#METABOLOMICS WORKBENCH Andressa_Stuart_20210929_131232 DATATRACK_ID:2873 STUDY_ID:ST001927 ANALYSIS_ID:AN003133 PROJECT_ID:PR001217
VERSION             	1
CREATED_ON             	October 18, 2021, 10:26 am
#PROJECT
PR:PROJECT_TITLE                 	Fungal consortium of two Beauveria bassiana strains increases their virulence,
PR:PROJECT_TITLE                 	growth, and resistance to stress: a metabolomic approach.
PR:PROJECT_TYPE                  	Untargeted Metabolomics
PR:PROJECT_SUMMARY               	Entomopathogenic fungi have been successfully used to control agricultural
PR:PROJECT_SUMMARY               	pests. They infect insects by coming into direct contact with their cuticle or
PR:PROJECT_SUMMARY               	when feeding on contaminated leaves or fruits. After contact with the insect,
PR:PROJECT_SUMMARY               	the entomopathogenic fungus penetrates its body cavity, where it grows and
PR:PROJECT_SUMMARY               	colonizes it from within, causing its death The use of two or more
PR:PROJECT_SUMMARY               	microorganisms in a microbial consortium has been increasingly applied in the
PR:PROJECT_SUMMARY               	biological control of diseases and pests. Beauveria bassiana is one of the most
PR:PROJECT_SUMMARY               	widely studied fungal species in biological control, yet little is known about
PR:PROJECT_SUMMARY               	its role in fungal consortiums. In a previous study, our group found that a
PR:PROJECT_SUMMARY               	consortium formed by two strains of B. bassiana had significantly greater
PR:PROJECT_SUMMARY               	biocontrol potential against the polyphagous caterpillars Duponchelia fovealis
PR:PROJECT_SUMMARY               	(Lepidoptera: Crambidae) than either strain on its own. Despite recent
PR:PROJECT_SUMMARY               	developments and growing efforts to better understand fungal metabolism and
PR:PROJECT_SUMMARY               	metabolites, much remains unknown. Metabolomics therefore represents an
PR:PROJECT_SUMMARY               	important field for evaluating the metabolites produced or modified by an
PR:PROJECT_SUMMARY               	organism or its relationship with the environment. In the present study, we aim
PR:PROJECT_SUMMARY               	to use untargeted metabolomics with gas and liquid chromatography coupled to
PR:PROJECT_SUMMARY               	mass spectrometers (GC-MS and LC-MS/MS) to evaluate the metabolic alterations
PR:PROJECT_SUMMARY               	caused by the co-cultivation of these strains and to correlate the metabolites
PR:PROJECT_SUMMARY               	produced by this consortium with the increased mortality in D. fovealis observed
PR:PROJECT_SUMMARY               	previously.
PR:INSTITUTE                     	Universidade Federal do Paraná
PR:DEPARTMENT                    	Patologia Básica
PR:LABORATORY                    	Laboratório de Microbiologia e Biologia Molecular
PR:LAST_NAME                     	Stuart
PR:FIRST_NAME                    	Andressa
PR:ADDRESS                       	Av. Cel. Francisco Heráclito dos Santos, 100, 81530000, Jardim das Américas,
PR:ADDRESS                       	Curitiba, Paraná, Brasil
PR:EMAIL                         	andressa.katiski@gmail.com
PR:PHONE                         	5541991922779
PR:PROJECT_COMMENTS              	Two genetically distinct strains of B. bassiana (Bov 3 and Bov 2) were
PR:PROJECT_COMMENTS              	cultivated in Agar Sabouraud culture medium, both separately and co-cultivated
PR:PROJECT_COMMENTS              	to form a fungal consortium. The metabolomic analysis were performed at the
PR:PROJECT_COMMENTS              	Laboratório de Genética de Plantas Max Feffer facility of the Escola Superior
PR:PROJECT_COMMENTS              	de Agricultura Luiz de Queiroz of the Universidade de São Paulo (ESALQ/USP).
PR:PROJECT_COMMENTS              	Three reads of every biological replicate (five per treatment) were performed,
PR:PROJECT_COMMENTS              	generating fifteen readings for each treatment. Pools of metabolites from each
PR:PROJECT_COMMENTS              	group were created as a quality control.
PR:CONTRIBUTORS                  	Jason Lee Furuie, Thais Regiani Cataldi, Rodrigo Makowiecky Stuart, Maria
PR:CONTRIBUTORS                  	Aparecida Cassilha Zawadneak, Carlos Alberto Labate, Ida Chapaval Pimentel
#STUDY
ST:STUDY_TITLE                   	Fungal consortium of two Beauveria bassiana strains increases their virulence,
ST:STUDY_TITLE                   	growth, and resistance to stress: a metabolomic approach.
ST:STUDY_TYPE                    	Untargeted Metabolomics
ST:STUDY_SUMMARY                 	Entomopathogenic fungi have been successfully used to control agricultural
ST:STUDY_SUMMARY                 	pests. They infect insects by coming into direct contact with their cuticle or
ST:STUDY_SUMMARY                 	when feeding on contaminated leaves or fruits. After contact with the insect,
ST:STUDY_SUMMARY                 	the entomopathogenic fungus penetrates its body cavity, where it grows and
ST:STUDY_SUMMARY                 	colonizes it from within, causing its death The use of two or more
ST:STUDY_SUMMARY                 	microorganisms in a microbial consortium has been increasingly applied in the
ST:STUDY_SUMMARY                 	biological control of diseases and pests. Beauveria bassiana is one of the most
ST:STUDY_SUMMARY                 	widely studied fungal species in biological control, yet little is known about
ST:STUDY_SUMMARY                 	its role in fungal consortiums. In a previous study, our group found that a
ST:STUDY_SUMMARY                 	consortium formed by two strains of B. bassiana had significantly greater
ST:STUDY_SUMMARY                 	biocontrol potential against the polyphagous caterpillars Duponchelia fovealis
ST:STUDY_SUMMARY                 	(Lepidoptera: Crambidae) than either strain on its own. Despite recent
ST:STUDY_SUMMARY                 	developments and growing efforts to better understand fungal metabolism and
ST:STUDY_SUMMARY                 	metabolites, much remains unknown. Metabolomics therefore represents an
ST:STUDY_SUMMARY                 	important field for evaluating the metabolites produced or modified by an
ST:STUDY_SUMMARY                 	organism or its relationship with the environment. In the present study, we aim
ST:STUDY_SUMMARY                 	to use untargeted metabolomics with gas and liquid chromatography coupled to
ST:STUDY_SUMMARY                 	mass spectrometers (GC-MS and LC-MS/MS) to evaluate the metabolic alterations
ST:STUDY_SUMMARY                 	caused by the co-cultivation of these strains and to correlate the metabolites
ST:STUDY_SUMMARY                 	produced by this consortium with the increased mortality in D. fovealis observed
ST:STUDY_SUMMARY                 	previosly.
