#METABOLOMICS WORKBENCH roganco_20230828_142505 DATATRACK_ID:4264 STUDY_ID:ST002917 ANALYSIS_ID:AN004787 PROJECT_ID:PR001813
VERSION             	1
CREATED_ON             	October 4, 2023, 12:04 pm
#PROJECT
PR:PROJECT_TITLE                 	Transporter-mediated depletion of apoplastic proline directly contributes to
PR:PROJECT_TITLE                 	plant pattern-triggered immunity against a bacterial pathogen
PR:PROJECT_TYPE                  	Untargeted GC-MS analysis
PR:PROJECT_SUMMARY               	In plants and animals, detection of pathogen-associated molecular patterns
PR:PROJECT_SUMMARY               	(PAMPs) by membrane-localized receptors initiates pattern-triggered (PTI)
PR:PROJECT_SUMMARY               	immunity against pathogens. In plants, many PAMP-induced signaling pathways and
PR:PROJECT_SUMMARY               	cellular responses are known, yet how PTI limits pathogen growth is poorly
PR:PROJECT_SUMMARY               	understood. Through a combined metabolomics and genetics approach, we discovered
PR:PROJECT_SUMMARY               	that plant-exuded proline is a virulence-inducing signal and nutrient for the
PR:PROJECT_SUMMARY               	bacterial pathogen Pseudomonas syringae, and that PAMP-induced depletion of
PR:PROJECT_SUMMARY               	proline from the extracellular spaces of Arabidopsis leaves directly contributes
PR:PROJECT_SUMMARY               	to PTI against P. syringae. We further show that PAMP-induced depletion of
PR:PROJECT_SUMMARY               	extracellular proline requires the amino acid transporter Lysine Histidine
PR:PROJECT_SUMMARY               	Transporter 1 (LHT1). This study demonstrates that depletion of a single
PR:PROJECT_SUMMARY               	extracellular metabolite is an effective component of plant immunity. Given the
PR:PROJECT_SUMMARY               	important role for amino acids as N and C sources for microbial growth, their
PR:PROJECT_SUMMARY               	depletion at sites of infection may be a broadly effective defense against many
PR:PROJECT_SUMMARY               	pathogens.
PR:INSTITUTE                     	Oregon State University
PR:DEPARTMENT                    	Botany and Plant Pathology
PR:LABORATORY                    	Jeff C Anderson
PR:LAST_NAME                     	Rogan
PR:FIRST_NAME                    	Conner
PR:ADDRESS                       	2701 SW Campus Way, Corvallis, OR, 97330, USA
PR:EMAIL                         	roganco@oregonstate.edu
PR:PHONE                         	3146004945
#STUDY
ST:STUDY_TITLE                   	Transporter-mediated depletion of apoplastic proline directly contributes to
ST:STUDY_TITLE                   	plant pattern-triggered immunity against a bacterial pathogen
ST:STUDY_SUMMARY                 	GC-MS analysis of apoplastic fluid extracted from arabidopsis plants treated
ST:STUDY_SUMMARY                 	with 100 nM flg22 or a mock treatment for 8 hours. Col-0 is wild type
ST:STUDY_SUMMARY                 	arabidopsis plants, QKO is a quadruple knockout mutant in the Col-0 background
ST:STUDY_SUMMARY                 	with knockouts in dde2-2, ein2-1, pad4-1, and sid2-2.
ST:INSTITUTE                     	Oregon State University
ST:DEPARTMENT                    	Botany and Plant Pathology
ST:LABORATORY                    	Jeff C Anderson
ST:LAST_NAME                     	Rogan
ST:FIRST_NAME                    	Conner
ST:ADDRESS                       	Cordley Hall, 2701 SW Campus Way, Corvallis, OR 97331
ST:EMAIL                         	roganco@oregonstate.edu
ST:PHONE                         	3146004945
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Arabidopsis thaliana
SU:TAXONOMY_ID                   	3702
SU:AGE_OR_AGE_RANGE              	4-5 weeks
#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           	-	flg22(1-1)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(1-1).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(2-1)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(2-1).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(3-1)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(3-1).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(4-1)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(4-1).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(1-1)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(1-1).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(2-1)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(2-1).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(3-1)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(3-1).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(4-1)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(4-1).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(1-2)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(1-2).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(2-2)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(2-2).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(3-2)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(3-2).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(4-2)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(4-2).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(1-2)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(1-2).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(2-2)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(2-2).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(3-2)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(3-2).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(4-2)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(4-2).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(1-3)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(1-3).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(2-3)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(2-3).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(3-3)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(3-3).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(4-3)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(4-3).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(1-3)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(1-3).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(2-3)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(2-3).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(3-3)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(3-3).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(4-3)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(4-3).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(1-4)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(1-4).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(2-4)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(2-4).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(3-4)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(3-4).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(1-4)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(1-4).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(2-4)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(2-4).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(3-4)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(3-4).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(1-5)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(1-5).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(2-5)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(2-5).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(1-5)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(1-5).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(2-5)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(2-5).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(1-6)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(1-6).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(2-6)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(2-6).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(3-6)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(3-6).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(1-6)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(1-6).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(2-6)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(2-6).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(3-6)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(3-6).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(1-7)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(1-7).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(2-7)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(2-7).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(3-7)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(3-7).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(1-7)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(1-7).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(2-7)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(2-7).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(3-7)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(3-7).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(1-8)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(1-8).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(2-8)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(2-8).D
SUBJECT_SAMPLE_FACTORS           	-	flg22(3-8)	Genotype:Col-0 | Treatment:flg22	RAW_FILE_NAME=flg22(3-8).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(1-8)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(1-8).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(2-8)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(2-8).D
SUBJECT_SAMPLE_FACTORS           	-	Mock(3-8)	Genotype:Col-0 | Treatment:mock	RAW_FILE_NAME=Mock(3-8).D
SUBJECT_SAMPLE_FACTORS           	-	Mock QKO-1	Genotype:QKO | Treatment:mock	RAW_FILE_NAME=Mock QKO-1.D
SUBJECT_SAMPLE_FACTORS           	-	Mock QKO-2	Genotype:QKO | Treatment:mock	RAW_FILE_NAME=Mock QKO-2.D
SUBJECT_SAMPLE_FACTORS           	-	Mock QKO-3	Genotype:QKO | Treatment:mock	RAW_FILE_NAME=Mock QKO-3.D
SUBJECT_SAMPLE_FACTORS           	-	Mock QKO-4	Genotype:QKO | Treatment:mock	RAW_FILE_NAME=Mock QKO-4.D
SUBJECT_SAMPLE_FACTORS           	-	flg22 QKO-1	Genotype:QKO | Treatment:flg22	RAW_FILE_NAME=flg22 QKO-1.D
SUBJECT_SAMPLE_FACTORS           	-	flg22 QKO-2	Genotype:QKO | Treatment:flg22	RAW_FILE_NAME=flg22 QKO-2.D
SUBJECT_SAMPLE_FACTORS           	-	flg22 QKO-3	Genotype:QKO | Treatment:flg22	RAW_FILE_NAME=flg22 QKO-3.D
SUBJECT_SAMPLE_FACTORS           	-	flg22 QKO-4	Genotype:QKO | Treatment:flg22	RAW_FILE_NAME=flg22 QKO-4.D
#COLLECTION
CO:COLLECTION_SUMMARY            	Apoplastic wash fluid (AWF) was isolated from the leaves of 5- to 6-week-old
CO:COLLECTION_SUMMARY            	Arabidopsis plants treated with flg22 or a mock control. To initiate PAMP
CO:COLLECTION_SUMMARY            	responses, a needle-less syringe was used to infiltrate the leaves with a
CO:COLLECTION_SUMMARY            	solution of 100 nM flg22 in water, or with DMSO in water as a negative control.
