#METABOLOMICS WORKBENCH araskind_20170619_175040 DATATRACK_ID:1034 STUDY_ID:ST000729 ANALYSIS_ID:AN001142 PROJECT_ID:PR000526
VERSION             	1
CREATED_ON             	July 3, 2017, 10:43 am
#PROJECT
PR:PROJECT_TITLE                 	Ethicon Rat Study
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Amino acid analysis in plasma between Sham and VSG
PR:INSTITUTE                     	University of Michigan
PR:DEPARTMENT                    	Surgery
PR:LABORATORY                    	Seeley Lab
PR:LAST_NAME                     	Seeley
PR:FIRST_NAME                    	Randy
PR:ADDRESS                       	Ann Arbor, MI
PR:EMAIL                         	seeleyrj@umich.edu
PR:PHONE                         	734-615-2880
#STUDY
ST:STUDY_TITLE                   	Metabolomics of rats after bariatric or sham surgery
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	We would like to examine the levels of amino acids in rats who have underwent
ST:STUDY_SUMMARY                 	bariatric (VSG, vertical sleeve gastrectomy) or sham (control) surgery. Plasma
ST:STUDY_SUMMARY                 	was collected after an overnight fast and once again after refeeding the rats
ST:STUDY_SUMMARY                 	for 2 hours.
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@med.umich.edu
ST:PHONE                         	(734) 232-8175
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	24
#SUBJECT
SU:SUBJECT_TYPE                  	Mouse
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0017524	S00027572	Diet:fasting overnight | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017525	S00027573	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017526	S00027574	Diet:fasting overnight | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017527	S00027575	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017528	S00027576	Diet:fasting overnight | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017529	S00027577	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017530	S00027578	Diet:fasting overnight | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017531	S00027579	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017532	S00027580	Diet:fasting overnight | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017533	S00027581	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017534	S00027582	Diet:fasting overnight | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017535	S00027583	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017536	S00027584	Diet:fasting overnight | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017537	S00027585	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017538	S00027586	Diet:fasting overnight | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017539	S00027587	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017540	S00027588	Diet:fasting overnight | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017541	S00027589	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017542	S00027590	Diet:fasting overnight | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017543	S00027591	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017544	S00027592	Diet:fasting overnight | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017545	S00027593	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017546	S00027594	Diet:fasting overnight | Surgery:SHAM surgery	
SUBJECT_SAMPLE_FACTORS           	SU0017547	S00027595	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A005 - Amino Acids.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890N
CH:COLUMN_NAME                   	Phenomenex Zebron ZB-AAA Amino Acid Analysis 10m x 0.25mm
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	A005 - Amino Acids.pdf
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 5975
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	uM
MS_METABOLITE_DATA_START
