#METABOLOMICS WORKBENCH khuus_20210711_060907 DATATRACK_ID:2742 STUDY_ID:ST001862 ANALYSIS_ID:AN003019 PROJECT_ID:PR001175
VERSION             	1
CREATED_ON             	July 17, 2021, 9:25 am
#PROJECT
PR:PROJECT_TITLE                 	Cross-feeding between intestinal pathobionts promotes their overgrowth during
PR:PROJECT_TITLE                 	undernutrition
PR:PROJECT_SUMMARY               	Child undernutrition is a global health issue associated with a high burden of
PR:PROJECT_SUMMARY               	infectious disease. Undernourished children display an overabundance of
PR:PROJECT_SUMMARY               	intestinal pathogens and pathobionts, and these bacteria induce enteric
PR:PROJECT_SUMMARY               	dysfunction in undernourished mice; however, the cause of their overgrowth
PR:PROJECT_SUMMARY               	remains poorly defined. Here, we show that disease-inducing human isolates of
PR:PROJECT_SUMMARY               	Enterobacteriaceae and Bacteroidales spp. are capable of multi-species symbiotic
PR:PROJECT_SUMMARY               	cross-feeding, resulting in synergistic growth of a mixed community in vitro.
PR:PROJECT_SUMMARY               	Growth synergy occurs uniquely under malnourished conditions limited in protein
PR:PROJECT_SUMMARY               	and iron: in this context, Bacteroidales spp. liberate diet- and mucin-derived
PR:PROJECT_SUMMARY               	sugars and Enterobacteriaceae spp. enhance the bioavailability of iron. Analysis
PR:PROJECT_SUMMARY               	of human microbiota datasets reveals that Bacteroidaceae and Enterobacteriaceae
PR:PROJECT_SUMMARY               	are strongly correlated in undernourished children, but not in adequately
PR:PROJECT_SUMMARY               	nourished children, consistent with a diet-dependent growth synergy in the human
PR:PROJECT_SUMMARY               	gut. Together these data suggest that dietary cross-feeding fuels the overgrowth
PR:PROJECT_SUMMARY               	of pathobionts in undernutrition.
PR:INSTITUTE                     	University of British Columbia
PR:DEPARTMENT                    	Michael Smith Laboratories
PR:LAST_NAME                     	Huus
PR:FIRST_NAME                    	Kelsey
PR:ADDRESS                       	3125 East Mall, Vancouver, British Columbia, V6T 1Z4, Canada
PR:EMAIL                         	khuus@msl.ubc.ca
PR:PHONE                         	+1-604-822-2210
#STUDY
ST:STUDY_TITLE                   	Cross-feeding between intestinal pathobionts promotes their overgrowth during
ST:STUDY_TITLE                   	undernutrition
ST:STUDY_SUMMARY                 	Child undernutrition is a global health issue associated with a high burden of
ST:STUDY_SUMMARY                 	infectious disease. Undernourished children display an overabundance of
ST:STUDY_SUMMARY                 	intestinal pathogens and pathobionts, and these bacteria induce enteric
ST:STUDY_SUMMARY                 	dysfunction in undernourished mice; however, the cause of their overgrowth
ST:STUDY_SUMMARY                 	remains poorly defined. Here, we show that disease-inducing human isolates of
ST:STUDY_SUMMARY                 	Enterobacteriaceae and Bacteroidales spp. are capable of multi-species symbiotic
ST:STUDY_SUMMARY                 	cross-feeding, resulting in synergistic growth of a mixed community in vitro.
ST:STUDY_SUMMARY                 	Growth synergy occurs uniquely under malnourished conditions limited in protein
ST:STUDY_SUMMARY                 	and iron: in this context, Bacteroidales spp. liberate diet- and mucin-derived
ST:STUDY_SUMMARY                 	sugars and Enterobacteriaceae spp. enhance the bioavailability of iron. Analysis
ST:STUDY_SUMMARY                 	of human microbiota datasets reveals that Bacteroidaceae and Enterobacteriaceae
ST:STUDY_SUMMARY                 	are strongly correlated in undernourished children, but not in adequately
ST:STUDY_SUMMARY                 	nourished children, consistent with a diet-dependent growth synergy in the human
ST:STUDY_SUMMARY                 	gut. Together these data suggest that dietary cross-feeding fuels the overgrowth
ST:STUDY_SUMMARY                 	of pathobionts in undernutrition.