CO:COLLECTION_SUMMARY            	Six to eight leaves were infiltrated on each plant, and a total of six plants
CO:COLLECTION_SUMMARY            	were infiltrated for each treatment condition. Individual plants were
CO:COLLECTION_SUMMARY            	infiltrated with flg22 or the DMSO only control, never both. After eight hours,
CO:COLLECTION_SUMMARY            	AWF was isolated by syringe-infiltrating the mock- and flg22-treated leaves with
CO:COLLECTION_SUMMARY            	sterile H2O containing 164 µM ribitol as an internal standard. Immediately
CO:COLLECTION_SUMMARY            	after infiltration, the aerial portion of the plant was removed by cutting the
CO:COLLECTION_SUMMARY            	primary stem and briefly washed with H2O to remove surface contaminants. The
CO:COLLECTION_SUMMARY            	infiltrated leaves were detached from the rosette and stacked between layers of
CO:COLLECTION_SUMMARY            	parafilm, with 2 to 4 leaves in each layer. The parafilm booklet of leaves was
CO:COLLECTION_SUMMARY            	wrapped with tape and suspended inside a 15 mL conical centrifuge tube. The tube
CO:COLLECTION_SUMMARY            	was centrifuged at 750 x g for seven minutes. The AWF that collected at the
CO:COLLECTION_SUMMARY            	bottom of the conical tube was transferred to a clean 1.7 mL microcentrifuge
CO:COLLECTION_SUMMARY            	tube, then centrifuged at 21,000 x g for 10 minutes at 4°C. The resulting
CO:COLLECTION_SUMMARY            	supernatant was transferred to a clean 1.7 mL microcentrifuge tube. After
CO:COLLECTION_SUMMARY            	addition of 50 µL of chloroform, the samples were vortexed for 10 seconds and
CO:COLLECTION_SUMMARY            	centrifuged at 21,000 x g for 10 minutes at 4°C. The upper aqueous phase was
CO:COLLECTION_SUMMARY            	transferred to a clean 1.7 mL microcentrifuge tube, and the volume recovered was
CO:COLLECTION_SUMMARY            	measured with a pipette. The AWF samples were then lyophilized to dryness and
CO:COLLECTION_SUMMARY            	stored at -80°C until further use.
CO:SAMPLE_TYPE                   	Apoplastic washing fluid
#TREATMENT
TR:TREATMENT_SUMMARY             	Plants were treated with 100 nM flg22 dissolved in H2O or a mock treatment for
TR:TREATMENT_SUMMARY             	eight hours.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were derivatized with 10 μL of 20 mg/mL methoxyamine hcl in pyridine
SP:SAMPLEPREP_SUMMARY            	for 90 minutes at 37 °C. Then 20 μL of MSTFA + 1% TMCS was added and the
SP:SAMPLEPREP_SUMMARY            	samples were incubated for 30 minutes at 37 °C. The samples were then randomly
SP:SAMPLEPREP_SUMMARY            	injected into the GC-MS.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	For each sample, a 20 µL aliquot of AWF was lyophilized to dryness and
CH:CHROMATOGRAPHY_SUMMARY        	resuspended in 10 µL of 30 mg/mL methoxyamine hydrochloride (Sigma-Aldrich) in
CH:CHROMATOGRAPHY_SUMMARY        	pyridine (Sigma-Aldrich). The resuspended sample was incubated at 37°C and
CH:CHROMATOGRAPHY_SUMMARY        	shaken at 1800 rpm for 90 minutes. After adding 20 µL of
CH:CHROMATOGRAPHY_SUMMARY        	N-methyl-N-(trimethylsilyl)trifluoroacetamide (MSTFA) with 1%
CH:CHROMATOGRAPHY_SUMMARY        	trimethylchlorosilane (CovaChem), the sample was incubated at 37°C and shaken
CH:CHROMATOGRAPHY_SUMMARY        	at 1800 rpm for 30 minutes. Each derivatized sample was injected with a 10:1
CH:CHROMATOGRAPHY_SUMMARY        	split into an Agilent 7890B GC system with a 30 m +10 m Duraguard x 0.25 mm x
CH:CHROMATOGRAPHY_SUMMARY        	0.25 μm DB-5MS+DG Agilent column. The oven temperature was kept at 60°C for 1
CH:CHROMATOGRAPHY_SUMMARY        	minute, then ramped to 300°C at a rate of 10°C/min and held at 300°C for 10
CH:CHROMATOGRAPHY_SUMMARY        	minutes. Analytes were detected with an Agilent 5977B MSD in EI mode scanning
CH:CHROMATOGRAPHY_SUMMARY        	from 50 m/z to 600 m/z. Mass spectrum analysis, component identification and
CH:CHROMATOGRAPHY_SUMMARY        	peak area quantification were performed with AMDIS (http://www.amdis.net/). To
CH:CHROMATOGRAPHY_SUMMARY        	reduce erroneous identifications during automated feature identification, the
CH:CHROMATOGRAPHY_SUMMARY        	FiehnLib library was used to create a custom library that included both
CH:CHROMATOGRAPHY_SUMMARY        	identified compounds along with unidentified prominent peaks that were recorded
CH:CHROMATOGRAPHY_SUMMARY        	as unknowns and designated by their respective retention times72. Statistics
CH:CHROMATOGRAPHY_SUMMARY        	were performed with MetaboAnalyst73 and MetaboAnalystR74. An in house perl
CH:CHROMATOGRAPHY_SUMMARY        	script was used to collate AMDIS-generated peak areas into an Excel spreadsheet.
CH:CHROMATOGRAPHY_SUMMARY        	Peaks that were present in blank samples containing derivatization chemicals
CH:CHROMATOGRAPHY_SUMMARY        	only were removed from the data set. Two to three technical replicates were
CH:CHROMATOGRAPHY_SUMMARY        	analyzed for each sample and averaged to produce a single sample value.
CH:CHROMATOGRAPHY_SUMMARY        	MetaboAnalyst settings were selected to replace missing values by 1/5 of the
CH:CHROMATOGRAPHY_SUMMARY        	minimum positive value for each feature and normalize the peak areas of the
CH:CHROMATOGRAPHY_SUMMARY        	features by the peak area of the internal ribitol standard in each respective
CH:CHROMATOGRAPHY_SUMMARY        	sample.
