#METABOLOMICS WORKBENCH kk1109_20250910_122317 DATATRACK_ID:6415 STUDY_ID:ST004201 ANALYSIS_ID:AN006987 PROJECT_ID:PR002649
VERSION             	1
CREATED_ON             	September 18, 2025, 9:38 am
#PROJECT
PR:PROJECT_TITLE                 	In vivo exposure of mixed microplastic particles in mice and its impacts on the
PR:PROJECT_TITLE                 	murine gut microbiome and metabolome
PR:PROJECT_TYPE                  	MS quantitative analysis
PR:PROJECT_SUMMARY               	Microplastics (MPs) are emerging environmental contaminants due to increasing
PR:PROJECT_SUMMARY               	global plastic production and waste. Microplastics, defined as plastic particles
PR:PROJECT_SUMMARY               	less than 5 mm in diameter, are formed through degradation of larger plastics
PR:PROJECT_SUMMARY               	via sunlight, weathering, and microbes. These plastic compounds are widely
PR:PROJECT_SUMMARY               	detected in water, soil, food, as well as human stool and blood. The gut
PR:PROJECT_SUMMARY               	microbiome, often referred to as our second genome, is important in human health
PR:PROJECT_SUMMARY               	and is the primary point of contact for orally ingested microplastics. To
PR:PROJECT_SUMMARY               	investigate the impact of ingested MPs on the gut microbiome and the metabolome,
PR:PROJECT_SUMMARY               	8-week-old male and female C57/BL6 mice were orally gavaged mixed plastic (5
PR:PROJECT_SUMMARY               	µm) exposure consisting of polystyrene, polyethylene, and the
PR:PROJECT_SUMMARY               	biodegradable/biocompatible plastic, poly(lactic-co-glycolic acid), twice a week
PR:PROJECT_SUMMARY               	for 4 weeks at 0, 2, or 4 mg/week (n = 8/group). Fecal pellets were collected
PR:PROJECT_SUMMARY               	for bacterial DNA extraction and metagenomic shotgun sequencing, and serum was
PR:PROJECT_SUMMARY               	subjected to targeted and untargeted metabolomics. A total of 1162 bacterial
PR:PROJECT_SUMMARY               	species and 1205 metabolites were evaluated for downstream analysis. MPs
PR:PROJECT_SUMMARY               	exposure resulted in significant sex-specific and dose-dependent changes to the
PR:PROJECT_SUMMARY               	gut microbiome composition along with substantial regulation of predicted
PR:PROJECT_SUMMARY               	metabolic pathways. Untargeted metabolomics in serum showed that a low MPs dose
PR:PROJECT_SUMMARY               	displayed a more prominent effect on key metabolic pathways such as amino acid
PR:PROJECT_SUMMARY               	metabolism, mitochondrial function, and inflammation. Additionally,
PR:PROJECT_SUMMARY               	SCFA-targeted metabolomics showed significant changes in neuroprotective SCFAs
PR:PROJECT_SUMMARY               	levels in both sexes. Our study demonstrates that microplastics dysregulate the
PR:PROJECT_SUMMARY               	gut microbiome and serum metabolome, highlighting potential human disease risks.