ST:INSTITUTE                     	University of British Columbia
ST:DEPARTMENT                    	Michael Smith Laboratories
ST:LAST_NAME                     	Huus
ST:FIRST_NAME                    	Kelsey
ST:ADDRESS                       	3125 East Mall
ST:EMAIL                         	khuus@msl.ubc.ca
ST:PHONE                         	+1-604-822-2210
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Bacteroides spp. and Escherichia spp. (mixed communities)
SU:TAXONOMY_ID                   	B. fragilis 3_1_12; B. vulgatus 3_1_40A; B. ovatus 3_8_47; B. dorei 5_1_36; P.
SU:TAXONOMY_ID                   	distasonis 2_1_33B; E. coli 3_1_53; E. coli 4_1_47
#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           	Bacteroidales_mix	01_B1-16h	Factor:16h	RAW_FILE_NAME=01_B1-16h.d; Replicate=1; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	02_B2-16h	Factor:16h	RAW_FILE_NAME=02_B2-16h.d; Replicate=2; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	03_B3-16h	Factor:16h	RAW_FILE_NAME=03_B3-16h.d; Replicate=3; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	04_BO1-16h	Factor:16h	RAW_FILE_NAME=04_BO1-16h.d; Replicate=1; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	05_BO2-16h	Factor:16h	RAW_FILE_NAME=05_BO2-16h.d; Replicate=2; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	06_BO3-16h	Factor:16h	RAW_FILE_NAME=06_BO3-16h.d; Replicate=3; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	E_coli	07_E1-16h	Factor:16h	RAW_FILE_NAME=07_E1-16h.d; Replicate=1; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	E_coli	08_E2-16h	Factor:16h	RAW_FILE_NAME=08_E2-16h.d; Replicate=2; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	E_coli	09_E3-16h	Factor:16h	RAW_FILE_NAME=09_E3-16h.d; Replicate=3; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	10_BE1-16h	Factor:16h	RAW_FILE_NAME=10_BE1-16h.d; Replicate=1; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	11_BE2-16h	Factor:16h	RAW_FILE_NAME=11_BE2-16h.d; Replicate=2; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	12_BE3-16h	Factor:16h	RAW_FILE_NAME=12_BE3-16h.d; Replicate=3; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	13_B1-24h	Factor:24h	RAW_FILE_NAME=13_B1-24h.d; Replicate=1; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	14_B2-24h	Factor:24h	RAW_FILE_NAME=14_B2-24h.d; Replicate=2; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	15_B3-24h	Factor:24h	RAW_FILE_NAME=15_B3-24h.d; Replicate=3; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	16_BO1-24h	Factor:24h	RAW_FILE_NAME=16_BO1-24h.d; Replicate=1; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	17_BO2-24h	Factor:24h	RAW_FILE_NAME=17_BO2-24h.d; Replicate=2; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	18_BO3-24h	Factor:24h	RAW_FILE_NAME=18_BO3-24h.d; Replicate=3; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	E_coli	19_E1-24h	Factor:24h	RAW_FILE_NAME=19_E1-24h.d; Replicate=1; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	E_coli	20_E2-24h	Factor:24h	RAW_FILE_NAME=20_E2-24h.d; Replicate=2; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	E_coli	21_E3-24h	Factor:24h	RAW_FILE_NAME=21_E3-24h.d; Replicate=3; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	22_BE1-24h	Factor:24h	RAW_FILE_NAME=22_BE1-24h.d; Replicate=1; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	23_BE2-24h	Factor:24h	RAW_FILE_NAME=23_BE2-24h.d; Replicate=2; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	24_BE3-24h	Factor:24h	RAW_FILE_NAME=24_BE3-24h.d; Replicate=3; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Blank	25_Blank1	Factor:0h	RAW_FILE_NAME=25_Blank1.d; Replicate=1; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Blank	26_Blank2	Factor:0h	RAW_FILE_NAME=26_Blank2.d; Replicate=2; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Blank	27_Blank3	Factor:0h	RAW_FILE_NAME=27_Blank3.d; Replicate=3; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Blank	28_Blank4	Factor:0h	RAW_FILE_NAME=28_Blank4.d; Replicate=4; Analyte=Sugars