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890B
CH:COLUMN_NAME                   	Agilent DB5-MS (30m x 0.25mm, 0.25um)
CH:SOLVENT_A                     	NA
CH:SOLVENT_B                     	NA
CH:SOLVENT_C                     	NA
CH:FLOW_GRADIENT                 	NA
CH:FLOW_RATE                     	.52 mL/min helium gas
CH:COLUMN_TEMPERATURE            	60 ramped to 300
CH:INJECTION_TEMPERATURE         	250
CH:INTERNAL_STANDARD             	ribitol
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 5977B
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Data were collect with scans from 50 m/z to 600 m/z. Data files were processed
MS:MS_COMMENTS                   	with AMDIS using automated feature identification with a library adapted from
MS:MS_COMMENTS                   	FiehnLib mass spectral and retention index library.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak area
MS_METABOLITE_DATA_START
Samples	flg22(1-1)	flg22(2-1)	flg22(3-1)	flg22(4-1)	Mock(1-1)	Mock(2-1)	Mock(3-1)	Mock(4-1)	flg22(1-2)	flg22(2-2)	flg22(3-2)	flg22(4-2)	Mock(1-2)	Mock(2-2)	Mock(3-2)	Mock(4-2)	flg22(1-3)	flg22(2-3)	flg22(3-3)	flg22(4-3)	Mock(1-3)	Mock(2-3)	Mock(3-3)	Mock(4-3)	Mock(1-4)	Mock(2-4)	Mock(3-4)	flg22(1-4)	flg22(2-4)	flg22(3-4)	flg22(1-5)	flg22(2-5)	Mock(1-5)	Mock(2-5)	Mock(1-6)	Mock(2-6)	Mock(3-6)	flg22(1-6)	flg22(2-6)	flg22(3-6)	Mock(1-7)	Mock(2-7)	Mock(3-7)	flg22(1-7)	flg22(2-7)	flg22(3-7)	Mock(1-8)	Mock(2-8)	Mock(3-8)	flg22(1-8)	flg22(2-8)	flg22(3-8)	Mock QKO-1	Mock QKO-2	Mock QKO-3	Mock QKO-4	flg22 QKO-1	flg22 QKO-2	flg22 QKO-3	flg22 QKO-4
Factors	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:mock	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:Col-0 | Treatment:flg22	Genotype:QKO | Treatment:mock	Genotype:QKO | Treatment:mock	Genotype:QKO | Treatment:mock	Genotype:QKO | Treatment:mock	Genotype:QKO | Treatment:flg22	Genotype:QKO | Treatment:flg22	Genotype:QKO | Treatment:flg22	Genotype:QKO | Treatment:flg22
gentisic acid	0	62997	115404	192521	15000	59400	164674	294365	8460	13978	47248	136199	11081	32840	298148	573670	0	6244	33116	58749	0	28592	75282	136117	15086	117064	11030	33639	180918	12309	12488	58781	14077	71597	0	483773	20865	9871	1013435	15697	49765	92431	201502	41844	46255	101315	1226003	13536	448534	10101	415927	760063	15255	11790	23524	46940	15782	31587	39147	0
thioglycolic acid	71159	87414	6270	26183	50228	54120	60689	22476	17625	0	17741	10269	4644	0	0	18876	0	0	17698	11018	26576	63228	57113	60127	8497	50527	10203	0	108469	38027	22695	26107	0	16228	61646	95099	28869	56113	70685	17901	0	0	0	0	0	0	23719	76508	0	58259	57682	81652	0	0	0	2574	0	8311	0	0
4-hydroxypyridine	439951	520554	8208	498778	7144	450745	4221	452086	363029	371270	374748	458119	378049	370803	459573	5660	69353	95177	149969	161912	108676	161038	185970	253648	589394	559492	588276	568104	563586	515798	852843	882655	619262	16193	14495	1054110	19875	14537	1031599	32025	172058	7524	243777	89319	111810	114139	23252	949456	956356	1012660	1035266	25980	91474	818653	4930	6595	4853	157843	870049	899841
pyruvic acid	4697082	5071854	4923162	5184011	4745368	5045537	5106013	4944764	3905147	3879841	4073815	4256441	3952285	3696719	4199598	4348874	1680965	2068327	2389472	2686014	1086424	1306797	1319994	1664134	5177057	5078522	5099226	5265898	5188361	4846911	4571707	4721476	4378869	4867856	4778379	5276704	5133627	4911481	5230765	5294284	4533621	5029541	5056751	4295002	4776475	4576201	5346465	5182720	5418179	5446201	5495666	5461939	4125946	5462286	4584872	4667206	3850352	4812467	5615766	5497987
L-(+) lactic acid	41751256	41702032	42782832	42941232	43843985	44623129	44808829	45864009	15931539	15625483	16568907	17198898	17322616	16551586	18201882	18556878	8165306	12548959	14281205	15578889	47206584	50838272	54694960	64405729	30025997	28829106	29598804	23370381	22604060	21834922	14327028	14673139	25576052	27324633	17373124	19038051	13312097	6753873	7259584	23105010	59706260	62624717	62478118	11380577	12537857	12484704	21985649	36492916	38159460	48541455	48998937	13922524	18923894	14872580	21169040	20596523	16368915	19724011	16873390	9940516
4-isopropylbenzoic acid	550509	589671	610142	609856	668965	688528	704215	729243	493307	545307	592545	565277	508968	492512	542678	537485	247156	436663	387934	393670	571845	661857	706352	887265	494525	474412	485784	553899	543302	467013	622197	583567	589603	569388	668157	743360	742963	704616	676099	650410	434001	474023	489682	315644	369791	383468	747120	777185	817080	686692	680066	687163	332305	912885	403276	387467	307933	408721	770776	778836
hexanoic acid	25481	35125	22789	24515	37887	36506	56700	20015	30422	33569	36450	30368	36616	37857	34576	41453	4343	14142	9152	11284	12268	0	0	9200	47786	54646	47997	52729	34522	31658	25942	35865	16857	25867	56121	37194	63177	65882	69718	48679	27804	20316	23531	20305	27180	22665	26119	62073	65699	58456	27788	125522	24880	45192	17655	17628	0	28580	37240	71143
2-hydroxybutyric acid	18739	19843	16329	15847	0	12044	0	17213	0	0	27168	0	0	0	23725	23597	12354	33739	22759	0	71270	0	48648	165140	0	0	0	174294	0	15920	41132	35974	0	0	40646	71622	41409	0	42007	39958	151962	165250	160232	11747	12898	163983	50814	49554	48562	79030	75293	62417	0	0	11152	0	165382	0	0	0
2-ketobutyric acid	47247	61351	0	62663	0	56033	58164	69635	41953	39643	42565	46361	44300	41095	52092	0	0	24307	0	0	26989	0	0	69188	59386	68938	56113	63894	60522	55655	62319	66949	51058	0	51603	74912	55877	0	84749	63505	0	0	73917	65186	71894	74049	74313	70519	91353	84714	99447	97282	64244	80226	83397	81364	0	84760	75822	90717
L-alanine 1	1653316	1875315	1980077	2085210	1532314	1796919	1986676	1954494	1516210	1579927	1492775	1635151	1694570	1567240	1770222	1786072	166111	259192	507497	546344	585412	1097956	1332486	2000256	1744051	1531436	1661100	2221506	2305808	1719723	2612517	2806039	1719194	2077867	1393700	1707881	1066291	2696124	2988782	1631255	2336561	2413157	2814369	1150076	1094332	1031470	1362291	2168325	2184338	4559129	4492091	2580670	1402360	663754	1619649	1449111	2670283	3330186	2614253	2907463