PR:INSTITUTE                     	University of Washington
PR:DEPARTMENT                    	Environmental and Occupational Health Science
PR:LABORATORY                    	Cui Lab
PR:LAST_NAME                     	Kim
PR:FIRST_NAME                    	Kyle
PR:ADDRESS                       	3150 Stephanie Loop Northeast
PR:EMAIL                         	kk1109@uw.edu
PR:PHONE                         	3606883268
#STUDY
ST:STUDY_TITLE                   	SCFA quantification of blood serum in microplastic exposed mice - Targeted GC/MS
ST:STUDY_TYPE                    	in vivo
ST:STUDY_SUMMARY                 	To investigate the impact of ingested MPs on the gut microbiome and the
ST:STUDY_SUMMARY                 	metabolome, 8-week-old male and female C57/BL6 mice were orally gavaged mixed
ST:STUDY_SUMMARY                 	plastic (5 µm) exposure consisting of polystyrene, polyethylene, and the
ST:STUDY_SUMMARY                 	biodegradable/biocompatible plastic, poly(lactic-co-glycolic acid), twice a week
ST:STUDY_SUMMARY                 	for 4 weeks at 0, 2, or 4 mg/week (n = 8/group). Fecal pellets were collected
ST:STUDY_SUMMARY                 	for bacterial DNA extraction and metagenomic shotgun sequencing, and serum was
ST:STUDY_SUMMARY                 	subjected to targeted and untargeted metabolomics. A total of 1162 bacterial
ST:STUDY_SUMMARY                 	species and 1205 metabolites were evaluated for downstream analysis. MPs
ST:STUDY_SUMMARY                 	exposure resulted in significant sex-specific and dose-dependent changes to the
ST:STUDY_SUMMARY                 	gut microbiome composition along with substantial regulation of predicted
ST:STUDY_SUMMARY                 	metabolic pathways. Untargeted metabolomics in serum showed that a low MPs dose
ST:STUDY_SUMMARY                 	displayed a more prominent effect on key metabolic pathways such as amino acid
ST:STUDY_SUMMARY                 	metabolism, mitochondrial function, and inflammation. Additionally,
ST:STUDY_SUMMARY                 	SCFA-targeted metabolomics showed significant changes in neuroprotective SCFAs
ST:STUDY_SUMMARY                 	levels in both sexes. Our study demonstrates that microplastics dysregulate the
ST:STUDY_SUMMARY                 	gut microbiome and serum metabolome, highlighting potential human disease risks.
ST:INSTITUTE                     	University of Washington
ST:DEPARTMENT                    	Environmental and Occupational Health Science
ST:LABORATORY                    	Cui Lab
ST:LAST_NAME                     	Kim
ST:FIRST_NAME                    	Kyle
ST:ADDRESS                       	3150 Stephanie Loop Northeast
ST:EMAIL                         	kk1109@uw.edu
ST:PHONE                         	3606883268
ST:NUM_GROUPS                    	6
ST:TOTAL_SUBJECTS                	24
ST:NUM_MALES                     	12
ST:NUM_FEMALES                   	12
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:AGE_OR_AGE_RANGE              	8-12 weeks
SU:GENDER                        	Male and female
SU:ANIMAL_ANIMAL_SUPPLIER        	Taconic Biosciences
SU:ANIMAL_HOUSING                	Temperature (20–24°C) and humidity (30%–60%)
SU:ANIMAL_LIGHT_CYCLE            	12-h light/dark cycle
SU:ANIMAL_FEED                   	ad libitum
SU:ANIMAL_WATER                  	ad libitum
SU:SPECIES_GROUP                 	C57BL/6