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	B4_16h	Factor:16h	RAW_FILE_NAME=B4_16H_OK.d; Replicate=4; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	B5_16h	Factor:16h	RAW_FILE_NAME=B5_16H_3.d; Replicate=4; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	B6_16h	Factor:16h	RAW_FILE_NAME=B6_16H_3.d; Replicate=4; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	BO4_16h	Factor:16h	RAW_FILE_NAME=B04_16H_OK.d; Replicate=4; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	BO5_16h	Factor:16h	RAW_FILE_NAME=B05_16H_3.d; Replicate=4; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	BO6_16h	Factor:16h	RAW_FILE_NAME=B06_16H_3.d; Replicate=4; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	E_coli	E4_16h	Factor:16h	RAW_FILE_NAME=E4_16H_OK.d; Replicate=4; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	E_coli	E5_16h	Factor:16h	RAW_FILE_NAME=E5_16H_3.d; Replicate=4; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	E_coli	E6_16h	Factor:16h	RAW_FILE_NAME=E6_16H_3.d; Replicate=5; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	BE4_16h	Factor:16h	RAW_FILE_NAME=BE4_16H_OK.d; Replicate=5; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	BE5_16h	Factor:16h	RAW_FILE_NAME=BE5_16H_3.d; Replicate=5; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	BE6_16h	Factor:16h	RAW_FILE_NAME=BE6_16H_3.d; Replicate=5; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	B4_24h	Factor:24h	RAW_FILE_NAME=B4_24H.d; Replicate=5; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	B5_24h	Factor:24h	RAW_FILE_NAME=B5_24H_3.d; Replicate=5; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_mix	B6_24h	Factor:24h	RAW_FILE_NAME=B6_24H_3.d; Replicate=5; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	BO4_24h	Factor:24h	RAW_FILE_NAME=B04_24H.d; Replicate=5; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	BO5_24h	Factor:24h	RAW_FILE_NAME=B05_24H_3.d; Replicate=6; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroides_ovatus	BO6_24h	Factor:24h	RAW_FILE_NAME=B06_24H_3.d; Replicate=6; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	E_coli	E4_24h	Factor:24h	RAW_FILE_NAME=E4_24H.d; Replicate=6; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	E_coli	E5_24h	Factor:24h	RAW_FILE_NAME=E5_24H_3.d; Replicate=6; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	E_coli	E6_24h	Factor:24h	RAW_FILE_NAME=E6_16H_3.d; Replicate=6; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	BE4_24h	Factor:24h	RAW_FILE_NAME=BE4_24H.d; Replicate=6; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	BE5_24h	Factor:24h	RAW_FILE_NAME=BE5_24H_3.d; Replicate=6; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Bacteroidales_Ecoli_mix	BE6_24h	Factor:24h	RAW_FILE_NAME=BE6_24H_3.d; Replicate=5; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Blank	blank_media1	Factor:0h	RAW_FILE_NAME=blank_3.d; Replicate=4; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Blank	blank_media2	Factor:0h	RAW_FILE_NAME=blank2_3.d; Replicate=5; Analyte=SCFA
SUBJECT_SAMPLE_FACTORS           	Blank	blank_media3	Factor:0h	RAW_FILE_NAME=BLANK4_OK.d; Replicate=6; Analyte=SCFA
#COLLECTION
CO:COLLECTION_SUMMARY            	Bacteria were grown anaerobically at 37ºC in MAL-M medium. Culture supernatants
CO:COLLECTION_SUMMARY            	at 0, 16 and 24h were collected by centrifugation at 16000 g for 20 minutes.