acetohydroxamic acid	2709940	2796959	2837676	2876767	2761785	2809745	2781180	2392910	2295531	2198200	2335108	2312752	2304694	2241687	2374294	2190880	10704831	12126538	13914414	13234382	10909411	12738347	12294389	14423548	41434	38381	21990	47651	43772	37501	140247	154183	149346	137275	0	0	0	0	0	0	6275649	6672832	6754569	6600543	7104682	7014868	0	0	0	0	0	0	6217894	0	7438067	7049730	5780570	7057149	0	0
DL-3-aminoisobutyric acid 1	244337	268461	312150	396780	419496	545705	645274	663112	75168	75779	77502	84542	97966	99229	123740	148373	0	10225	35237	36100	77246	237732	259280	483397	247067	256527	245483	169696	174844	111531	115325	182153	312999	477467	49595	137700	137055	79247	116792	130495	661555	611909	891761	46356	53191	26283	168615	1443374	1579796	529030	609276	80127	114663	130520	149854	106097	113680	109827	563015	152019
oxalic acid	126669	89140	153313	106034	66679	84477	84864	92184	61994	51109	61131	58142	72074	56443	80446	69828	22736	34823	44871	51132	43405	49938	49237	58120	86302	86680	85451	91544	101786	76557	113025	136781	141595	206651	222293	238282	234323	184890	179012	178636	86534	94235	99611	61539	77570	64023	254638	294756	303580	257272	220058	249798	62876	97577	82972	77892	59995	85320	133494	227293
acetoacetate 2	15042434	16376408	16249094	16628386	15356836	16085760	16470167	16227990	13307069	12948869	14054219	14366386	13503655	12602369	13924188	14314325	5978067	7241467	9088703	8754254	6509894	8548325	8816510	10367768	17075167	16662405	17075123	17204124	17324099	16293640	15883250	16278350	15133768	15952633	15940883	17717796	17316066	16421699	17325772	17068666	14352837	15728305	15994892	14846877	15910113	15930878	17538966	16878283	17290589	17648561	18071857	18285340	13799473	18438326	15785150	15868614	12856103	16316992	19195357	18681392
lactamide 1	4479	21129	6810	30635	19407	26670	21115	8107	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3076	0	2294	0	2619	3977	0	0	0	0	0	0	0	55626	41032	61203	0	0	0	1629	7561	14115	10225	16371	0	3442	5570	3851	7214	4528	4572	6269	0
benzyl alcohol	309910	319921	308445	327665	324992	328271	339080	356482	223185	218911	239403	244572	215215	210106	210690	233819	12244	19161	24383	31441	27379	40460	37642	47561	122302	123739	123814	146165	146657	141773	230758	236554	147670	157698	211861	239392	206401	160523	171739	173904	98671	105009	103407	10462	14009	16678	198486	214657	217911	165683	189940	181979	13895	583972	16471	0	10711	19686	458611	469566
DL-isoleucine 1	21679	60320	35197	32010	70957	51038	41500	78236	0	31972	31789	34975	0	0	0	0	0	0	0	0	103382	66899	85183	122668	32701	35237	29469	39015	63032	18299	19737	39314	39486	39567	15559	20991	0	0	0	0	91471	187647	185159	9235	0	0	0	34877	86373	107022	0	20697	0	22789	29593	0	0	0	0	0
acetol 1	27165	32800	35536	36906	25331	33302	26902	36783	24609	22359	24045	21560	25183	20107	21789	23034	0	0	11989	9853	0	0	5729	11652	32689	33221	35308	25994	37042	31229	36934	29283	28604	29180	32218	37049	35395	34795	37718	40075	30718	32405	29445	33023	38528	41695	37287	32640	25707	34702	33258	38653	22774	39188	32025	46216	21989	37928	41718	39075
urea	22516377	24016755	24407046	25205212	22702275	22554079	23573403	23373973	4800826	4375291	4416462	4276000	3546776	3122340	3191093	3119338	886516	575482	1302381	1630353	5275504	14793043	15768521	19941487	13096394	12451114	12400949	9967356	9964652	9183183	4740374	4780698	11146382	11810711	6501144	6349109	4599195	2222375	2192784	13029440	50064784	52481727	53146565	5770095	5557783	5466902	8976467	15109818	15826476	32552637	32835659	5538489	8226364	6129112	8559720	8973124	8063192	9554502	8306087	2984071
hypotaurine	101693	89980	87176	93843	82107	101723	119719	106725	65773	68441	110634	102333	85491	94706	92619	94366	15515	17766	47289	54564	18995	31759	31647	35896	123510	127627	173710	0	147432	129844	98178	84597	73932	82049	102743	131814	124623	109007	123186	110663	65064	221407	107304	93061	107061	168315	124913	91705	112915	103336	133266	127205	106206	174952	90635	107557	81639	115153	128075	134848
L-serine 1	999041	1296244	1430954	1540043	2168859	2360679	2525388	2544425	478637	492585	518908	413811	1261171	1199358	1416661	1512173	35876	0	336693	481554	776182	1722157	2123104	3022276	2056633	2025976	1857625	866725	993202	603857	627622	734754	929182	1404838	448419	602764	539469	711472	1032306	514841	3505530	4055482	4227918	364801	402522	328434	691058	1977275	2113245	2050521	2137195	423305	874011	488779	1053250	1051672	793849	1167801	830187	1009185
phosphoric acid	7207524	8943414	9547418	10562950	6160461	7555381	8027221	8316927	4851615	5579607	6658023	7296725	5543711	6084972	7429925	8244710	2146482	4070223	7332999	8641314	9036082	14801485	16515617	21511292	14565301	14326112	13742367	15750867	16297608	12745719	11256758	12793396	6638539	9251102	7862876	13907484	12512915	10907108	13897655	10847788	6635293	7271955	7456582	13578724	15109539	14969431	12211574	11791713	13864973	19674761	22093261	12045936	6914121	3119914	8546171	8257282	12817745	17530273	6934405	7657160
glycerol	2399140	2577922	2608403	2709514	3517386	3693654	3790818	3708740	697374	751565	781135	804225	785215	748331	966672	943114	287372	528302	514296	356276	4053444	3727581	3084518	4833680	1782428	1448663	1626278	1534555	1259219	1129910	1093416	1113583	2949785	2789444	985005	700096	973196	814194	856647	1080294	4375031	9373262	7853082	699760	985285	1011949	1030920	2920719	4364311	1893935	1941415	1333608	1502091	1484440	1825360	1856651	1340080	2037686	1644576	1441545
L-threonine 1	482399	577218	630266	652702	797545	906576	934591	1016309	363405	416986	410360	443103	612002	607796	673599	702944	0	0	0	182809	282134	726454	856073	1273474	1226564	1227440	1130969	1028194	1122139	744437	1316777	1441850	911307	1245573	510245	768438	422346	629551	797743	341760	1211284	1375636	1509419	336810	381378	346995	557714	996552	1080448	1450450	1510017	850606	1243124	454246	1401242	1363332	1156266	1599057	1097254	1265112