ST:INSTITUTE                     	Universidade Federal do Paraná
ST:DEPARTMENT                    	Patologia Básica
ST:LABORATORY                    	Laboratório de Microbiologia e Biologia Molecular
ST:LAST_NAME                     	Stuart
ST:FIRST_NAME                    	Andressa
ST:ADDRESS                       	Av. Cel. Francisco Heráclito dos Santos, 100, 81530000, Jardim das Américas,
ST:ADDRESS                       	Curitiba, Paraná, Brasil
ST:EMAIL                         	andressa.katiski@gmail.com
ST:PHONE                         	5541991922779
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	15
ST:STUDY_COMMENTS                	Two genetically distinct strains of B. bassiana (Bov 3 and Bov 2) were
ST:STUDY_COMMENTS                	cultivated in Agar Sabouraud culture medium, both separately and co-cultivated
ST:STUDY_COMMENTS                	to form a fungal consortium. The metabolomic analysis were performed at the
ST:STUDY_COMMENTS                	Laboratório de Genética de Plantas Max Feffer facility of the Escola Superior
ST:STUDY_COMMENTS                	de Agricultura Luiz de Queiroz of the Universidade de São Paulo (ESALQ/USP).
ST:STUDY_COMMENTS                	Three reads of every biological replicate (five per treatment) were performed,
ST:STUDY_COMMENTS                	generating fifteen readings for each treatment. Pools of metabolites from each
ST:STUDY_COMMENTS                	group were created as a quality control.
#SUBJECT
SU:SUBJECT_TYPE                  	Fungi
SU:SUBJECT_SPECIES               	Beauveria bassiana
SU:GENOTYPE_STRAIN               	GenBank: KU751847; KU751848
#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           	-	Bov2_1	Fungal species:Beauveria bassiana Strain Bov2	RAW_FILE_NAME=Bov2_1; RAW_FILE_NAME=Bov2_1_R001; Bov2_1_R002; Bov2_1_R003; RAW_FILE_NAME=Bov2_1_R001_NEG; Bov2_1_R002_NEG; Bov2_1_R003_NEG; Group=Bov2
SUBJECT_SAMPLE_FACTORS           	-	Bov2_2	Fungal species:Beauveria bassiana Strain Bov2	RAW_FILE_NAME=Bov2_2; RAW_FILE_NAME=Bov2_2_R001; Bov2_2_R002; Bov2_2_R003; RAW_FILE_NAME=Bov2_2_R001_NEG; Bov2_2_R002_NEG; Bov2_2_R003_NEG; Group=Bov2
SUBJECT_SAMPLE_FACTORS           	-	Bov2_3	Fungal species:Beauveria bassiana Strain Bov2	RAW_FILE_NAME=Bov2_3; RAW_FILE_NAME=Bov2_3_R001; Bov2_3_R002; Bov2_3_R003; RAW_FILE_NAME=Bov2_3_R001_NEG; Bov2_3_R003_NEG; Bov2_3_R003_NEG; Group=Bov2
SUBJECT_SAMPLE_FACTORS           	-	Bov2_4	Fungal species:Beauveria bassiana Strain Bov2	RAW_FILE_NAME=Bov2_4; RAW_FILE_NAME=Bov2_4_R001; Bov2_4_R002; Bov2_4_R003; RAW_FILE_NAME=Bov2_4_R001_NEG; Bov2_4_R002_NEG; Bov2_4_R003_NEG; Group=Bov2
SUBJECT_SAMPLE_FACTORS           	-	Bov2_5	Fungal species:Beauveria bassiana Strain Bov2	RAW_FILE_NAME=Bov2_5; RAW_FILE_NAME=Bov2_5_R001; Bov2_5_R002; Bov2_5_R003; RAW_FILE_NAME=Bov2_5_R001_NEG; Bov2_5_R002_NEG; Bov2_5_R003_NEG; Group=Bov2
SUBJECT_SAMPLE_FACTORS           	-	Bov3_1	Fungal species:Beauveria bassiana Strain Bov3	RAW_FILE_NAME=Bov3_1; RAW_FILE_NAME=Bov3_1_R001; Bov3_1_R002; Bov3_1_R003; RAW_FILE_NAME=Bov3_1_R001_NEG; Bov3_1_R002_NEG; Bov3_1_R003_NEG; Group=Bov3
SUBJECT_SAMPLE_FACTORS           	-	Bov3_2	Fungal species:Beauveria bassiana Strain Bov3	RAW_FILE_NAME=Bov3_2; RAW_FILE_NAME=Bov3_2_R001; Bov3_2_R002; Bov3_2_R003; RAW_FILE_NAME=Bov3_2_R001_NEG; Bov3_2_R002_NEG; Bov3_2_R003_NEG; Group=Bov3
SUBJECT_SAMPLE_FACTORS           	-	Bov3_3	Fungal species:Beauveria bassiana Strain Bov3	RAW_FILE_NAME=Bov3_3; RAW_FILE_NAME=Bov3_3_R001; Bov3_3_R002; Bov3_3_R003; RAW_FILE_NAME=Bov3_3_R001_NEG; Bov3_3_R002_NEG; Bov3_3_R003_NEG; Group=Bov3
SUBJECT_SAMPLE_FACTORS           	-	Bov3_4	Fungal species:Beauveria bassiana Strain Bov3	RAW_FILE_NAME=Bov3_4; RAW_FILE_NAME=Bov3_4_R001; Bov3_4_R002; Bov3_4_R003; RAW_FILE_NAME=Bov3_4_R001_NEG; Bov3_4_R002_NEG; Bov3_4_R003_NEG; Group=Bov3
SUBJECT_SAMPLE_FACTORS           	-	Bov3_5	Fungal species:Beauveria bassiana Strain Bov3	RAW_FILE_NAME=Bov3_5; RAW_FILE_NAME=Bov3_5_R001; Bov3_5_R002; Bov3_5_R003; RAW_FILE_NAME=Bov3_5_R001_NEG; Bov3_5_R002_NEG; Bov3_5_R003_NEG; Group=Bov3
SUBJECT_SAMPLE_FACTORS           	-	Consortium_1	Fungal species:Consortium formed by Bov2 and Bov3 strains	RAW_FILE_NAME=Cons_1; RAW_FILE_NAME=Cons_1_R001; Cons_1_R002; Cons_1_R003; RAW_FILE_NAME=Cons_1_R001_NEG; Cons_1_R002_NEG; Cons_1_R003_NEG; Group=Cons