CO:COLLECTION_SUMMARY            	Supernatants were filter sterilized at 0.22 µM and stored at -70ºC before
CO:COLLECTION_SUMMARY            	analysis.
CO:SAMPLE_TYPE                   	Bacterial cells
CO:STORAGE_CONDITIONS            	Described in summary
#TREATMENT
TR:TREATMENT_SUMMARY             	The groups differ by bacterial community composition as follows: B,
TR:TREATMENT_SUMMARY             	Bacteroidales mix (B. fragilis, B. vulgatus B. ovatus, B. dorei, P. distasonis);
TR:TREATMENT_SUMMARY             	E, E. coli mix (E. coli 3_1_53 and E. coli 4_1_47); BE, Bacteroidales-E.coli mix
TR:TREATMENT_SUMMARY             	(all seven strains as above); BO, B. ovatus only. Strains were inoculated in
TR:TREATMENT_SUMMARY             	equal proportions based on normalized O.D. from overnight input cultures.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Sugars Analysis Low molecular weight sugars and NAc-sugar amines were quantified
SP:SAMPLEPREP_SUMMARY            	by LC-MRM/MS at The Metabolomics Innovation Centre (TMIC) commercial service
SP:SAMPLEPREP_SUMMARY            	(University of Victoria , Genome BC Proteomics Centre), according to previously
SP:SAMPLEPREP_SUMMARY            	published UPLC-MRM/MS methods (Han et al 2016, Electrophoresis), with necessary
SP:SAMPLEPREP_SUMMARY            	modifications. In brief, a mixed stock solution of 13 low-MW sugars and 4
SP:SAMPLEPREP_SUMMARY            	N-acetyl sugar amines was prepared with the use of their standard substances in
SP:SAMPLEPREP_SUMMARY            	80% methanol at 500µM for each compound. This solution was then serially
SP:SAMPLEPREP_SUMMARY            	diluted with the same solvent to prepare calibration solutions in a
SP:SAMPLEPREP_SUMMARY            	concentration range of 0.002 to 125µM. For chemical derivatization, 20µL of
SP:SAMPLEPREP_SUMMARY            	each medium sample or each calibration solution was mixed in turn with 20µL of
SP:SAMPLEPREP_SUMMARY            	an internal standard solution containing 13C6-glucose, 13C6-mannose,
SP:SAMPLEPREP_SUMMARY            	13C6-fructose and 13C5-ribose in water, 40µL of 200-mM 3-nitrophenylhydrazine
SP:SAMPLEPREP_SUMMARY            	hydrochloride solution in 60% methanol and 40µL of 200-mM EDC.HCl solution
SP:SAMPLEPREP_SUMMARY            	prepared in a mixed solvent of methanol/water/pyridine (60:40:5, v/v/v). The
SP:SAMPLEPREP_SUMMARY            	mixture was allowed to react at 50ºC for 90 min. SCFA Analysis Quantification
SP:SAMPLEPREP_SUMMARY            	of short-chain fatty acids was performed in-house according to a method
SP:SAMPLEPREP_SUMMARY            	developed by Han et al., with minor modifications(Han et al 2015, Analytica
SP:SAMPLEPREP_SUMMARY            	Chimica Acta). Briefly, 500µL of supernatant were mixed with 500µL of 50 %
SP:SAMPLEPREP_SUMMARY            	acetonitrile, then the mixture was vortexed for 5 minutes and centrifuged at
SP:SAMPLEPREP_SUMMARY            	7000 x g for 5 minutes. 50 µL of the organic phase were derivatized adding
SP:SAMPLEPREP_SUMMARY            	20µL of 200mM 3NPH in 50 % acetonitrile and 20 µL 120 mM EDC solution of 6 %
SP:SAMPLEPREP_SUMMARY            	pyridine in 50 % acetonitrile. The mixture was left under agitation at 40ºC for