glycine	1429121	1649040	1581652	1629060	2339359	2468422	2451799	2370924	464752	490456	491975	536274	592874	582379	584337	570249	295328	445460	603993	672353	1457014	2104629	2246935	2871856	1088487	1071020	1034400	795496	791827	757267	479416	498378	1387391	1531289	535712	502598	965154	545320	553980	1036625	2774376	2759000	2876758	317165	360670	328864	858057	6446375	6444719	2201616	2322330	399571	634852	857353	662594	688723	621198	779803	2380647	639438
succinic acid	814178	892662	857141	914495	575820	571664	562638	565326	726881	704536	746963	735908	515021	490840	546906	538505	142269	230381	376541	404522	416146	648966	725341	909034	838400	797276	813058	1221882	1245821	1188696	1004225	1038220	587832	677236	679116	766160	610537	1474246	1568788	1057021	752686	734021	725865	712054	734511	709440	682185	708854	708741	1445837	1458324	1309592	782093	334659	870878	839797	816475	1035935	812628	816334
glyceric acid	63927	85804	81542	93490	211178	233923	238932	241031	61693	63075	80905	75672	136650	123801	146737	161357	8005	7762	22317	23330	116205	169582	197710	267250	214087	219423	215498	132247	123648	112699	80448	99422	131556	169436	149030	201469	106240	121625	118229	92800	286017	293958	311578	94088	119032	112023	160478	281140	304941	129416	141796	123481	168407	172445	220708	213605	112293	135157	208895	122350
fumaric acid	10808121	11182399	11122433	11266271	12808186	13252581	13394013	13043279	9756983	9445872	9987797	10152732	8606043	8120311	8937238	9208317	1642896	2411845	3463932	3840743	5554227	8022904	8816337	11159004	9758528	9441694	9813747	10018523	9849179	9430861	7126384	7275175	7459968	8181955	7618444	8314458	14754030	13296334	13708757	9039117	10730660	11534454	11484424	7914843	8524484	8266762	10330872	7476459	7580680	10696117	10641130	12438136	7482102	3618029	8622592	8643298	7286774	9235814	6831011	6217864
pelargonic acid (nonanoic acid)	66028	117155	114201	120271	96343	129968	0	89684	95806	82123	112455	96067	116298	108614	95163	0	0	45766	0	0	0	111446	0	118921	415786	418432	402342	349645	341742	285325	180226	236500	176638	231709	334497	387014	392693	378819	422461	398067	0	0	0	0	0	0	476902	360760	495230	541065	492139	475141	0	152637	0	0	0	0	159261	243053
aspartic acid 1	459510	584066	633880	586762	468338	473251	468632	480246	507949	496604	457117	511414	466970	432082	498344	473108	25946	0	87701	122601	128448	518733	653303	913796	1616561	1587661	1464391	2124714	2134853	1568330	2982182	3468466	1224367	1732963	1036991	1222860	1019591	1905446	2127958	1026831	1111036	1011078	992258	477503	442212	432416	1024126	1304967	1112431	2668979	2799911	2102035	1036913	633355	1086596	957139	1572269	2095546	1487283	2202617
capric acid	13650	42497	43174	53952	26642	33451	29011	27385	10144	6129	6097	10022	30006	28907	32381	36574	0	11193	14084	8857	15654	24941	34870	39998	84822	77120	84463	60477	55270	43442	42176	57615	25737	48396	47232	65880	76672	68701	82758	85089	27377	23144	28685	31128	29860	29204	98128	99840	104073	84817	101034	83270	24046	57355	22814	18564	16241	23658	29096	81921
eicosane	466361	510963	505827	508575	523170	537831	536014	537129	297577	299947	319256	312511	248486	240899	254667	265473	297323	336758	410296	405229	447430	600424	608970	723541	318039	324620	320774	418972	422456	406277	537022	581239	379618	421825	346943	393226	510003	370108	409042	362051	304496	327152	331748	130003	130454	132711	447942	496142	512133	363491	393892	331757	168720	662006	193843	201370	177125	219903	490528	480911
D-malic acid	6882195	7476103	7331673	7352803	9452775	9797118	9849018	9525843	6383723	6062150	6357996	6456029	6427854	5993977	6491394	6762834	1286240	2164874	3309338	3771089	5336081	8068146	8794833	10924462	9578742	9320424	9606042	10210104	10104332	9743270	11046789	11394174	10550547	11297807	9742156	9212549	9410734	10096606	9572402	7587190	7969315	8128302	8026854	5316970	5718420	5569728	7247873	8699507	8465135	10579991	10177179	10733980	6910559	4369145	7758775	7716190	6512878	8350066	8071216	6693872
pipecolic acid 1	54124	57439	67249	99988	98444	114740	132987	126990	16726	27007	44962	41880	46272	43738	67040	64954	0	0	0	53867	71218	172782	152451	242119	29362	39713	29114	42889	45442	36415	124562	180188	56366	122177	22614	85763	38361	48777	100252	35014	100102	142243	198990	97221	99106	91575	71204	137142	218422	119397	212812	124978	203528	61735	274514	280924	125931	259033	148779	240144
D-threitol	20432	18969	17506	15103	35189	33489	30150	34459	14995	15720	13519	15079	39279	16106	19806	16978	0	0	0	0	44197	29384	32534	46021	25506	23326	32244	26994	16343	20284	27289	30235	22825	47548	19139	16984	16235	13684	20601	14136	84511	105864	91271	16342	19108	17569	15905	19772	24846	24498	49646	28990	14942	14449	28987	20457	17040	22277	19825	14570
salicylic acid	174978	183764	200389	192952	49230	15987	25969	20131	64448	53313	60298	61125	0	0	0	0	50519	25340	36071	46316	0	0	0	0	0	0	0	21290	29776	23655	14938	15081	0	0	0	0	0	305296	306426	100928	0	0	0	16740	14486	13585	0	28098	36431	171394	184288	71451	0	0	0	0	0	0	0	0
L-glutamic acid 3 (dehydrated)	1290997	1592779	1644120	1771850	1275279	1479785	1575503	1574926	723828	666363	729259	776404	687418	618197	749001	839834	62368	124044	243287	282474	363135	711182	1039124	1488161	1815796	1818815	1622801	2088836	2281652	1719968	2215078	2503605	1667191	2185300	1447660	2233644	1299133	2004743	2742224	1589945	4225170	4512893	4443747	1331845	1600472	1581498	2336646	3290033	3900083	3968463	4582297	3848946	4322706	3650357	5206541	5239906	4136475	5674125	4343083	5584312
acetylisatin 5	2401129	2603091	2686272	2793549	2639729	2785582	2876704	2902346	1394197	1338984	1437227	1476558	1097133	1035994	1185521	1221680	1021059	1154437	1482914	1489987	2109989	2789262	2844744	3397249	1394079	1389787	1404580	2018793	2053971	1914902	4571342	4620490	3309667	3639357	1726848	2026342	2530616	1619461	1835891	1823522	1869762	2205031	2258803	636647	754471	732071	2279812	2536213	2758726	1723334	1920053	1707923	1503019	4942033	1834523	1809191	1528551	2031985	3230427	2964020