SUBJECT_SAMPLE_FACTORS           	-	Consortium_2	Fungal species:Consortium formed by Bov2 and Bov3 strains	RAW_FILE_NAME=Cons_2; RAW_FILE_NAME=Cons_2_R001; Cons_2_R002; Cons_2_R003; RAW_FILE_NAME=Cons_2_R001_NEG; Cons_2_R002_NEG; Cons_2_R003_NEG; Group=Cons
SUBJECT_SAMPLE_FACTORS           	-	Consortium_3	Fungal species:Consortium formed by Bov2 and Bov3 strains	RAW_FILE_NAME=Cons_3; RAW_FILE_NAME=Cons_3_R001; Cons_3_R002; Cons_3_R003; RAW_FILE_NAME=Cons_3_R001_NEG; Cons_3_R002_NEG; Cons_3_R003_NEG; Group=Cons
SUBJECT_SAMPLE_FACTORS           	-	Consortium_4	Fungal species:Consortium formed by Bov2 and Bov3 strains	RAW_FILE_NAME=Cons_4; RAW_FILE_NAME=Cons_4_R001; Cons_4_R002; Cons_4_R003; RAW_FILE_NAME=Cons_4_R001_NEG; Cons_4_R002_NEG; Cons_4_R003_NEG; Group=Cons
SUBJECT_SAMPLE_FACTORS           	-	Consortium_5	Fungal species:Consortium formed by Bov2 and Bov3 strains	RAW_FILE_NAME=Cons_5; RAW_FILE_NAME=Cons_5_R001; Cons_5_R002; Cons_5_R003; RAW_FILE_NAME=Cons_5_R001_NEG; Cons_5_R002_NEG; Cons_5_R003_NEG; Group=Cons
#COLLECTION
CO:COLLECTION_SUMMARY            	Two genetically distinct strains of Beauveria bassiana (Bov 3 and Bov 2) were
CO:COLLECTION_SUMMARY            	cultivated both separately and co-cultivated to form a fungal consortium. After
CO:COLLECTION_SUMMARY            	the colonies had grown, the mycelium of each treatment (Bov 2, Bov 3, and the
CO:COLLECTION_SUMMARY            	fungal consortium) was scraped from the culture medium with a spatula and then
CO:COLLECTION_SUMMARY            	macerated separately in liquid nitrogen (N2)
CO:COLLECTION_PROTOCOL_FILENAME  	MetaboliteExtraction
CO:SAMPLE_TYPE                   	Fungal mycelium
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Two genetically distinct strains of B. bassiana (Bov 3 and Bov 2) were
TR:TREATMENT_SUMMARY             	cultivated in Petri dishes containing Agar Sabouraud culture medium, both
TR:TREATMENT_SUMMARY             	separately and co-cultivated to form a fungal consortium. The cultures were
TR:TREATMENT_SUMMARY             	incubated in the dark in a biological oxygen demand (BOD) oven for 14 days at
TR:TREATMENT_SUMMARY             	28°C.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Extraction was performed in microtubes, from 200 mg of fungal macerate to which
SP:SAMPLEPREP_SUMMARY            	1 mL of 6:2:2 methanol:chloroform:water ice-cold extraction solution was added.
SP:SAMPLEPREP_SUMMARY            	These extraction microtubes were vigorously vortexed and placed in an ultrasonic
SP:SAMPLEPREP_SUMMARY            	low-temperature bath at 20 Hz s-1 for 15 min. The samples were then centrifuged
SP:SAMPLEPREP_SUMMARY            	(Eppendorf, Germany) at 4°C for 10 min at 14,000 rpm. Then, the supernatant was
SP:SAMPLEPREP_SUMMARY            	filtered using a 0.22 μm Whatman® filter (Merck, Germany) and transferred to a
SP:SAMPLEPREP_SUMMARY            	chromatographic vial where the extracts were lyophilized (Thermo Fischer
SP:SAMPLEPREP_SUMMARY            	Scientific, MA, USA) until completely dry. Finally, the lyophilized samples were
SP:SAMPLEPREP_SUMMARY            	resuspended in 200 μL of extraction solution and aliquoted for use in the GC-MS
SP:SAMPLEPREP_SUMMARY            	and LC-MS/MS.
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	(.cdf)
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent DB-5 (20m x 0.18mm, 0.18um); Restek RX-T 17 (0.9m x 0.10mm, 0.10um)
CH:FLOW_RATE                     	1 mL.min-1
CH:COLUMN_TEMPERATURE            	70 - 320 ºC
CH:METHODS_FILENAME              	LCMSMS
CH:INJECTION_TEMPERATURE         	280 ºC
CH:SAMPLE_INJECTION              	1 uL
CH:OVEN_TEMPERATURE              	70°C for 2 min, increasing by 15°C·min-1 until it reached 320°C and then
CH:OVEN_TEMPERATURE              	held at this temperature for 4 min.
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Leco Pegasus 4D GCxGC TOF
MS:INSTRUMENT_TYPE               	GC x GC-TOF
MS:MS_TYPE                       	EI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	Data from GC-MS was processed using ChromaTOF 4.32 software. NIST library
MS:MS_COMMENTS                   	version 11 was used for the identification of metabolites.