SP:SAMPLEPREP_SUMMARY            	30 minutes. After this time reaction was stopped adding 100 µL of 0.1 % formic
SP:SAMPLEPREP_SUMMARY            	acid in 90 % acetonitrile.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	SCFA Analysis
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1200
CH:COLUMN_NAME                   	Agilent Zorbax 300 C18 (250x4.6mm)
CH:METHODS_FILENAME              	methods_summary_ms.docx
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6460 QQQ
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	A collision energy of 10V was used for multiple reaction monitoring (MRM), and
MS:MS_COMMENTS                   	LC-MS/MS data were analysed by Mass Hunter Qualitative Analysis B.06.00 software
MS:MS_COMMENTS                   	(Agilent Technologies). The identification and quantification of the SCFAs were
MS:MS_COMMENTS                   	carried out based on the retention time and mass fragmentation pattern comparing
MS:MS_COMMENTS                   	with standards. Six-point calibration curves made by peak area vs concentration
MS:MS_COMMENTS                   	of the pure standards were used to quantify the different SCFA. The linearity of
MS:MS_COMMENTS                   	the curves was determined by the coefficient of determination (R2), being higher
MS:MS_COMMENTS                   	than 0.99 for all standards. Concentrations of the SCFAs were calculated by
MS:MS_COMMENTS                   	interpolating the calibration curves of individual compounds.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	µM
MS_METABOLITE_DATA_START
Samples	B4_16h	B4_24h	B5_16h	B5_24h	B6_16h	B6_24h	BE4_16h	BE4_24h	BE5_16h	BE5_24h	BE6_16h	BE6_24h	BO4_16h	BO4_24h	BO5_16h	BO5_24h	BO6_16h	BO6_24h	E4_16h	E4_24h	E5_16h	E5_24h	E6_16h	E6_24h
Factors	Factor:16h	Factor:24h	Factor:16h	Factor:24h	Factor:16h	Factor:24h	Factor:16h	Factor:24h	Factor:16h	Factor:24h	Factor:16h	Factor:24h	Factor:16h	Factor:24h	Factor:16h	Factor:24h	Factor:16h	Factor:24h	Factor:16h	Factor:24h	Factor:16h	Factor:24h	Factor:16h	Factor:24h
lactic acid	0.216319416	0.418668411	0.303744653	0.615087838	0.285882789	0.590861276	0.19137349	0.02518339	0.266537968	0.493279732	0.279849295	0.549332319	0.135810055	1.674187613	0.155498577	1.771797891	0.264811608	2.173965954	0.013144378	0.416259143	0.052295855	0.059590868	0.065745113	0.07129208
acetic acid	0.74411919	1.57920435	0.989406328	1.836486778	0.873085635	1.781273609	1.748542845	0.653692091	2.22383907	3.863670777	1.603206277	3.759617025	0.374867659	1.505910161	0.372199829	1.553801423	0.747727462	1.886878445	0.253109441	3.605446462	0.416802039	0.654555461	0.404385706	0.648794291
propionic acid	0.451605923	1.309627347	0.615456023	1.468421931	0.487008961	1.402489588	0.897122871	0.08918136	1.125763006	1.669607071	1.081934774	1.519170725	0.080765955	0.876525888	0.067346729	0.801903089	0.165274511	0.980996107	0.043658204	1.575518629	0.085026975	0.088498554	0.083639819	0.091203232
isobutiric acid	0.003129913	0.012125603	0.002337934	0.01180457	0.003095037	0.011102356	0.004731226	1.94364E-05	0.005269822	0.009056482	0.0048503	0.007587345	0	0.002299794	0.000249466	0.001521177	0	0.002200253	0	0.010210403	0	0.000236845	0	0.000168933
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
lactic acid
acetic acid
propionic acid
isobutiric acid
METABOLITES_END
#END