threonic acid	13591	14274	5934	17850	0	0	0	6269	34921	24443	26642	26963	0	10210	2574	5313	0	0	0	0	0	0	0	5190	9518	4178	6156	22543	21860	17883	11982	13275	0	11629	4310	11596	2892	0	14713	6832	21047	27059	26881	22981	27751	24196	0	0	10410	82212	77498	43093	15962	10423	12364	17123	41574	57833	39664	39289
alpha ketoglutaric acid	26576	39116	40208	87870	0	52481	85987	0	59653	0	0	41263	48005	18829	0	0	0	0	0	0	0	0	0	0	54192	66483	69563	91509	85813	93431	107889	96784	37143	103368	61657	58922	76336	106609	90319	92414	0	0	0	36544	0	0	53295	138922	0	182536	157947	115637	0	25532	0	0	0	79895	55660	56083
tetracosane	15425	12951	16184	14188	13530	0	11106	15168	16444	9435	0	14990	3757	8020	6288	11048	145130	3955	8167	0	0	8897	30222	7060	0	0	0	7381	0	13909	0	0	0	0	11524	13440	0	7919	0	11669	34937	0	0	12954	22962	14562	0	0	0	0	9664	0	7715	0	14859	0	14347	9529	24882	25827
lauric acid	63837	94087	97511	99397	72649	85620	89988	93535	26085	20077	18219	27537	56374	53789	63051	66061	16109	35515	45103	50768	68214	93341	109983	157088	163842	145892	146382	103420	119031	81465	137159	163281	89507	147715	84663	116608	167837	118065	135621	146336	70817	89055	77525	60506	62116	59298	166851	194874	213585	163294	178860	124802	56320	174199	63611	62788	40383	51269	133158	186174
5-hydroxy-L-tryptophan 1	219063	294554	310322	327595	100885	115870	128857	134996	22012	22790	22888	24994	269584	248596	280295	298170	5149	11580	21263	25202	52452	13185	101361	137725	58808	57412	55309	86149	94677	67968	1401976	1498450	1209399	1542525	45077	66087	119950	64141	68212	82115	121589	134924	140152	30901	34828	36374	90511	133834	129965	74644	75899	57878	53196	193162	63100	55336	38834	47290	78209	72333
arabinose	17442	23292	15853	13911	30615	7313	33089	37403	16997	12411	8348	15178	9485	13554	23715	19868	0	0	0	0	0	0	0	0	15940	31952	28207	35233	45531	32198	23694	16143	31696	55946	27636	12899	10471	15607	21114	23511	11637	10191	0	9612	17097	10281	12019	37828	22759	50376	55245	22371	27630	7316	15824	7434	32281	19030	11940	21928
ribitol	12867991	13479170	13445193	13746289	13915867	14527332	14815331	14529632	10161727	10160943	10851551	11192824	9927365	9331854	10557755	10877416	2313859	3375685	4827503	5397226	11153955	14733242	16237027	20513463	18239042	17751905	18251394	17949823	17384847	16945863	20175985	20627094	18880143	19979699	14165564	16072587	13748401	12943800	13681176	12880777	17737432	19504504	19821721	10554295	11737644	11525732	16650331	17695744	18326910	17287421	17772745	16863092	17494450	16179396	20340317	20558690	15438842	19910770	15688423	16385736
heptacosane	476547	548477	543796	561709	598720	613973	642152	603736	243538	233650	268944	272626	213572	209040	223813	241958	329444	392517	498367	473706	601179	758409	759151	915742	367822	339787	342549	468217	451288	497145	635019	695182	521056	549954	400516	448531	592590	369129	385644	412668	314105	385897	379860	145258	146162	149946	407558	546854	569887	349744	353426	318566	331553	801819	396222	399743	264405	364661	619185	509820
DL-dihydrosphingosine 3	12579	0	6941	10735	4241	0	3109	0	13854	8594	3748	5605	7516	12429	7117	0	0	0	9722	0	0	5965	8692	6724	10485	0	14550	0	0	14406	10544	11963	0	2467	0	0	0	0	0	7425	0	0	0	0	0	11909	9082	0	0	0	0	13203	6049	11730	7126	8415	2697	8146	10986	13074
citric acid	6297931	7196884	7720319	7854595	8891137	9906599	10772130	10692697	5595542	5642026	6171430	6745209	8803683	8534718	9917218	10017752	2048130	1536097	5184716	6243014	7860217	16263253	18131191	22699643	13813367	13800033	13442814	16179310	16375082	14305726	18134143	19304745	16488411	19158881	14876169	19104946	6813527	11193307	12567765	8404686	12799274	13627873	13592098	6347580	7103257	6963577	9510314	14665539	15670424	14428254	14964697	12871102	9408585	4326396	10841390	10744350	7252074	9857755	8604339	6276517
dehydroascorbic acid  1	377709	444807	465623	475157	299104	333379	354350	351320	57795	30832	44488	63234	35594	27627	32764	61902	0	0	0	0	0	0	0	0	446303	437106	425108	607093	632583	529165	1086688	1233648	384689	514752	332457	415515	457013	1019013	1056566	529163	0	0	0	95727	57291	120733	306255	477236	521106	718080	701868	783984	43099	0	43237	42159	145747	204297	0	0
myristic acid	33341454	35946754	35710024	36573055	42083308	43806618	44636347	43679201	17014932	16894056	17978229	18459268	18035342	17211294	19208585	20023524	29242999	33692467	41592423	41667559	48348154	60240683	60625496	69908498	35469139	34680281	35652714	50785136	50203228	48627261	50332564	51216042	47451126	50130916	40646798	45547454	65020065	39173551	41099967	43990809	26452898	29564602	29990038	9033179	10210206	9936190	45613785	52789214	53959112	40221236	40929917	37267737	17002823	57656090	19947638	19988268	15445154	19951131	55142756	43385320
fructose 1	6649730	7567252	7403442	7693107	8672331	9110321	9339072	9153885	4755269	4802176	5117849	5295278	4980170	4680865	5238518	4911054	0	0	0	0	0	0	0	0	5417272	5750362	5390519	8409714	8355448	7761834	4425227	4543598	4447227	5108435	5821905	6796138	2933618	5342512	5734511	3990931	4526820	5178355	5340294	2568490	2927450	2802779	3663641	7250324	7472941	11850308	12200791	10640118	8144609	3048255	8968942	9685141	9194534	12013782	6224287	5693045
D-glucose 1	11231996	12382234	12380343	12824801	15646574	16523455	16458795	16523408	7433716	7425816	7941976	8175624	9359758	8900022	10025186	10390948	0	0	0	0	0	42639	61224	61582	11648394	11348721	11498314	11861902	11883403	11022290	9019239	9432790	9582006	10816805	9238150	10644352	6677151	7171094	7897266	7336962	10729988	11754273	11793078	5420374	6100892	5957127	7207207	14837815	15374306	14746075	15303453	11864293	9092003	4857822	10790540	10844519	7931896	10449535	8800741	5205125
threose 1	106040	169358	187474	214624	419477	397146	506348	521253	83155	119672	110519	101097	169064	175298	223692	0	0	0	0	0	0	0	0	0	966338	996635	870441	654190	667062	400187	292095	362876	473072	768542	669724	910278	503829	333505	360465	325328	250483	276360	0	78074	82457	89208	766116	1392868	1454423	898838	892112	631483	506077	229116	616515	628615	202138	274072	175380	101596