Samples	S00027572	S00027573	S00027574	S00027575	S00027576	S00027577	S00027578	S00027579	S00027580	S00027581	S00027582	S00027583	S00027584	S00027585	S00027586	S00027587	S00027588	S00027589	S00027590	S00027591	S00027592	S00027593	S00027594	S00027595
Factors	Diet:fasting overnight | Surgery:VSG surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	Diet:fasting overnight | Surgery:VSG surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	Diet:fasting overnight | Surgery:VSG surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	Diet:fasting overnight | Surgery:VSG surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	Diet:fasting overnight | Surgery:VSG surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	Diet:fasting overnight | Surgery:VSG surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:VSG surgery	Diet:fasting overnight | Surgery:SHAM surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	Diet:fasting overnight | Surgery:SHAM surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	Diet:fasting overnight | Surgery:SHAM surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	Diet:fasting overnight | Surgery:SHAM surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	Diet:fasting overnight | Surgery:SHAM surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery	Diet:fasting overnight | Surgery:SHAM surgery	Diet:refed for 2 hours (45% HFD food) | Surgery:SHAM surgery
L-PROLINE	173.4414498	381.7842574	181.6496847	156.4874617	368.7266337	329.131305	175.0582359	169.492558	197.8798334	181.0409331	143.9397925	255.6548925	144.3655518	163.3802295	178.5707159	314.1544643	158.8795433	308.0202584	166.9789067	280.7665901	182.3173192	297.3711097	173.260446	297.2598315
L-GLUTAMIC ACID	266.458605	294.9024369	180.2054074	115.2467742	185.3627613	94.61017429	102.3020073	86.39986969	127.2505518	141.0421862	84.28622483	142.7342389	97.5304568	65.89802077	74.46000631	67.32550833	123.4945404	148.1011392	85.85281925	56.37854567	69.07795332	48.3422524	50.8060915	39.80617287
L-ALANINE	626.3512464	869.6739733	467.2804337	297.3353704	471.5930206	475.9383887	463.6087678	260.3583559	291.6375927	187.8590254	329.3843455	456.6490228	435.610063	308.6703224	475.8773718	662.8577819	400.6195536	510.6097224	480.8365459	456.5969725	401.1431516	471.8312127	443.3412854	363.8185529
L-SERINE	875.3393492	883.493214	964.075683	913.736704	1080.133285	695.948119	769.4972654	894.2666816	565.818072	719.8591884	1151.047912	761.231583	427.4615468	188.6809164	319.0068937	276.8675725	534.6244162	437.666802	336.6145223	467.5957444	671.5865429	437.243828	393.1338642	446.5123886
L-ASPARTIC ACID	52.85417514	41.08745176	21.57404364	22.52878978	39.00488123	34.05307794	24.15370678	12.99610292	64.01366787	52.83210753	31.41565754	16.87347808	26.46513296	19.83570312	6.733165496	10.0297241	22.60105356	35.07851644	9.505636737	6.125731308	19.51068749	7.559676716	14.03832701	13.94357053
L-LYSINE	445.4202771	473.197194	383.5136557	432.6168848	601.780028	405.4278795	415.4954357	441.6706943	544.2214187	508.52881	529.0847673	504.843136	388.2227459	265.9988716	372.1463487	439.6291032	335.2403185	303.6979491	425.7140694	463.077436	635.0351569	448.2000115	509.4860419	457.8270725
L-TYROSINE	53.00747691	83.18664921	67.78116174	57.48043042	106.2791665	70.69087593	62.20534278	66.19179673	81.35993705	69.27073585	58.8310794	75.87838056	61.35375903	46.68717766	53.06563829	60.15054299	32.71734468	60.50837237	53.05977223	47.67512466	65.00664218	77.99223277	48.4483799	110.41312
L-LEUCINE	79.03638971	102.0485823	68.19956601	77.1529248	88.64978951	46.63317971	60.72925852	61.07299082	91.08958475	82.65293688	81.49636956	83.93629627	94.23831746	53.95017281	92.94861027	107.6313739	96.92214713	106.2422281	79.23673073	86.17385934	110.0241101	89.50938264	101.1104734	106.2952082
2-AMINOISOBUTYRIC ACID	14.20032124	11.13783355	14.60134717	16.88814388	8.675068725	8.094612156	19.47054753	16.8773016	52.46987701	39.09341241	20.98241927	16.16437817	8.448116338	4.446237929	18.7667953	13.76590293	11.98338281	7.826813666	10.56261465	10.22041932	23.01577817	13.04289832	19.80053333	8.264153192