MS:ION_SOURCE_TEMPERATURE        	250 ºC
MS:IONIZATION_ENERGY             	70 eV
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	Consortium_1	Consortium_2	Consortium_3	Consortium_4	Consortium_5	Bov3_1	Bov3_2	Bov3_3	Bov3_4	Bov3_5	Bov2_1	Bov2_2	Bov2_3	Bov2_4	Bov2_5
Factors	Fungal species:Consortium formed by Bov2 and Bov3 strains	Fungal species:Consortium formed by Bov2 and Bov3 strains	Fungal species:Consortium formed by Bov2 and Bov3 strains	Fungal species:Consortium formed by Bov2 and Bov3 strains	Fungal species:Consortium formed by Bov2 and Bov3 strains	Fungal species:Beauveria bassiana Strain Bov3	Fungal species:Beauveria bassiana Strain Bov3	Fungal species:Beauveria bassiana Strain Bov3	Fungal species:Beauveria bassiana Strain Bov3	Fungal species:Beauveria bassiana Strain Bov3	Fungal species:Beauveria bassiana Strain Bov2	Fungal species:Beauveria bassiana Strain Bov2	Fungal species:Beauveria bassiana Strain Bov2	Fungal species:Beauveria bassiana Strain Bov2	Fungal species:Beauveria bassiana Strain Bov2
1-Deoxypentitol	NA	NA	NA	NA	NA	0.409139361	0.281160094	0.13491179	0.255208093	NA	NA	NA	NA	NA	NA
1-Monopalmitin	7.966287942	6.2818918	3.566443807	7.102940942	7.231228635	2.551616656	2.382007123	2.401057923	3.766707942	5.377562489	2.5180544	2.951177673	3.570939285	3.921783738	7.597198629
1,2-Hexadecanediol	NA	0.288615647	NA	0.085819875	0.040063691	NA	NA	NA	NA	NA	0.038957767	0.110599612	0.112906218	0.117030561	NA
1,2,3,4-tetrahydro-6-methoxy-1-salicyl-7-Isoquinolinol	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.017795613	NA	NA	0.007110552	0.014999844
1,3-Butanediol	0.680746009	1.070623846	21.73680432	5.992704409	2.56261244	0.345311186	0.539299082	0.181811858	3.364469224	0.817212229	0.489424277	0.917808055	0.74507159	0.586623721	0.67671169
1,4-lactone, Allonic acid	0.910390759	NA	NA	0.686571107	0.171973517	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
1,5-Anhydro-D-sorbitol	7.461646012	NA	25.82836121	NA	10.66734044	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
2'-Deoxyadenosine	1.630165505	2.024904281	0.68427646	1.253465873	3.183576541	0.388625642	0.183690642	0.284554109	0.431170595	0.272990405	0.621718759	0.638569748	0.893947105	0.601726389	NA
2-Deoxy-erythro-pentonic acid	NA	NA	NA	NA	NA	2.847375592	0.037056766	2.499410417	NA	1.726039541	NA	NA	NA	NA	NA
2-deoxy-D-Erythro-Pentopyranose	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.170174837	3.198758066	NA	4.441412906
2-Hydroxyglutaric acid	NA	NA	NA	NA	NA	2.3682551	NA	0.02285147	1.854798113	1.131251437	NA	NA	NA	NA	NA
2-oxo-Propanoic acid	NA	NA	NA	NA	NA	0.022423911	0.638281925	0.480715648	NA	NA	NA	NA	NA	NA	NA
2-Phosphoglyceric acid	0.536320177	1.584792806	0.970306821	NA	0.262925917	NA	0.065890075	1.183942508	NA	1.391821077	NA	NA	NA	NA	NA
2-pyrrolidinone	0.161607938	0.101202002	NA	NA	0.062974318	0.183621673	0.003202938	0.074184372	0.074152302	0.151596554	0.076527077	0.103104644	0.065007982	0.146252401	0.123303058
2,5-Dimethoxymandelic acid	8.473597377	6.212892959	7.426219504	NA	10.87825898	3.566911023	0.574274278	NA	0.022238953	1.13100024	NA	NA	5.494522179	5.100469471	7.544246111
3-Deoxyhexitol	41.91474596	21.33064987	43.06216314	50.20780503	39.76483764	17.18644038	19.05998874	30.86780841	24.20691747	31.91575287	41.16073043	22.34643619	13.89739614	14.47110657	19.46786198
4-Aminobutanoic acid	18.12858277	50.32908557	24.66811543	28.8565268	40.74231036	38.12854247	4.785137774	25.58829677	4.7108517	8.21506383	40.43153627	34.64814977	23.57295286	57.48192827	82.90235817
4-Hydroxybutanoic acid	0.077057043	NA	0.014215184	0.180627308	0.095997256	0.14517337	NA	0.021170547	0.09096275	0.209984746	0.041973902	0.065022592	0.169184958	0.081068017	0.148376805
5-Hydroxypipecolic acid	NA	NA	NA	NA	NA	0.194414855	0.393959132	0.505027858	0.786342578	1.528793087	NA	NA	NA	NA	NA
5-Methyluridine	5.641809597	0.486316774	0.310367729	0.735464958	1.296357889	0.47736102	NA	0.247430402	0.330115739	NA	0.603942034	1.304948371	0.63078825	0.402402303	0.299622331
6-Fluoro-alpha-methyltryptamine	NA	NA	NA	NA	NA	48.42215019	0.060745722	17.23515772	23.46830526	55.4888943	NA	9.180771456	77.45690529	11.95956277	57.85807869
Acetic acid	0.650374682	0.365222892	0.314978778	0.157187978	0.382455932	0.258064923	0.264599852	0.283698861	0.154584287	0.122632313	0.152413718	0.393780999	0.185285802	0.077665323	0.240230025
alpha-D-(+)-Talopyranose	0.50910139	NA	NA	11.02782588	0.079122228	NA	2.002394912	2.476865657	7.080595342	2.115459577	NA	8.129167502	NA	0.729175709	4.569910716
Adenosine	12.82356937	4.274919506	2.052551938	4.592890831	5.29817561	3.207602729	1.660976025	1.584590447	2.341588088	0.724368869	5.342553081	15.47006644	7.439546801	3.4637979	3.04476765
Adenosine-5'-monophosphate	0.262394064	0.247455635	0.120167584	0.198538448	0.29719699	NA	NA	NA	NA	NA	0.293289238	0.152325274	0.083837666	NA	NA
Adrenaline	NA	NA	NA	NA	NA	NA	0.042490157	0.038935427	25.58648693	NA	NA	NA	NA	NA	NA
Ala-beta-Ala	NA	0.247221276	NA	0.813899285	0.528041036	NA	NA	NA	NA	NA	0.346702814	NA	0.022792445	NA	0.154732971
Alanine	53.71740396	39.98388496	31.7857085	43.37882706	53.68973875	125.3741915	86.77942905	48.71166878	37.77382618	42.6374017	13.93729431	50.04913995	31.66209718	66.40998115	33.39439028