L-lysine 2	9559	0	11691	17581	13963	0	21389	19841	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29923	36674	30739	36522	44809	32416	0	0	0	0	0	0	0	0	0	0	98083	115161	98628	0	0	0	0	23777	0	101305	93005	0	0	0	0	0	13933	14939	15902	0
palmitic acid	11126925	12379901	12298564	12819241	12358629	13194630	13498096	13212361	5006702	5041247	5429476	5567986	3818489	3601815	4153949	4280861	6414890	7931235	11225456	11484583	13276795	18723496	19607026	23619944	13867929	13524439	13773148	15401423	15388202	14254632	19941264	20535599	14269103	16111618	11219390	13551687	20034591	12371769	13430390	13593942	6509825	7817931	8040584	2420858	2896399	2782865	14146970	18928591	19623432	12915724	13270153	11641842	5867935	21050101	7156209	7255686	5387318	7265570	16713441	14374548
myo-inositol	1837678	1994505	1980898	2033887	2703461	2834416	2890098	2848339	1733294	1693253	1806416	1874917	2125992	1998814	2249919	2335100	298527	430284	667961	778052	1095895	1691477	1890361	2416954	3113856	3023301	3110682	2508551	2468916	2321087	1733975	1813461	1702605	1866232	1718884	1934995	2119986	1733707	1881812	1272999	2154334	2413675	2460099	1231038	1381802	1352097	1842210	2008741	2131047	2135680	2257896	2048555	4203875	2390042	4950052	4993313	3463603	4511735	4368933	2894207
heptadecanoic acid	170534	239251	237771	285230	30675	246976	275268	248254	55505	57333	61709	66507	43089	37481	40275	41467	52463	72227	132860	150569	86967	311857	58995	47934	390646	379297	64581	490323	430995	327300	600447	686651	64018	463773	228606	329664	106611	46162	61434	348500	105124	124610	131575	23855	25653	27932	359501	576502	594958	336833	64025	300090	65298	575801	94136	81863	70870	96815	423359	323599
methyl-beta-D-galactopyranoside  	40125	52196	53099	59921	63415	66907	74369	71582	25814	22629	22591	23366	22831	15426	26902	29473	1488736	1951170	24266	18979	42579	52311	63451	112167	125330	109255	100666	140866	148416	118051	23241	161492	121415	168223	76658	96227	76292	69640	86552	69564	75462	95847	90446	32404	43552	27051	59980	104799	115114	89418	84252	79095	29990	18078	32984	32463	22978	37499	73935	39915
stearic acid	19227080	21807751	21925965	23234423	22368207	24553579	25297170	24682602	7768107	7964309	8452560	8885073	5563817	5466983	6319080	6505320	11241411	14020185	20047305	20474061	20758196	36340215	37318239	44739695	24459628	24045502	24323001	30223210	30221806	27538789	37785391	38829343	26379908	30020045	18687608	24484685	37755826	21903861	24301368	24891332	11091608	13973163	14130231	3014918	3856132	3741585	25912957	35864644	36904916	23887979	24285408	21139376	8938487	38551224	11367323	11502753	8366825	11686897	30256830	25595675
1-octadecene	51276	48029	550628	448710	72339	103084	31925	77218	200079	164113	175892	110994	137094	128828	191133	148032	207007	39266	429999	75206	177144	97530	133143	227432	80608	71677	80826	685506	439112	85708	104799	82638	544142	92279	204875	201730	625124	35322	83097	500006	268766	293783	65856	37786	85944	18816	26266	116142	144118	30537	280665	171161	156686	700255	220091	214138	153594	243367	489380	404759
hexadecene	160977	123891	134004	213141	98800	50589	116354	148595	57715	30063	44320	74967	46831	51366	61372	43272	46008	76784	116739	127071	128292	181117	23098	158646	100939	139732	102203	51575	164051	100723	107150	126074	263640	272873	59578	56399	203384	73827	285788	120372	70326	60251	138604	71169	46288	45370	91729	168482	158535	115521	30976	263158	66111	196396	71391	73082	53109	64596	162284	130083
D-sphingosine  3	8720	11722	17662	26472	14871	35478	43169	39389	12654	6480	13909	20160	29625	23652	30177	34308	0	0	0	11627	41721	7331	69225	8668	82909	79626	17563	35803	15275	28408	50296	56742	37085	30734	20406	29916	32066	12474	45991	19058	40946	15195	20394	9927	10439	12307	41350	74826	26846	35151	18931	43719	81186	56901	108297	95383	59821	80917	76723	69207
Sucrose	9667897	11390574	11867038	12363574	13147699	14599936	15138661	14922426	5942645	5825629	6311433	6524921	11934170	11027164	12946417	13160695	1630796	1490355	4886258	6035363	4002005	16326694	19077677	26384463	27676997	26739486	27181045	14828318	14913185	13409003	21233453	22752440	18595053	21588329	17131069	20753341	17475136	12305061	13667593	10686122	12433292	14128814	14511563	4202928	4740404	4527301	18339209	15728046	16453084	27518363	29113152	25815940	26921651	22256769	31760296	31897567	15696488	21939651	21679548	16210814
2,3-dihydroxypyridine	0	4955	5942	7226	3546	4489	5411	0	2028	1895	2241	2702	0	3060	2246	2977	0	0	1732	1701	0	0	0	2433	9857	0	10748	11498	9557	8295	9644	0	0	8933	0	0	12980	0	12650	12874	3331	2872	0	0	2766	0	0	15803	13573	0	13821	0	1439	11741	3128	0	0	3864	2697	12919
L-tyrosine 2	0	12665	0	17952	0	17476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25557	26306	29001	31822	30572	0	0	0	0	0	0	0	9797	0	16173	0	175842	135017	0	0	0	0	0	0	42559	38864	0	0	14544	0	0	10069	16680	32323	0
1-hexadecanol	0	189151	195867	218615	153097	0	0	0	140236	121672	146661	94760	115035	86475	0	109210	148699	164840	0	18299	319890	24635	0	254407	0	0	316662	210972	0	230705	334576	0	0	266073	0	0	0	186427	0	0	0	166173	265018	83285	68511	45986	267510	0	0	0	212245	0	190298	315550	196790	206564	151767	212856	322994	202610
gluconic acid 2	0	15603	9770	12828	0	31902	11031	0	7639	7514	27327	42808	21159	14179	13220	30042	0	0	0	6581	0	0	22127	0	0	27485	0	44568	26063	27483	34113	53309	26828	48265	17405	34997	12525	12750	19894	17557	0	29779	32911	10376	16287	13659	11561	0	0	52352	63073	0	16955	0	20554	45654	13312	50966	9645	0
galactosamine 2	0	6708	0	5980	13138	12834	12610	12067	0	0	0	7446	0	54371	0	7205	0	0	0	0	0	0	12895	0	8966	18207	6796	15305	4815	0	0	7488	0	14011	4226	16394	15439	12315	15025	11139	10490	17054	8324	0	0	0	6163	22779	23037	18465	21783	15258	11734	10590	13661	17931	8081	4263	14784	11950