#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           	-	STD_1	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_1.D
SUBJECT_SAMPLE_FACTORS           	-	STD_2	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_2.D
SUBJECT_SAMPLE_FACTORS           	-	STD_3	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_3.D
SUBJECT_SAMPLE_FACTORS           	-	STD_4	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_4.D
SUBJECT_SAMPLE_FACTORS           	-	STD_5	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_5.D
SUBJECT_SAMPLE_FACTORS           	-	STD_6	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_6.D
SUBJECT_SAMPLE_FACTORS           	-	STD_7	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_7.D
SUBJECT_SAMPLE_FACTORS           	-	STD_8	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_8.D
SUBJECT_SAMPLE_FACTORS           	-	STD_9	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_9.D
SUBJECT_SAMPLE_FACTORS           	-	STD_10	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_10.D
SUBJECT_SAMPLE_FACTORS           	-	STD_11	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=STD_11.D
SUBJECT_SAMPLE_FACTORS           	-	Serum_QC_1	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=Serum_QC_1.D
SUBJECT_SAMPLE_FACTORS           	-	Serum_QC_2	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=Serum_QC_2.D
SUBJECT_SAMPLE_FACTORS           	-	Serum_QC_3	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=Serum_QC_3.D
SUBJECT_SAMPLE_FACTORS           	-	Serum_QC_4	Sample source:Serum | Sex:NA | Treatment:NA	RAW_FILE_NAME(Raw file name)=Serum_QC_4.D
SUBJECT_SAMPLE_FACTORS           	-	FLOW1	Sample source:Serum | Sex:Female | Treatment:Low_MPs	RAW_FILE_NAME(Raw file name)=Serum_1.D
SUBJECT_SAMPLE_FACTORS           	-	FLOW2	Sample source:Serum | Sex:Female | Treatment:Low_MPs	RAW_FILE_NAME(Raw file name)=Serum_2.D
SUBJECT_SAMPLE_FACTORS           	-	FLOW3	Sample source:Serum | Sex:Female | Treatment:Low_MPs	RAW_FILE_NAME(Raw file name)=Serum_3.D
SUBJECT_SAMPLE_FACTORS           	-	FLOW4	Sample source:Serum | Sex:Female | Treatment:Low_MPs	RAW_FILE_NAME(Raw file name)=Serum_4.D
SUBJECT_SAMPLE_FACTORS           	-	MLOW1	Sample source:Serum | Sex:Male | Treatment:Low_MPs	RAW_FILE_NAME(Raw file name)=Serum_5.D
SUBJECT_SAMPLE_FACTORS           	-	MLOW2	Sample source:Serum | Sex:Male | Treatment:Low_MPs	RAW_FILE_NAME(Raw file name)=Serum_6.D
SUBJECT_SAMPLE_FACTORS           	-	MLOW3	Sample source:Serum | Sex:Male | Treatment:Low_MPs	RAW_FILE_NAME(Raw file name)=Serum_7.D
SUBJECT_SAMPLE_FACTORS           	-	MLOW4	Sample source:Serum | Sex:Male | Treatment:Low_MPs	RAW_FILE_NAME(Raw file name)=Serum_8.D
SUBJECT_SAMPLE_FACTORS           	-	FHIGH1	Sample source:Serum | Sex:Female | Treatment:High_MPs	RAW_FILE_NAME(Raw file name)=Serum_9.D
SUBJECT_SAMPLE_FACTORS           	-	FHIGH2	Sample source:Serum | Sex:Female | Treatment:High_MPs	RAW_FILE_NAME(Raw file name)=Serum_10.D
SUBJECT_SAMPLE_FACTORS           	-	FHIGH3	Sample source:Serum | Sex:Female | Treatment:High_MPs	RAW_FILE_NAME(Raw file name)=Serum_11.D
SUBJECT_SAMPLE_FACTORS           	-	FHIGH4	Sample source:Serum | Sex:Female | Treatment:High_MPs	RAW_FILE_NAME(Raw file name)=Serum_12.D
SUBJECT_SAMPLE_FACTORS           	-	MHIGH1	Sample source:Serum | Sex:Male | Treatment:High_MPs	RAW_FILE_NAME(Raw file name)=Serum_13.D
