#METABOLOMICS WORKBENCH STUDY_ID:ST000218 ANALYSIS_ID:AN000322 PROJECT_ID:PR000160
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Hirschprung Associated Enterocolitis Studies
PR:PROJECT_SUMMARY               	Assess for correlations between SCFA content and history of HAEC
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	Surgery
PR:LABORATORY                    	Teitelbaum Lab
PR:LAST_NAME                     	Teitelbaum
PR:FIRST_NAME                    	Daniel
PR:ADDRESS                       	Ann Arbor, MI
PR:EMAIL                         	dttbm@umich.edu
PR:PHONE                         	734-936-8464
#STUDY
ST:STUDY_TITLE                   	Role of Microbiome in Psoriatic Arthritis (SCFA in PsA)
ST:STUDY_SUMMARY                 	To investigate associations of gut and skin microbiota diversity with psoriatic
ST:STUDY_SUMMARY                 	pathogenesis.Characterize the abundance and diversity of gut microbiota in
ST:STUDY_SUMMARY                 	with never-treated, new-onset psoriatic arthritis (PsA). Methods:
ST:STUDY_SUMMARY                 	16s rRNA pyrosequencing was utilized to compare the community composition of
ST:STUDY_SUMMARY                 	microbiota in PsA patients, psoriasis patients and healthy, matched controls.
ST:STUDY_SUMMARY                 	from patients with PsA, psoriasis of the skin (Ps), new-onset rheumatoid
ST:STUDY_SUMMARY                 	(NORA) and healthy controls were assessed for the presence and levels of fecal
ST:STUDY_SUMMARY                 	immunoglobulin A (sIgA) and various proteins and pro-inflammatory cytokines
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Biomedical Research Core Facilities
ST:LABORATORY                    	Metabolomics core
ST:LAST_NAME                     	Kachman
ST:FIRST_NAME                    	Maureen
ST:ADDRESS                       	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL                         	mkachman@umich.edu
ST:PHONE                         	-
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	89
#SUBJECT
SU:SUBJECT_TYPE                  	-
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013304	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013305	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013306	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013307	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013308	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013309	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013310	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013311	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013312	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013313	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013314	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013315	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013316	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013317	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013318	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003064	S00013319	Disease Group:HLT	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013368	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013369	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013370	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013371	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013372	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013373	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013374	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013375	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013376	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013377	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013378	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013379	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013380	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013381	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013382	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013383	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013384	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013385	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013386	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013387	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013388	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013389	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013390	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013391	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003067	S00013392	Disease Group:NORA	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013344	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013345	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013346	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013347	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013348	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013349	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013350	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013351	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013352	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013353	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013354	