Alanylglycine	0.017389651	0.219667123	35.66175427	NA	NA	NA	NA	NA	NA	NA	0.028957321	0.030457893	0.793629344	0.139517632	NA
alpha-D-Mannopyranose	19.09638846	14.45392416	0	25.34304638	35.01676083	0	0	0	0	0	10.6562069	12.18584365	23.20458265	22.1039547	22.54529376
Aminomalonic acid	NA	0.127205249	0.055799329	0.886982836	NA	0.383713274	0.200014006	0.215052365	0.224085223	NA	1.22977226	NA	1.038697081	1.297947175	1.330577981
Ammelide	17.71054512	NA	11.24897015	3.599175941	1.653822956	NA	1.400382795	1.70331218	NA	3.020647229	NA	NA	NA	NA	NA
Asparagine	12.82876648	9.223791161	23.00128116	16.08711751	10.0843478	15.07551657	9.911325561	42.90015655	5.517011373	13.9363052	9.554657413	2.012777109	6.29285125	9.757603785	14.32879311
Aucubin	0.384711624	8.237519464	22.99486318	18.402709	9.703232895	8.952156599	15.91095962	19.04189978	2.783787061	3.961572106	14.55265234	15.81983186	11.53041705	4.793864659	5.505414709
b-Aminoisobutyric acid	NA	0.12224078	10.0069721	1.370159355	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Butanedioic acid	NA	NA	NA	NA	NA	19.32804614	16.70353583	12.25298758	NA	9.546804121	5.720590128	7.204484215	5.00066952	NA	NA
cis-4-Decene-1,10-dioic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2.360362809	0.710152244	1.158915804
Citric acid	12.13468276	47.71232887	45.61472076	38.37161026	2.785967601	17.67753987	16.97675694	16.51606477	23.02835822	48.2443176	28.59193343	12.06675301	20.25170827	13.78394748	16.33904167
Cystathionine	6.643058031	8.058065942	7.909127541	8.200961255	9.515088116	5.575503932	4.679830264	7.995227769	2.822105813	6.924526407	6.669202932	1.098653944	1.685970082	2.962897281	6.821146313
Cysteine	1.081357117	0.791115065	0.408419767	0.718017853	0.400331077	2.269142575	1.099431643	1.285731358	1.822910338	1.131251437	1.14031342	0.130588141	1.113823268	0.95245079	0.68975153
D-(-)-Fructofuranose	NA	NA	NA	NA	NA	2.853134806	0.590158103	0.279863632	NA	2.762696392	0.821518351	5.487684324	NA	NA	0.218820353
D-(+)-Talofuranose	2.036608352	1.418769218	6.732882638	1.687369882	1.983584537	1.115144316	0.764787263	0.85373756	NA	1.043064166	5.824490458	1.539994138	0.765861538	1.489982827	13.7336297
Deoxyglucose	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.111897689	0.069816384	0.126528526	NA	NA
Deoxyguanosine	2.732550654	1.30770553	NA	1.215789375	1.572394122	NA	NA	NA	NA	NA	NA	2.602958708	1.688851387	NA	0.6778398
D-Galactofuranose phosphate	NA	1.418190556	NA	0.012252087	0.087368948	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
D-Galactose	38.80186972	0.316997165	0.197310557	0.100733579	0.627701943	0.709530982	61.49390419	43.47420193	65.09262809	0	21.49359224	4.051794685	0.959433131	0.26890341	0
D-Glucitol phosphate	0.064235399	0.080838602	NA	0.047807429	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Diisooctyl phthalate	NA	0.803079579	0.842027717	1.061463431	0.917640808	0.758559125	0.37591083	0.319717642	0.840368397	0.443826242	0.359706494	0.477833086	0.432188078	0.57112309	0.498581493
D-Mannopyranose phosphate	0.903636481	0.09138949	0.744560257	0.761067301	1.088038564	0.604983205	0.217711857	0.630817806	0.550481473	0.729052121	0.783604938	0.581113463	NA	0.207627978	NA
D-Sorbitol	0.428122565	0.556362554	0.173255604	15.53063806	9.379114448	3.252019894	0.216539987	6.173363875	NA	0.814379577	5.578664977	0.138599741	38.57722253	0.56929802	0.901670867
D-Xylose	NA	NA	NA	NA	NA	0.249706753	0.458494636	NA	NA	2.542939819	NA	NA	NA	NA	NA
D-Xylopyranose	0.713002696	0.095804035	0.473310944	0.433569695	0.044357199	0.159637415	0.023033186	0.08249099	0.141476245	0.408457536	0	1.451207075	0.91785997	0.187910866	0.445349591
Ethanimidic acid	0.50439972	0.355825074	0.28912346	NA	0.810203158	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Ethyl .alpha.-D-glucopyranoside	4.986068411	NA	NA	0.546735887	1.672591675	0.058127838	0.115580579	1.270738861	NA	NA	1.023581956	0.014179244	0.024136619	1.087456135	0.231116991
Fumaric acid	6.062949006	0	2.241850398	1.493290838	2.440620617	3.080908074	3.020886276	2.619550519	2.975175289	2.256712972	2.924673172	3.583953789	4.343685069	2.170962826	2.147498556
Galactaric acid	6.694124963	5.189182988	0.450023659	7.354929456	11.92611519	3.714454263	2.082337858	0.812776511	7.532521706	9.636269143	6.025042732	3.662341938	1.34352295	9.786277895	14.53484276
Gluconic acid phosphate	NA	1.533671305	1.199620089	2.70658299	NA	1.648876274	0.809105061	1.11899418	1.059628211	NA	3.380259069	2.302760032	0.466494973	NA	NA
Gluconic acid	NA	NA	NA	NA	NA	0.787237441	0.039447374	0.02330581	NA	NA	NA	NA	NA	NA	NA
Glucopyranose	22.09394773	17.24466839	29.75813105	14.18922299	29.63034761	16.00145928	21.56414127	23.71413931	31.27044789	15.99560577	15.24543636	32.91628807	4.156913682	40.86322653	53.82455418
Glyceric acid	2.699881524	0.871582728	1.296862086	1.251799753	2.096701361	1.145858883	0.592179232	0.693542016	1.688346279	0.555341372	0.68531163	2.118856935	1.70517928	0.860661365	1.306077892
Glycerol	4.31751509	2.406075405	NA	NA	18.31323918	NA	NA	24.48302947	48.67163847	12.1930285	34.39414185	10.07539256	64.60610686	39.54189897	38.90647892
Glycerol monostearate	0.947684061	2.028363933	0.727715903	0.84459177	0.948492662	0.836739502	0.87673773	0.631366403	1.191666877	1.307927257	0.660576959	0.48067961	0.890024502	1.305450209	3.517658795