SUBJECT_SAMPLE_FACTORS           	-	MHIGH2	Sample source:Serum | Sex:Male | Treatment:High_MPs	RAW_FILE_NAME(Raw file name)=Serum_14.D
SUBJECT_SAMPLE_FACTORS           	-	MHIGH3	Sample source:Serum | Sex:Male | Treatment:High_MPs	RAW_FILE_NAME(Raw file name)=Serum_15.D
SUBJECT_SAMPLE_FACTORS           	-	MHIGH4	Sample source:Serum | Sex:Male | Treatment:High_MPs	RAW_FILE_NAME(Raw file name)=Serum_16.D
SUBJECT_SAMPLE_FACTORS           	-	FCTRL1	Sample source:Serum | Sex:Female | Treatment:Control	RAW_FILE_NAME(Raw file name)=Serum_17.D
SUBJECT_SAMPLE_FACTORS           	-	FCTRL2	Sample source:Serum | Sex:Female | Treatment:Control	RAW_FILE_NAME(Raw file name)=Serum_18.D
SUBJECT_SAMPLE_FACTORS           	-	FCTRL3	Sample source:Serum | Sex:Female | Treatment:Control	RAW_FILE_NAME(Raw file name)=Serum_19.D
SUBJECT_SAMPLE_FACTORS           	-	FCTRL4	Sample source:Serum | Sex:Female | Treatment:Control	RAW_FILE_NAME(Raw file name)=Serum_20.D
SUBJECT_SAMPLE_FACTORS           	-	MCTRL1	Sample source:Serum | Sex:Male | Treatment:Control	RAW_FILE_NAME(Raw file name)=Serum_21.D
SUBJECT_SAMPLE_FACTORS           	-	MCTRL2	Sample source:Serum | Sex:Male | Treatment:Control	RAW_FILE_NAME(Raw file name)=Serum_22.D
SUBJECT_SAMPLE_FACTORS           	-	MCTRL3	Sample source:Serum | Sex:Male | Treatment:Control	RAW_FILE_NAME(Raw file name)=Serum_23.D
SUBJECT_SAMPLE_FACTORS           	-	MCTRL4	Sample source:Serum | Sex:Male | Treatment:Control	RAW_FILE_NAME(Raw file name)=Serum_24.D
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood was collected via cardiac puncture and samples were spun and separated for
CO:COLLECTION_SUMMARY            	serum. Frozen serum samples were first thawed overnight under 4oC, and 50 μL of
CO:COLLECTION_SUMMARY            	each sample was placed in a 2 mL Eppendorf vial prior to metabolomic analysis
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	8-week-old male and female C57/BL6 mice were orally gavaged mixed plastic (5
TR:TREATMENT_SUMMARY             	µm) exposure consisting of polystyrene, polyethylene, and the
TR:TREATMENT_SUMMARY             	biodegradable/biocompatible plastic, poly(lactic-co-glycolic acid), twice a week
TR:TREATMENT_SUMMARY             	for 4 weeks at 0, 2, or 4 mg/week (n = 8/group).
TR:TREATMENT                     	in vivo oral ingestion
TR:TREATMENT_COMPOUND            	mixed microplastics (polystyrene, polyethylene, poly lactic-co glycolic acid)
TR:TREATMENT_ROUTE               	gastric oral gavage
TR:TREATMENT_DOSE                	0mg/wk, 2mg/wk, 4mg/wk
TR:TREATMENT_DOSEVOLUME          	100 ul of 10mg/ml twice a week for 2mg/wk and 200ul of 10mg/ml twice a week for
TR:TREATMENT_DOSEVOLUME          	4mg/wk
TR:TREATMENT_DOSEDURATION        	4 weeks
TR:TREATMENT_VEHICLE             	water
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For serum samples, 20 μL of each sample was mixed with 30 μL aqueous NaOH
SP:SAMPLEPREP_SUMMARY            	(0.1M in water), 20 μL IS (hexanoic acid-6,6,6-d3; 200 µM) and 430 μL MeOH in
SP:SAMPLEPREP_SUMMARY            	a 1.5 mL Eppendorf tube. The pH value for the mixture was 9. Samples were then
SP:SAMPLEPREP_SUMMARY            	vortexed for 10 s and stored at -20 ºC for 20 min. After centrifugation at
SP:SAMPLEPREP_SUMMARY            	14,000 RPM for 10 min at 4 ºC, 450 μL supernatant was removed into a new