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013355	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013356	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013357	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013358	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013359	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013360	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013361	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013362	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013363	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013364	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013365	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013366	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003066	S00013367	Disease Group:Ps	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013320	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013321	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013322	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013323	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013324	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013325	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013326	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013327	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013328	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013329	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013330	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013331	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013332	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013333	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013334	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013335	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013336	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013337	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013338	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013339	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013340	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013341	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013342	Disease Group:PsA	
SUBJECT_SAMPLE_FACTORS           	SU0003065	S00013343	Disease Group:PsA	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:SAMPLE_TYPE                   	Feces
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_FILENAME  	SCFA_analysis_protocol-2015-03-10.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	Phenomenex Zebron ZB-WAXplus (30m x 0.25mm, 0.25um)
CH:METHODS_ID                    	AQM030
CH:METHODS_FILENAME              	WAXPLUS_100-200C_2_SIM.M.txt
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	MRC2 (University of Michigan)
AN:ACQUISITION_PARAMETERS_FILE   	WAXPLUS_100-200C_2_SIM.M.txt
AN:PROCESSING_PARAMETERS_FILE    	EX00263-SCFA-Quant-methods.m.zip
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 5975C
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	pmol/mg sample dry weight
MS_METABOLITE_DATA_START
Samples	S00013304	S00013305	S00013306	S00013307	S00013308	S00013309	S00013310	S00013311	S00013312	S00013313	S00013314	S00013315	S00013316	S00013317	S00013318	S00013319	S00013368	S00013369	S00013370	S00013371	S00013372	S00013373	S00013374	S00013375	S00013376	S00013377	S00013378	S00013379	S00013380	S00013381	S00013382	S00013383	S00013384	S00013385	S00013386	S00013387	S00013388	S00013389	S00013390	S00013391	S00013392	S00013344	S00013345	S00013346	S00013347	S00013348	S00013349	S00013350	S00013351	S00013352	S00013353	S00013354	S00013355	S00013356	S00013357	S00013358	S00013359	S00013360	S00013361	S00013362	S00013363	S00013364	S00013365	S00013366	S00013367	S00013320	S00013321	S00013322	S00013323	S00013324	S00013325	S00013326	S00013327	S00013328	S00013329	S00013330	S00013331	S00013332	S00013333	S00013334	S00013335	S00013336	S00013337	S00013338	S00013339	S00013340	S00013341	S00013342	S00013343
Factors	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:HLT	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:NORA	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:Ps	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA	Disease Group:PsA
aceticacid	485.8121	30.9495	154.5307	84.4410	0.0000	0.0000	18.2367	0.0000	202.0687	96.7060	379.8548	0.0000	112.5298	76.7306	141.6080	100.5519	218.3577	0.0000	159.4855	248.5583	5.8793	0.0000	60.6653	51.0590	180.7168	170.1919	90.8415	2.2725	13.8202	311.2566	0.0000	370.4324	166.0314	0.0000	457.9286	277.6553	170.0613	146.0327	0.0000	1302.1429	35.8816	47.9068	18.5173	0.0000	13.1311	9.5990	119.3355	343.9676	16.2479	0.0000	0.0000	228.8735	172.7757	46.4288	50.9812	0.0000	0.0000	15.1007	135.3376	192.2374	102.1957	94.4385	0.0000	289.6119	201.0317	0.0000	0.0000	91.4613	38.6704	69.0724	140.5229	70.7629	270.3362	81.3353	58.2815	0.0000	0.0000	322.9506	47.2530	163.2265	402.6071	0.0000	0.3619	88.2690	4.9352	119.1489	31.3365	0.0000	13.2114