Glycerol-3-phosphate	33.09175634	69.51188962	25.97120865	44.34222006	39.04447751	5.48773458	14.63121578	12.19402728	20.35236462	14.78787547	21.59742727	32.02875534	42.25167268	21.47689845	37.51002047
Glyceryl-glycoside	0.135340484	0.256765089	0.842027717	0.676098783	0.548943184	1.422532962	0.37591083	0.043186713	0.425400305	0.873006173	0.369001636	1.13091472	0.576024008	0.310267526	NA
Glycine	24.7245338	19.80313421	11.61714332	21.84582366	25.35984876	20.23403205	17.35159598	12.8396257	19.10061299	10.55035237	18.87784683	22.42316329	18.36807121	14.69866307	13.6509357
Guanosine	13.87492664	7.409213426	NA	8.374304262	8.820722503	NA	NA	NA	NA	NA	13.74077913	14.34644844	11.14973242	NA	NA
Gulonic acid	4.49945223	3.922676349	1.317004345	27.91883184	4.245876028	4.080497987	1.701284655	3.170943939	NA	1.207903772	3.975140093	5.618765515	8.133098684	4.060805725	11.65959681
Heptadecanoic acid	0.190942174	0.359457357	0.251000784	NA	0.219940191	0.099311192	NA	0.115234374	NA	0.182556488	0.160928005	0.14187503	NA	0.251901935	0.672780676
Inosine	1.083589095	0.541307745	0.321325512	0.476428244	0.935799186	0.674541525	0.360764509	0.42416755	0.447112964	NA	1.32708349	1.19569679	0.715752663	0.617973682	0.550791097
L-(-)-Arabitol	2.918453994	NA	2.570788932	2.090071649	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Lactic acid	9.757993025	1.331322571	1.75511646	1.140748985	2.178848908	4.232700534	0.708387138	1.244918429	1.406338036	1.059994776	1.083566883	3.303889359	3.06059223	0.616488105	2.646315411
L-Aspartic acid	64.24200045	43.61899899	18.76387814	31.07300821	45.74165227	52.98408746	24.82007464	44.99997892	32.15251156	18.01897892	35.97213363	33.04503784	30.52554617	29.76281502	30.76032367
L-Cystine	0.142638539	0.047195594	NA	0.117763901	0.058001185	0.064071121	0.078874789	NA	0.10225031	NA	0.092965073	NA	0.322015928	0.103999378	NA
Leu-Gly	NA	0.491138646	0.404695777	0.503715121	0.902880302	0.283133469	0.355734172	0.907775439	0.325144111	NA	0.915260588	NA	NA	3.388739845	1.126579476
L-Fucitol	0.686477611	NA	0.505691334	0.746080048	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
L-fucose	NA	1.418190556	1.110311818	0.049727442	0.902880302	NA	1.73778201	0.763925782	0.792933459	0.272990405	NA	NA	1.182440305	0.601726389	9.582458214
L-Glutamic acid	10.19383239	7.106844446	14.55971876	10.78572636	37.1666069	11.53822092	8.650174768	10.62984813	16.51205228	8.964571808	9.875094834	55.48824512	21.20375096	9.762652535	11.64736016
L-Glutamine	2.128497076	75.94886121	27.98046969	0.868309733	5.695237312	65.43754662	80.810763	71.37332232	119.7239904	132.9457296	58.96793668	NA	NA	5.282016095	23.92370981
L-Histidine	1.142420824	2.297634746	1.901903114	1.325145806	2.166663296	2.338574097	1.919420657	2.702796901	1.648988397	1.689815868	2.045023575	NA	4.320694368	1.619185693	1.709116806
L-Homocystine, [S-(R*,R*)]-	1.019566257	0.784350521	0.934534076	0.97819703	1.770597786	0.724956544	0.318454062	0.771102854	0.341216525	0.212582147	NA	NA	NA	NA	NA
L-Homoserine	NA	NA	NA	NA	NA	0.133192566	0.066250868	0.039125195	NA	NA	2.246277498	NA	0.010905715	0.070627076	NA
Linoleic acid	6.210373427	24.77044389	7.235160959	2.513979972	2.29234843	2.731547518	2.196640752	1.688360236	2.913321629	4.1600894	4.205685184	13.38228455	4.121723682	10.33771903	26.88198041
L-Isoleucine	16.78165609	43.85154853	8.579720801	10.78225496	1.986758157	10.24285625	6.25897534	5.483630881	10.88264117	2.889234235	16.57830815	16.28659246	14.50602289	7.232388393	8.51871425
L-Leucine	4.445351094	29.73871173	8.053224259	6.437540964	8.156756959	9.915383885	0	5.459977711	7.104437644	11.52131479	21.52649689	14.8943514	18.13841285	29.96464218	2.560844648
L-Lysine	41.16908778	20.4956433	16.97738166	18.50239812	14.16065071	22.70018209	13.94810109	12.47388081	25.03163711	8.117668243	23.31707354	NA	29.30004659	20.55316955	18.81172296
L-Methionine	0	0	0	0	0	0	0	0	0	0	0.143584004	0.860701711	0.072857533	0	0.075185812
L-Norleucine	NA	NA	NA	NA	NA	0.908952673	11.16709654	NA	0.164042982	NA	0.012674231	NA	0.558369201	0.246514019	0.090425334
L-Norvaline	NA	0.42147309	0.277961733	NA	0.552344194	NA	NA	NA	NA	NA	0.4296424	0.768272047	NA	0.611139372	0.163311298
L-Proline	19.55566347	18.92325095	9.163419073	17.88953046	19.1997497	9.722370249	34.14839186	9.880478065	12.97453313	11.2469817	20.41865711	19.28635232	20.46063266	13.30346718	14.30021715
L-threonine	74.77853597	18.81661246	17.71430173	23.98852003	9.935128584	18.88171262	16.12882185	13.65954971	17.29809924	10.47406735	27.73308309	43.31720607	27.79056656	16.50982632	35.68427795
L-Tryptophan	17.50445012	3.256464282	2.941199284	4.460817484	4.341533131	2.886359415	2.05334702	3.125711975	3.001894557	1.119009475	10.12779674	2.870572118	4.115879684	3.240025791	5.610223789
L-Valyl-L-leucine	1.855222875	NA	NA	2.205721734	2.479708169	0.722635641	0.505078481	1.291269078	1.625216146	NA	1.284184453	NA	0.514503058	0.98245694	0.864396224
Lyxose	2.700451033	NA	1.352268201	1.739492497	2.870567779	1.720653742	0.757980354	1.462388967	1.449564709	2.523869335	0.821961499	1.320624003	1.40919083	0.068714888	1.962672673
Malic acid	9.64614329	17.01411422	18.76790515	9.9581485	11.54533001	11.17141298	7.128311074	10.93843362	8.807346872	8.423065374	8.163749083	13.66313535	9.386297834	4.61179309	5.602009258
