumaric acid	444972  	C00122
ascorbic acid	54670067  	C00072
glycerol-3-p	754  	C03189
malic acid	525	C00149
pentonic acid	10264  
pipecolic acid	849 	C00408
succinic acid	 1110 	C00042
glycerol	753 	glycerol
putrescine	1045  	C00134
octadecanoic acid	5281  	C01530
tyrosine	6057 	C00082
gluconic acid	10690 	C00257
ornithine	6262	C00077
myo-inositol-1-p	107737 	C01177
fructose-6-p	69507 	C00085
trehalose	7427  	C01083
nonanoic acid	8158	C01601
tyramine	5610	C00483
4-hydroxybenzoic acid	135 	C00156
galactosylglycerol	16048618 	C05401
glucopyranose	5793 	C00031
cysteine	5862  	C00097
homoserine	 779	C00263
tryptophan	6305 	C00078
2-oxoglutarate	51	C00026
glyceric acid	752 	C00258
shikimic acid	8742	C00493
glucuronic acid	94715  	C16245
5-hydroxytryptamine	5202  	C00780
METABOLITES_END
#END