butyricacid	306.8418	19.3686	69.2235	35.1952	23.5674	12.9523	35.7714	15.1520	71.5117	43.7864	395.9516	31.1175	108.7432	83.1490	58.2880	40.4221	232.8954	158.2187	154.0290	317.9550	35.3828	87.6865	121.9121	209.8438	175.3097	47.5000	90.2131	83.0715	49.1180	211.5841	41.9000	193.9679	206.6502	105.1221	220.0000	173.4870	86.5337	245.7872	39.1099	700.2857	168.6028	46.1310	45.7949	9.8080	52.2476	62.3937	31.9771	199.7784	51.9530	112.1646	64.9131	122.1146	125.6776	50.4087	60.2495	30.6154	30.2344	39.2170	46.5442	63.0898	50.2726	57.6655	23.7034	280.6921	218.1144	18.1125	15.9418	12.6218	42.9900	58.3620	159.1347	88.4412	153.2500	44.3832	46.3126	33.4307	41.3317	154.2504	123.5179	139.1521	164.4018	83.7916	89.3482	65.6232	33.5680	118.0979	83.7736	13.1835	15.0542
heptanoicacid	50.4406	52.6848	52.0307	35.7542	56.1872	20.4899	42.3429	13.4515	44.9037	73.7240	98.1935	38.4771	33.1419	19.8406	64.6880	66.4042	45.1095	18.1137	44.2174	81.3190	30.4793	0.0000	25.8159	105.6250	53.9469	40.6120	74.9454	16.7849	42.5716	54.1947	20.0903	68.6123	50.8993	33.6730	171.2000	153.3467	64.5501	62.7834	12.3101	434.5714	20.3992	20.5165	7.3725	32.6501	24.9145	18.9642	33.1318	33.0378	5.9641	16.6334	13.8804	40.3887	28.7009	16.2047	21.6852	72.3681	73.9134	27.9670	30.2681	46.3014	29.6933	36.1584	19.0392	39.3984	0.0000	0.0000	16.8892	43.7536	37.9775	459.9367	23.2919	20.2378	0.0000	44.0639	64.2660	24.7445	38.2601	0.0000	21.3840	19.8447	38.4509	19.4981	10.5009	22.3397	8.3302	42.8468	36.6792	22.0791	30.7724
hexanoicacid	140.0478	40.6501	7.1160	20.3682	25.1370	3.6872	38.1184	1.9449	33.8987	72.7739	13.1129	16.3565	6.0238	4.0501	71.0400	49.0179	35.2616	5.7522	5.9348	76.8916	18.6414	5.2108	10.0544	13.2986	7.8850	20.5757	78.0710	3.2503	20.1833	11.6549	3.5258	57.1060	7.4175	16.0350	247.4857	149.4188	15.3067	82.3048	1.9158	57.2857	3.7492	2.6604	1.2037	13.2647	3.8966	17.2145	3.8725	7.7081	2.0667	8.4738	6.6991	9.0711	7.5467	19.1717	39.7335	32.3132	29.8332	5.5220	5.1440	5.4338	3.7926	4.5331	3.1810	6.9146	4.5363	3.2324	2.6981	6.1891	5.3683	565.0407	6.7871	4.0786	7.4741	7.3657	22.1503	3.9578	5.6344	6.7703	3.5004	3.2460	5.5227	3.0850	2.2693	12.9155	6.8509	31.4043	32.6698	7.0640	7.9991
iso-butyricacid	45.2601	43.7184	116.5529	31.5173	57.8653	55.4711	60.9837	46.2291	87.4414	67.8433	190.0161	65.6913	147.6977	53.4808	48.8880	49.0341	133.5827	245.6880	104.3043	102.7301	91.9621	97.4757	136.2552	194.1840	286.8938	53.4595	105.2350	62.2779	108.6942	72.1416	87.4290	137.7964	52.3845	164.8514	69.7143	137.9058	89.8262	350.3086	150.5077	701.2857	77.9674	35.3342	34.2244	31.8226	108.5057	85.1580	75.9314	63.8162	59.9895	156.3117	147.5352	133.3399	138.0888	23.4905	60.3296	66.0275	73.8683	84.9130	120.5114	11.5373	85.6183	92.8251	60.6437	66.1514	73.2883	88.7383	71.5596	25.8095	80.5743	74.4118	120.2972	75.0826	33.3448	73.2729	141.8135	128.7388	115.8229	57.1850	65.5046	87.8770	80.2960	117.6918	128.0652	81.6363	34.8338	107.2809	91.4371	47.0730	48.4959
isovalericacid	21.2473	21.3471	44.2491	18.3940	28.9212	22.2833	24.8694	16.2489	26.7714	29.4660	73.1290	27.7443	39.3770	16.8510	29.3760	30.1136	41.8674	67.0787	33.9348	43.3436	27.9655	28.3459	33.1339	65.7986	67.4159	24.1234	29.1311	23.0444	32.0218	40.7611	41.7129	37.2664	37.8713	43.5138	46.9714	44.9800	41.4519	73.9106	43.6813	308.9286	20.5755	13.5111	8.9851	17.4825	29.5725	26.7467	26.8791	25.0541	16.9750	53.9052	51.4156	37.8195	34.2009	9.2542	13.9526	28.0495	26.7583	28.0769	27.8500	25.7763	28.4226	31.8794	22.3010	27.3027	22.1600	22.6531	20.5706	25.4370	30.2247	26.1176	27.0617	18.1341	27.5431	30.7112	48.5665	36.6423	39.5352	27.0813	18.6685	22.6505	28.8413	38.7852	46.6192	24.9198	10.8025	36.7574	29.9623	17.9089	21.9874
propionicacid	144.7665	36.9224	123.6263	60.5501	39.2009	21.7776	32.2367	18.0463	111.6709	83.4605	237.0323	36.8555	100.3359	60.9987	90.9040	63.0276	252.7676	28.3936	110.9855	114.2536	34.6759	27.9838	56.4770	189.5660	132.2743	132.2822	71.6393	41.7118	56.6953	355.8938	17.4806	216.1994	135.6106	48.0308	236.3429	260.6313	165.8487	106.8703	19.7791	902.2143	85.2495	41.6948	25.8646	25.8031	39.0147	37.1416	135.7407	214.8703	13.9012	23.2544	17.5455	145.1845	109.4439	28.1929	38.1839	59.3846	51.5825	30.8883	48.0636	110.7610	87.9747	118.8534	31.5081	154.4308	117.4807	18.0493	14.8006	83.4814	79.6380	31.9095	133.8187	80.5812	128.8103	88.7808	95.2850	26.2490	48.5616	131.8900	49.8248	79.5340	140.0315	36.0710	21.5077	87.9045	21.2834	116.9362	45.6069	21.3911	36.8880
valericacid	69.9947	31.0056	30.4010	45.3372	46.4326	30.3172	41.1918	23.5507	89.8953	87.1498	60.9355	38.3784	69.8700	33.7703	61.7360	42.4838	113.6131	148.3499	61.4058	98.7117	44.1586	69.4216	74.4686	96.8750	112.7522	38.2573	82.8579	57.7384	59.3757	138.7611	75.2290	203.8633	86.8977	106.5234	108.0857	133.2966	68.9775	252.2166	12.2804	463.8571	78.9554	12.0257	6.1640	31.0754	16.2378	56.4550	19.9183	76.0054	40.7739	133.1372	131.9971	169.2161	141.3785	26.9828	50.1294	45.1209	47.1641	57.4588	52.9990	25.0457	150.7644	145.5083	39.6549	36.4942	28.0951	37.8129	33.8006	37.2206	45.9301	34.7511	66.2980	43.2464	31.9741	23.9187	69.1969	57.5345	59.6231	64.6890	64.1416	13.8900	22.9786	16.7775	13.3379	95.4665	54.8460	157.5957	107.6667	25.4255	29.7516
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
aceticacid				176			Acetate	UM_Target_ID
butyricacid				20975673			Butyrate	UM_Target_ID
heptanoicacid				8094			Heptanoate	UM_Target_ID
hexanoicacid				8892			Hexanoate	UM_Target_ID
iso-butyricacid				6590			iso-butyrate	UM_Target_ID
isovalericacid				10430			Isovalerate	UM_Target_ID
propionicacid				1032			Propionate	UM_Target_ID
valericacid				7991			Valerate	UM_Target_ID
METABOLITES_END
#END