Mannitol	16.24191274	58.64690035	142.6164751	174.4298776	55.88530585	113.9820982	136.7127902	110.2886407	112.4030702	66.13446844	83.14084493	49.5806596	38.28718501	203.2806939	41.60744638
meso-Erythritol	NA	NA	NA	NA	NA	2.141261724	64.10605025	49.76094066	NA	0.248539101	1.838725742	6.001525152	NA	2.73773139	0.541170798
Methyl galactoside	1.186703268	0.877650885	0.079553671	1.29812571	1.833882364	1.722185402	1.253877802	0.974372142	0.325144111	0	0	1.996869893	1.681848387	0.778020426	2.037363593
Methyl phosphate	0.9110216	0.780279112	0.106958679	1.58557719	0.371948432	0.099242176	0.186824088	0.165037838	2.600827052	NA	1.178353883	1.4205575	0.675349628	0.508220338	0.249307956
Methylmaleic acid	NA	NA	NA	NA	NA	NA	0.053448247	0.022454574	0.016164532	0.175531276	0.027460832	NA	0.139727772	0.129194441	0.030876576
Monostearin	2.926997207	2.397024276	1.479485724	2.88288658	2.907555165	0.910738693	1.631495753	1.476700973	1.413263498	3.632612107	1.186547915	1.056199824	1.47723239	1.593307722	2.840050149
Myoinositol 1-phosphate	19.02614151	18.54124195	12.04011709	36.53857209	22.62240025	33.99535213	10.27623871	15.93436896	18.07987537	10.4673	15.87936838	19.04628923	31.24577187	24.37476262	23.35370955
Myo-Inositol	6.747602513	6.129567156	5.718737915	16.43618542	11.64128952	5.165864132	3.223471246	4.168459974	6.935054061	7.099186285	9.950564877	5.456926606	7.194266626	7.520446195	10.54397035
N-Acetyl-D-glucosamine	21.12111223	21.74360615	6.136768564	14.70726638	15.10735958	10.17376309	12.52909252	15.31063444	24.60209234	9.187934632	21.15027948	14.22541657	25.98065733	17.6584682	18.73059168
N-alpha-Acetyl-L-Lysine	1.855222875	0.374546065	0.228374306	1.082260127	0.89212387	NA	NA	NA	NA	NA	0.724068902	4.681509027	NA	20.72874987	NA
N-ethoxycarbonyl-, nonyl ester, L-Norvaline	NA	NA	NA	NA	NA	0.263220415	NA	3.69E-05	0.952840811	0.212582147	NA	NA	NA	NA	NA
N-Methyl-L-prolinol	NA	NA	NA	NA	NA	0.050291304	NA	0.022504756	0.002916931	NA	NA	NA	NA	NA	NA
N-methyl-N-methoxycarbonyl-, undecyl ester, Alanine	13.24572776	45.18453996	5.959574142	0.656501476	29.92124369	20.14806686	6.623153323	55.9525499	0.051563907	0.097249222	23.46441329	0.026245981	0.702676109	17.69030531	18.76433255
N-methoxycarbonyl-, isohexyl ester, L-Norleucine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.000424185	0.006085202	0.003232001	0.001407815	NA
Oleamide	NA	NA	NA	NA	NA	0.049058206	0.067571136	NA	0.130949285	0.312609331	NA	NA	NA	NA	NA
Octahydro-2,2'-Bifuran	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.009460938	NA	0.001122401	0.022129044	NA
Ornithine	4.987307267	4.286945904	19.1710921	19.37755126	11.35569501	8.231290036	1.216252292	3.309939813	17.37090421	1.227157727	2.551117724	6.013885563	17.26530392	14.61855606	16.76088812
Phenylalanine	15.2313656	7.824499388	2.406957402	8.1650973	2.614792475	9.800614955	6.331823631	4.651111271	9.609524794	2.635634146	8.620255192	4.811825356	11.8116606	8.924134298	7.630810168
Palmitic Acid	3.53513355	9.010401423	4.999591652	3.084042792	1.467471848	3.507732781	2.77319235	2.510616342	3.877023798	3.784368245	3.764219851	3.636954467	3.660627968	5.84783567	9.066060019
Phenylpropanolamine	40.74128753	17.14961463	69.76305379	46.34715276	38.41203737	16.69210909	128.197257	55.75261075	23.95091135	103.0098354	38.72259592	56.70027609	0.188716084	48.61317538	23.05295768
Pipecolic acid	0.061720056	NA	23.43049454	NA	22.10883385	1.145858883	0.760035581	0.105872014	NA	59.68509909	1.032139687	32.29445068	0.213144572	0.000204113	NA
Pseudo uridine	0.608864037	0.139256546	0.040872124	0.083672344	0.164269393	0.089051289	0.066883892	0.053706372	0.075027359	NA	0.107279755	0.320263792	0.314959688	0.06895255	0.043045822
Putrescine	0.536320177	1.671213521	0.257689641	1.046161756	1.138880192	2.546636239	1.137081516	1.183942508	1.822525597	1.391821077	1.861864283	0.823287272	1.39766566	2.31758515	2.513956432
Pyroglutamic acid	62.09367087	30.90850784	81.85575073	48.42559395	102.8890141	41.32919704	39.32580556	60.20197135	30.96239217	58.42676946	41.1717062	43.76370708	87.55506864	45.1427088	34.19565089
Ribitol	7.427757382	61.05584684	19.32047564	9.811455382	29.8344944	52.20968299	10.36087427	8.934633465	51.955369	96.7295372	78.98903141	99.15905282	71.63021935	6.411593495	24.01266838
Ribonic acid	1.635123521	0.188662706	0.559775465	1.211370946	1.128420471	0.599068099	0.321481653	NA	0.362671995	0.259398297	0.308556892	0.350841419	0.588289821	0.247657766	1.004924308
Serine	51.58069246	13.53386803	17.01010738	21.66112232	39.19885116	28.27665551	19.29758987	16.75936506	25.91401534	17.85212106	26.24775157	44.9699189	26.50982207	20.99394945	41.32268431
Thymidine	0.136619787	NA	NA	0.041630711	0.055046694	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Thymine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.004820257	NA	0.046281532	0.003563802	0.005023086
Traumatic acid	NA	NA	NA	NA	NA	NA	1.202967712	3.48810666	NA	2.602169943	NA	NA	NA	NA	NA
Tyramine	0.358109897	NA	0.057731596	0.125205881	0.157991242	NA	NA	NA	NA	NA	0.173439479	0.52204248	NA	0.391362277	NA
Tyrosine	0.681207457	5.831352374	5.005674461	5.261606479	7.337118015	8.578149875	4.449087593	1.759605943	10.96943621	2.716311395	27.00321266	11.82327718	13.71695315	13.2385731	8.91364013