SP:SAMPLEPREP_SUMMARY            	Eppendorf tube. The samples were dried under vacuum at 37 ºC for 120 min using
SP:SAMPLEPREP_SUMMARY            	a CentriVap Concentrator (Labconco, Fort Scott, KS). Each sample was first
SP:SAMPLEPREP_SUMMARY            	derivatized with 40 µL of methoxyamine hydrochloride solution in pyridine
SP:SAMPLEPREP_SUMMARY            	(MeOX, 20 mg/mL) under 60 ℃ for 90 min. Next, 60 µL of MTBSTFA was added, and
SP:SAMPLEPREP_SUMMARY            	the mixture was incubated under 60 ℃ for 30 min. Then the sample was vortexed
SP:SAMPLEPREP_SUMMARY            	for 30 s, followed by centrifugation at 14,000 rpm for 10 min. Finally, 70 µL
SP:SAMPLEPREP_SUMMARY            	supernatant was collected into a new glass vial for GC-MS analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	GC-MS experiments were performed using an Agilent 7820A gas chromatography
CH:CHROMATOGRAPHY_SUMMARY        	system coupled to an Agilent 5977B mass spectrometer (Agilent Technologies,
CH:CHROMATOGRAPHY_SUMMARY        	Santa Clara, CA). Chemical derivatives in the samples were separated using an
CH:CHROMATOGRAPHY_SUMMARY        	HP-5 ms capillary column coated with 5% phenyl-95% methylpolysiloxane (30 m×250
CH:CHROMATOGRAPHY_SUMMARY        	µm i.d., 0.25 µm film thickness, Agilent Technologies). 1 µL of each sample
CH:CHROMATOGRAPHY_SUMMARY        	was injected, and the solvent delay time was set to 5 min. The initial oven
CH:CHROMATOGRAPHY_SUMMARY        	temperature was held at 60 ℃ for 1 min, ramped up to 325 ℃ at a rate of 10
CH:CHROMATOGRAPHY_SUMMARY        	℃/min, and finally held at 325 ℃ for 10 min. Helium was used as the carrier
CH:CHROMATOGRAPHY_SUMMARY        	gas at a constant flow rate of 20 mL/min through the column.
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7820A
CH:COLUMN_NAME                   	Agilent HP5-MS (30m x 0.25mm, 0.25 um)
CH:SOLVENT_A                     	N/A
CH:SOLVENT_B                     	N/A
CH:FLOW_GRADIENT                 	N/A
CH:FLOW_RATE                     	20 mL/min
CH:COLUMN_TEMPERATURE            	The initial oven temperature was held at 60 ℃ for 1 min, ramped up to 325 ℃
CH:COLUMN_TEMPERATURE            	at a rate of 10 ℃/min, and finally held at 325 ℃ for 10 min
CH:INJECTION_TEMPERATURE         	60 ℃
CH:OVEN_TEMPERATURE              	60 ℃ for 1 min, ramped up to 325 ℃ at a rate of 10 ℃/min, held at 325 ℃
CH:OVEN_TEMPERATURE              	for 10 min
CH:CHROMATOGRAPHY_COMMENTS       	The temperatures of the front inlet, transfer line, and electron impact (EI) ion
CH:CHROMATOGRAPHY_COMMENTS       	source were set at 250 ℃, 290 ℃, and 230 ℃, respectively
#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                   	The temperatures of the front inlet, transfer line, and electron impact (EI) ion
MS:MS_COMMENTS                   	source were set at 250 ℃, 290 ℃, and 230 ℃, respectively. The electron
MS:MS_COMMENTS                   	energy was -70 eV, and the mass spectral data were collected in the full scan
MS:MS_COMMENTS                   	mode (m/z 30-600). Agilent MassHunter Workstation Software Quantitative Analysis
MS:MS_COMMENTS                   	(B.09.00) was used to process the GC-MS data for compound identification, peak
MS:MS_COMMENTS                   	picking, and quantification. The signal-to-noise ratio (S/N) was set to S/N=3.