L-valine 2	0	0	164161	177334	174675	197255	170254	208844	0	0	0	0	0	0	0	0	0	0	18957	0	52939	94913	118592	175549	0	0	0	0	0	0	142996	155407	156887	177422	0	0	0	0	0	0	353973	341553	378757	0	0	0	0	192419	188232	256709	261225	0	131165	0	151706	0	144925	199302	0	0
L-proline 2	0	0	5271	0	7057	9891	8959	8675	4466	0	3116	0	0	16024	16223	0	0	0	0	0	0	8068	0	11501	11555	11228	8745	6058	0	0	5715	7878	5972	9626	6625	7326	3355	2179	0	2109	12287	13307	0	0	0	0	3981	7624	6310	0	4307	3171	25028	6624	21465	15100	14085	18212	10218	15856
cellobiose 2	0	0	7431	0	0	0	0	0	0	0	0	0	0	0	0	9669	0	0	0	0	0	0	0	0	7059	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5289	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5,10,15,20-tetra(4-pyridyl)-21H,23H-porphine	0	0	0	5647	0	0	0	0	0	0	0	0	85087	147842	0	0	67315	0	0	131710	71289	125730	114183	0	0	0	0	0	0	223665	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	104335	128780	216034	0	0	238986	0	0	293578	0	0	0	0
galactinol 2	0	0	0	188543	0	0	0	0	43489	0	9401	0	0	0	59952	4403	9652	20126	27084	6683	7845	18421	18154	5483	0	103989	138103	160292	170783	159623	0	0	49038	0	0	74107	0	0	0	69353	0	0	22029	101753	0	61748	0	0	0	0	149492	62490	15964	7038	35040	12700	13255	83487	24683	0
xylitol	0	0	0	0	9795	0	0	0	0	0	4560	0	6306	35461	13378	23464	0	34813	0	0	0	0	5986	0	8463	4244	0	30393	0	0	27492	12703	16681	18696	24447	5660	9966	44252	9274	0	0	0	9910	2934	12058	6955	2434	0	0	0	30052	0	0	0	23977	8200	0	8499	0	0
ethanolamine	0	0	0	0	0	166139	0	0	87340	0	0	0	117730	0	0	0	0	0	0	0	0	0	0	0	122229	131970	136346	120929	148079	152151	109203	0	136443	121729	0	0	0	0	124718	0	235980	164774	185304	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
neohesperidin	0	0	0	0	0	0	12369	13342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12024	28187	32025	27665	23885	0	0	11618	20292	0	18040	36210	10824	0	16102	0	17365	0	19751	21617	0	3196	0	8101	0	13092	22257	0	0	0	0	0	0	4522	0	0	0	0
Beta- alanine 1	0	0	0	0	0	0	0	0	2324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34045	27764	28124	7142	0	9282	9451	9041	3950	0	4642	0	0	9998	9954	0	0	0	0	0	0	0	0	7857	5632	6827	14366	0	0	11508	0	2562	4456	5304	7448	8540
lactose 1	0	0	0	0	0	0	0	0	0	0	5982	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4459	0	0	0	0
maleic acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26234	30654	0	0	0	0	0	61317	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37323	0	0	0	0	0	0	0	0	0	436069	0	0	0	0	1006126	900607
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Retention index	Retention time	CAS	m/z
2-hydroxybutyric acid	1263.9	6.4427	565-70-8	131
4-hydroxypyridine	1272.8	6.5434	626-64-2	152
pyruvic acid	1300.4	6.8524	127-17-3	174
L-(+) lactic acid	1304.9	6.9031	79-33-4	147
4-isopropylbenzoic acid	1309.3	6.9525	536-66-3	221
hexanoic acid	1320.3	7.0763	142-62-1	173
2-ketobutyric acid	1357.3	7.4904	600-18-0	188
L-alanine 1	1358.3	7.5017	56-41-7	116
DL-3-aminoisobutyric acid 1	1382	7.7682	10569-71-9	102
oxalic acid	1392.9	7.8908	144-62-7	147
acetoacetate 2	1395.9	7.9239	141-97-9	73
gentisic acid	1398	7.9471	490-79-9	355
lactamide 1	1401.7	7.989	2043-43-8	232
benzyl alcohol	1425.4	8.2548	100-51-6	165
DL-isoleucine 1	1455.1	8.5882	443-79-8	86
tetracosane	1482.1	8.8916	646-31-1	69
L-valine 2	1501.2	9.1049	72-18-4	144
acetol 1	1508.2	9.1838	116-09-6	219
urea	1536.1	9.4971	57-13-6	147
L-serine 1	1553.1	9.6879	56-45-1	132
ethanolamine	1565	9.8218	141-43-5	174
glycerol	1572.7	9.9081	56-81-5	147
phosphoric acid	1573.4	9.915	7664-38-2	299
L-threonine 1	1598.6	10.1984	72-19-5	73
L-proline 2	1604.5	10.2647	147-85-3	142
maleic acid	1609.4	10.3197	110-16-7	147
glycine	1614.8	10.3804	56-40-6	174
succinic acid	1622.5	10.4661	29915-38-6	147
glyceric acid	1641.3	10.6775	473-81-4	73
5,10,15,20-tetra(4-pyridyl)-21H,23H-porphine	1645.9	10.7288	16834-13-2	184
fumaric acid	1665.7	10.9515	17013-01-3	245
pelargonic acid (nonanoic acid)	1680.2	11.1141	112-05-0	215
2,3-dihydroxypyridine	1706.1	11.4025	16867-04-2	240
aspartic acid 1	1754.9	11.9304	56-84-8	73
Beta- alanine 1	1761	11.9955	107-95-9	248
capric acid	1796.6	12.3808	334-48-5	229
eicosane	1799.6	12.4134	112-95-8	71
D-malic acid	1830.4	12.7305	617-48-1	73
pipecolic acid 1	1846.7	12.8981	535-75-1	84
D-threitol	1855.3	12.9863	6968-16-7	205
salicylic acid	1858.9	13.0232	69-72-7	267
L-glutamic acid 3 (dehydrated)	1872.1	13.1596	56-86-0	156
acetylisatin 5	1897	13.4148	574-17-4	263
threonic acid	1916.9	13.6125	7306-96-9	292
lauric acid	2034	14.7416	143-07-7	257
5-hydroxy-L-tryptophan 1	2053.2	14.918	0-00-0	290
arabinose	2060.8	14.9874	10323-20-3	73
xylitol	2088.1	15.2383	87-99-0	75
ribitol	2120.8	15.5385	488-81-3	73
heptacosane	2151.4	15.82	593-49-7	71
1-octadecene	2192.8	16.1997	112-88-9	69
D-sphingosine  3	2218.4	16.4218	123-78-4	204
hexadecene	2226.4	16.4893	629-73-2	71
citric acid	2232.1	16.5369	5949-29-1	73
myristic acid	2274.1	16.8922	544-63-8	285
fructose 1	2298.2	17.0954	57-48-7	73
D-glucose 1	2329.1	17.3563	59-23-4	73
L-lysine 2	2361.5	17.6303	56-87-1	174
L-tyrosine 2	2380.7	17.7923	60-18-4	218
1-hexadecanol	2392.7	17.893	36653-82-4	299
palmitic acid	2513.2	18.8538	64519-82-0	313
myo-inositol	2566.5	19.2767	87-89-8	73
galactosamine 2	2613.3	19.6489	1772-03-8	319
heptadecanoic acid	2629.2	19.7746	506-12-7	117
methyl-beta-D-galactopyranoside  	2663.5	20.0473	1824-94-8	204
stearic acid	2740.8	20.661	57-11-4	341
DL-dihydrosphingosine 3	2999.7	22.7165	13552-09-5	204
neohesperidin	3008.7	22.7884	13241-33-3	73
Sucrose	3140	23.8305	111-11-5	361
lactose 1	3189.8	24.2259	63-42-3	204
galactinol 2	3492.6	26.6304	3687-64-7	204
thioglycolic acid	2639.5	19.8565	68-11-1	221
acetohydroxamic acid	7.6699	1373.3	546-88-3	311
hypotaurine	9.6254	1547.5	300-84-5	188
alpha ketoglutaric acid	13.7814	1934.1	328-50-7	73
dehydroascorbic acid  1	16.842	2268.2	490-83-5	73
threose 1	17.5232	2348.9	95-43-2	205
cellobiose 2	24.5841	3234.9	528-50-7	205
gluconic acid 2	18.3621	2451.3	526-95-4	292
METABOLITES_END
#END