L-METHIONINE	29.32110184	33.4224896	35.4465108	20.94594763	38.92100833	25.51793651	35.22759339	33.20263835	23.24051556	27.70617693	30.6234626	38.31725905	45.37796381	33.35545738	43.32243826	48.80555746	39.65543172	57.51010021	36.99742265	46.03353959	50.11905178	58.66245543	36.03853666	80.14144757
L-PHENYLALANINE	54.19330107	60.65592564	55.580498	51.64224166	66.62939472	46.05556211	42.37683608	53.01367387	63.86626653	66.83707098	53.56743963	64.38354523	65.33535847	49.31555865	54.47051691	67.70516251	57.472026	80.55247475	52.27670436	66.85190511	66.34084613	64.67660883	55.67946065	93.63739477
L-ORNITHINE	42.44180826	40.48237223	41.71918084	42.16380504	42.9533725	29.27971311	25.20308401	34.37557774	50.91939292	56.83689055	37.77727961	31.50261759	21.33066267	16.57244773	19.06969683	20.90622284	33.23429213	28.0258378	22.81417319	23.8372436	24.2706139	25.79513987	17.10924216	24.88137962
L-ASPARAGINE	104.2190182	164.9125076	82.72073672	84.83940711	114.32213	78.79803912	68.86448248	101.9303522	24.73450662	24.19787118	121.3943621	133.6036454	95.61837339	72.92318392	81.74109017	106.8612471	103.2084182	136.3024837	109.1922111	130.4471157	183.3367281	137.9418938	107.6810834	202.1517431
L-HISTIDINE	24.76209878	37.60702717	28.88575905	32.56381117	49.50001163	31.23511826	40.85802328	47.06762962	55.03615236	50.16194943	56.58752498	55.5447138	37.58779336	26.93827936	41.64994598	42.61928096	29.27655852	20.04221989	17.68621787	26.04417039	33.4724243	23.28182482	35.0926789	56.33248679
L-VALINE	119.2392623	172.6285909	97.81029306	105.2005066	132.8863914	98.84267658	104.7067935	81.25917736	125.9681247	90.28733218	101.6795539	116.7084605	142.3899544	91.25749638	168.0729388	185.1228855	147.6304	137.8909833	147.0365239	134.1033051	132.4919313	122.5672251	171.8615218	127.8088558
L-THREONINE	285.8805327	283.3512508	253.9103464	252.5494831	530.8733448	407.2795562	249.8792874	308.6115681	307.2439102	338.4314911	289.2555597	279.5826774	342.3530156	200.92869	329.0830228	310.4306674	387.5041185	418.5759296	339.2740674	406.7486749	550.983805	442.7499494	387.4619461	542.0837561
L-TRYPTOPHAN	56.54822652	74.95302921	63.13491092	42.95315721	72.62684604	30.69065332	24.65350563	42.41731631	30.04744073	49.54142517	47.54346484	53.72283471	48.771141	44.29708457	61.5975684	53.56490102	68.00537484	63.36279936	47.79849856	75.50778379	66.43341171	76.59814949	57.66496109	107.264309
L-ISOLEUCINE	65.34032986	89.35967819	59.86332993	30.09662426	61.13634851	40.14206036	48.59341803	44.25432716	82.48803105	58.00284877	63.71154132	67.25979082	74.48020829	34.76754305	84.83497944	63.56678223	84.58285423	74.20566708	77.39972216	67.61812937	87.58147673	67.55610759	93.31914019	64.74138787
GLYCINE	711.2221272	482.3767177	714.8254075	639.6445605	464.8732346	583.2563777	604.9179328	448.4687032	666.9158074	545.3023816	691.2705442	382.2811857	599.4973447	219.5741142	391.9982998	287.936319	514.7462663	392.4710132	599.1472051	361.2017401	657.4019782	302.058558	638.4918934	341.5012834
4-HYDROXYPROLINE	32.48971893	33.91231151	43.63520577	41.16526614	52.23229231	43.75566262	28.14822034	33.16205986	61.47631031	80.71523677	43.50342547	30.40858426	23.54727592	11.46670774	22.7888179	16.98508403	18.03315778	12.41550135	24.43006526	29.86793178	37.13369478	24.10201244	37.5280997	40.59686154
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
L-PROLINE				145742
L-GLUTAMIC ACID				33032
L-ALANINE				5950
L-SERINE				5951
L-ASPARTIC ACID				5960
L-LYSINE				5962
L-TYROSINE				6057
L-LEUCINE				6106
2-AMINOISOBUTYRIC ACID				6119
L-METHIONINE				6137
L-PHENYLALANINE				6140
L-ORNITHINE				6262
L-ASPARAGINE				6267
L-HISTIDINE				6274
L-VALINE				6287
L-THREONINE				6288
L-TRYPTOPHAN				6305
L-ISOLEUCINE				6306
GLYCINE				750
4-HYDROXYPROLINE				825
METABOLITES_END
#END