Uracil	8.015821185	3.709841022	2.090863686	0	3.964171589	3.080908074	2.504718275	1.899616966	2.975175289	2.256712972	2.924673172	12.60820287	8.645160187	2.170962826	2.147498556
Uridine	5.348109806	1.533671305	1.199620089	2.954598904	4.273292266	1.648876274	0.809105061	1.11899418	1.059628211	0.549115104	3.380259069	2.302760032	3.247976363	2.03868436	1.572467586
Uridine-5'-monophosphate	0.441939121	0.06502879	0.253652532	0.168248301	0.361486256	NA	NA	NA	NA	NA	0.092670381	0.089424349	0.063142191	NA	NA
Valine	18.40109524	12.48742363	9.621944856	7.568520692	9.141922087	15.07674636	14.5048832	9.900721398	11.15394538	4.443824589	14.44209635	12.20257487	9.59092806	10.42995919	20.35167824
Val-Val	0.507308894	0.374546065	0.832978514	NA	NA	0.751362923	0.318454062	0.241194322	0.341216525	NA	0.512736483	NA	0.491549697	0.259686492	NA
Xanthin	4.49945223	3.922676349	1.317004345	5.77038905	NA	4.080497987	1.701284655	2.451469404	1.990861032	1.207903772	NA	NA	NA	NA	NA
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	NIST ID
1-Deoxypentitol	38399-mainlib
1-Monopalmitin	37037-mainlib
1,2-Hexadecanediol	197559-mainlib
1,2,3,4-tetrahydro-6-methoxy-1-salicyl-7-Isoquinolinol	146641-mainlib
1,3-Butanediol	9344-replib
1,4-lactone, Allonic acid	38863-mainlib
1,5-Anhydro-D-sorbitol	38852-mainlib
2'-Deoxyadenosine	39426-mainlib
2-Deoxy-erythro-pentonic acid	38732-mainlib
2-deoxy-D-Erythro-Pentopyranose	38368-mainlib
2-Hydroxyglutaric acid	38518-mainlib
2-oxo-Propanoic acid	119415-mainlib
2-Phosphoglyceric acid	182213-mainlib
2-pyrrolidinone	20964-replib
2,5-Dimethoxymandelic acid	180081-mainlib
3-Deoxyhexitol	39620-mainlib
4-Aminobutanoic acid	143908-mainlib
4-Hydroxybutanoic acid	119436-mainlib
5-Hydroxypipecolic acid	182275-mainlib
5-Methyluridine	39480-mainlib
6-Fluoro-alpha-methyltryptamine	86261-mainlib
Acetic acid	119424-mainlib
alpha-D-(+)-Talopyranose	39379-mainlib
Adenosine	39649-mainlib
Adenosine-5'-monophosphate	39093-mainlib
Adrenaline	86262-mainlib
Ala-beta-Ala	86255-mainlib
Alanine	86265-mainlib
Alanylglycine	86256-mainlib
alpha-D-Mannopyranose	164557-mainlib
Aminomalonic acid	38864-mainlib
Ammelide	204743-mainlib
Asparagine	9095-replib
Aucubin	37875-mainlib
b-Aminoisobutyric acid	39144-mainlib
Butanedioic acid	119441-mainlib
cis-4-Decene-1,10-dioic acid	37794-mainlib
Citric acid	191513-mainlib
Cystathionine	171347-mainlib
Cysteine	172585-mainlib
D-(-)-Fructofuranose	39494-mainlib
D-(+)-Talofuranose	170819-mainlib
Deoxyglucose	39363-mainlib
Deoxyguanosine	39860-mainlib
D-Galactofuranose phosphate	39967-mainlib
D-Galactose	9365-replib
D-Glucitol phosphate	40053-mainlib
Diisooctyl phthalate	21799-replib
D-Mannopyranose phosphate	39404-mainlib
D-Sorbitol	38923-mainlib
D-Xylose	39397-mainlib
D-Xylopyranose	39394-mainlib
Ethanimidic acid	119576-mainlib
Ethyl .alpha.-D-glucopyranoside	164509-mainlib
Fumaric acid	182607-mainlib
Galactaric acid	9634-replib
Gluconic acid phosphate	39947-mainlib
Gluconic acid	39362-mainlib
Glucopyranose	39377-mainlib
Glyceric acid	38809-mainlib
Glycerol	39414-mainlib
Glycerol monostearate	86865-mainlib
Glycerol-3-phosphate	40201-mainlib
Glyceryl-glycoside	164510-mainlib
Glycine	24429-replib
Guanosine	40113-mainlib
Gulonic acid	40134-mainlib
Heptadecanoic acid	38392-mainlib
Inosine	39534-mainlib
L-(-)-Arabitol	38768-mainlib
Lactic acid	38429-mainlib
L-Aspartic acid	39626-mainlib
L-Cystine	171348-mainlib
Leu-Gly	130516-mainlib
L-Fucitol	38428-mainlib
L-fucose	39381-mainlib
L-Glutamic acid	182910-mainlib
L-Glutamine	39000-mainlib
L-Histidine	127203-mainlib
L-Homocystine, [S-(R*,R*)]-	9264-replib
L-Homoserine	171358-mainlib
Linoleic acid	9961-replib
L-Isoleucine	130529-mainlib
L-Leucine	130526-mainlib
L-Lysine	39149-mainlib
L-Methionine	145224-mainlib
L-Norleucine	39020-mainlib
L-Norvaline	116925-mainlib
L-Proline	9291-replib
L-threonine	38447-mainlib
L-Tryptophan	163567-mainlib
L-Valyl-L-leucine	116931-mainlib
Lyxose	39380-mainlib
Malic acid	38880-mainlib
Mannitol	38929-mainlib
meso-Erythritol	38855-mainlib
Methyl galactoside	39358-mainlib
Methyl phosphate	180906-mainlib
Methylmaleic acid	21394-replib
Monostearin	209278-mainlib
Myoinositol 1-phosphate	38857-mainlib
Myo-Inositol	9617-replib
N-Acetyl-D-glucosamine	142585-mainlib
N-alpha-Acetyl-L-Lysine	143916-mainlib
N-ethoxycarbonyl-, nonyl ester, L-Norvaline	117448-mainlib
N-Methyl-L-prolinol	48768-mainlib
N-methyl-N-methoxycarbonyl-, undecyl ester, Alanine	86442-mainlib
N-methoxycarbonyl-, isohexyl ester, L-Norleucine	117068-mainlib
Oleamide	6997-replib
Octahydro-2,2'-Bifuran	35135-mainlib
Ornithine	115343-mainlib
Phenylalanine	39552-mainlib
Palmitic Acid	86863-mainlib
Phenylpropanolamine	86253-mainlib
Pipecolic acid	129208-mainlib
Pseudo uridine	39533-mainlib
Putrescine	143937-mainlib
Pyroglutamic acid	49101-mainlib
Ribitol	9203-replib
Ribonic acid	38766-mainlib
Serine	164581-mainlib
Thymidine	68930-mainlib
Thymine	185875-mainlib
Traumatic acid	37655-mainlib
Tyramine	24434-replib
Tyrosine	147068-mainlib
Uracil	38117-mainlib
Uridine	39489-mainlib
Uridine-5'-monophosphate	39096-mainlib
Valine	36240-mainlib
Val-Val	116932-mainlib
Xanthin	40186-mainlib
METABOLITES_END
#END