MS:MS_COMMENTS                   	The retention time and quantification mass for each SCFA were determined using
MS:MS_COMMENTS                   	its chemical standard. The concentrations of SCFAs in biological samples were
MS:MS_COMMENTS                   	calculated using the calibration curves constructed from the corresponding SCFA
MS:MS_COMMENTS                   	standards.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Relative abundance
MS_METABOLITE_DATA_START
Samples	STD_1	STD_2	STD_3	STD_4	STD_5	STD_6	STD_7	STD_8	STD_9	STD_10	STD_11	Serum_QC_1	Serum_QC_2	Serum_QC_3	Serum_QC_4	FLOW1	FLOW2	FLOW3	FLOW4	MLOW1	MLOW2	MLOW3	MLOW4	FHIGH1	FHIGH2	FHIGH3	FHIGH4	MHIGH1	MHIGH2	MHIGH3	MHIGH4	FCTRL1	FCTRL2	FCTRL3	FCTRL4	MCTRL1	MCTRL2	MCTRL3	MCTRL4
Factors	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:NA | Treatment:NA	Sample source:Serum | Sex:Female | Treatment:Low_MPs	Sample source:Serum | Sex:Female | Treatment:Low_MPs	Sample source:Serum | Sex:Female | Treatment:Low_MPs	Sample source:Serum | Sex:Female | Treatment:Low_MPs	Sample source:Serum | Sex:Male | Treatment:Low_MPs	Sample source:Serum | Sex:Male | Treatment:Low_MPs	Sample source:Serum | Sex:Male | Treatment:Low_MPs	Sample source:Serum | Sex:Male | Treatment:Low_MPs	Sample source:Serum | Sex:Female | Treatment:High_MPs	Sample source:Serum | Sex:Female | Treatment:High_MPs	Sample source:Serum | Sex:Female | Treatment:High_MPs	Sample source:Serum | Sex:Female | Treatment:High_MPs	Sample source:Serum | Sex:Male | Treatment:High_MPs	Sample source:Serum | Sex:Male | Treatment:High_MPs	Sample source:Serum | Sex:Male | Treatment:High_MPs	Sample source:Serum | Sex:Male | Treatment:High_MPs	Sample source:Serum | Sex:Female | Treatment:Control	Sample source:Serum | Sex:Female | Treatment:Control	Sample source:Serum | Sex:Female | Treatment:Control	Sample source:Serum | Sex:Female | Treatment:Control	Sample source:Serum | Sex:Male | Treatment:Control	Sample source:Serum | Sex:Male | Treatment:Control	Sample source:Serum | Sex:Male | Treatment:Control	Sample source:Serum | Sex:Male | Treatment:Control
Acetic acid	1065436	318870	141003	125624	115507	118193	123300	112269	122377	118872	125573	212099	626719	913907	642744	371086	258917	351641	275037	521957	498697	275563	267360	306853	367194	302512	403705	608147	782891	639270	801549	713343	816514	1196424	869215	1024292	1196197	1018667	938642
Propionic acid	301668	87748	103434	31570	26759	33708	23571	22952	21590	22713	19222	76664	31691	35103	45807	29601	30194	36611	37188	39586	34250	42305	42741	40965	50208	50352	53280	26155	23833	23943	23419	26929	27143	28915	31015	24205	26027	28459	29647
Isobutyric acid	327679	342106	286981	313645	324073	322391	293503	301649	286938	289864	282573	359423	251108	263901	322853	325969	322905	346134	355853	356719	356802	372462	385791	375926	362980	357620	352559	258028	264650	251112	255058	252404	266140	259918	262722	274906	277952	285961	297848
Butyric acid	973457	216420	45810	25354	23625	18902	16988	13844	14289	14530	12798	19772	13194	15651	16845	22457	17631	20535	33589	19989	20887	19455	21938	21557	18715	20833	22295	15872	17143	14612	18091	15577	16385	16384	17237	16272	16704	18761	18011
Isovaleric acid	763187	165921	21797	8294	8138	4835	3033	2702	1407	1622	1222	2663	2055	2416	1845	1868	2345	1832	2700	2352	2287	2420	2760	2580	2402	2448	3607	1758	175001	1314	1709	1594	1883	1900	2062	1759	2125	2097	1757
2-Methylbutyric acid	798833	166236	18277	6492	7139	4582	2274	2558	1732	1716	1318	1740	1760	2023	1885	1884	2123	2341	2634	2215	2045	2338	1644	2177	2232	1940	2949	1893	1728	1802	1914	1968	2286	1759	2387	2193	2017	2447	1970
Valeric acid	226332	62369	11180	4683	3720	2912	1718	1895	1506	1567	1834	2108	2422	2847	2349	1964	2726	2636	2328	2350	2711	2108	2324	2724	2733	2898	2330	1698	1904	2073	1694	2166	2589	2673	2305	1854	2586	1956	2619
2-Methylpentaboic acid	611843	131319	14255	3836	4546	2230	545	739	550	447	305	807	321	595	579	536	284	487	610	606	552	554	628	769	868	1028	890	381	466	313	294	516	311	509	350	423	452	627	710
3-Methylpentanoic acid	567156	115256	11426	3385	3846	1721	228	723	262	157	133	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
4-Methylpentanoic acid	523240	115457	17930	6112	3590	1558	530	682	436	316	242	182	410	352	273	390	280	439	273	227	289	244	283	220	198	234	274	482	487	432	356	479	480	368	220	280	315	328	380
Caproic acid	406030	91771	16762	8590	5573	3286	4017	3548	2736	2909	3229	1839	3938	3771	2604	2980	3979	3162	2262	2483	2482	2024	2355	2714	2172	2502	2686	4120	3657	4077	4009	5238	4020	4201	4213	3943	4362	3806	4681
2-Methylhexanoic acid	215086	49748	11739	8208	8806	8277	8143	8182	8911	8022	8376	3763	9659	9399	7743	5786	5631	8382	5612	6569	5254	5866	5400	4980	4653	4973	4751	9435	11128	10798	10408	9676	10895	11557	10796	8730	10598	11305	10150
4-Methylhexanoic acid	153791	33156	4868	1646	1119	542	140	140	74	71	116	124	26	65	118	90	12	46	11	6	29	32	35	67	49	72	65	98	8	59	72	91	23	81	69	124	20	73	41
Heptanoic acid	184901	41344	7514	3725	2562	1265	1097	1017	684	727	1029	418	892	1085	958	762	813	688	421	479	633	315	372	507	414	461	618	969	831	1035	946	1245	1213	1060	801	1001	1283	1320	914
Hexanoic acid-6,6,6-D3	146469	140020	93882	83321	74067	65847	48039	74476	64199	73825	63942	65668	148831	134524	107328	96412	87645	89789	87693	94478	81983	80839	79336	71002	77402	75644	74520	145799	155578	141015	150455	153136	149478	146543	148791	145144	144481	149178	142997
Octanoic acid	1481	1107	1791	1254	1745	1077	1440	1815	1187	1209	1533	1981	3693	3709	2659	3175	2868	2788	2178	3250	2096	1794	2140	2509	2661	2939	2186	3477	3255	3192	3323	3625	3222	3699	2393	3391	3691	4622	3650
Lactate	7277	18311	8973	4218	5967	12148	6205	6897	11677	4623	8608	627216	1951032	1621855	1287874	1525762	1040131	1077153	934854	1435747	998770	827639	945888	1261163	1460682	1117198	861730	1076509	1843632	1476009	1814451	1655597	1448105	1557310	846440	1883767	1767400	1642277	2059374
Nonanoic acid	5427	3764	4820	7429	3196	5351	8288	5388	3235	4186	11940	1374	6336	5556	4044	2232	4290	4344	3798	1988	4441	1349	1150	3225	2248	1874	1664	7015	6109	3365	6389	7736	12304	2759	2387	3647	7058	4567	5495
Capric acid	865	1034	696	842	1109	1019	1102	880	1003	1049	737	339	1006	1128	737	923	834	540	790	823	503	421	608	461	470	522	451	1245	1066	816	1286	1410	967	1075	1100	1405	931	2607	1193
Succinate	556	385	258	450	210	395	496	735	400	406	517	2606	13719	11063	7609	18028	13832	18207	11210	6570	3139	9477	3386	3708	3023	3563	2270	9827	6392	7295	6999	7521	5884	6911	2775	6430	5481	4913	8970
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Acetic acid
Propionic acid
Isobutyric acid
Butyric acid
Isovaleric acid
2-Methylbutyric acid
Valeric acid
2-Methylpentaboic acid
3-Methylpentanoic acid
4-Methylpentanoic acid
Caproic acid
Hexanoic acid-6,6,6-D3
2-Methylhexanoic acid
4-Methylhexanoic acid
Heptanoic acid
Octanoic acid
Lactate
Nonanoic acid
Capric acid
Succinate
METABOLITES_END
#END