#METABOLOMICS WORKBENCH araskind_20170619_114634 DATATRACK_ID:1004 STUDY_ID:ST000707 ANALYSIS_ID:AN001098 PROJECT_ID:PR000504
VERSION             	1
CREATED_ON             	July 2, 2017, 11:13 am
#PROJECT
PR:PROJECT_TITLE                 	Amino Acid Analysis of Hamsters treated with antibiotics
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Amino Acid Analysis of Hamsters treated with antibiotics
PR:INSTITUTE                     	Kansas State University
PR:DEPARTMENT                    	Biology
PR:LABORATORY                    	Govind Lab
PR:LAST_NAME                     	Govind
PR:FIRST_NAME                    	Revathi
PR:ADDRESS                       	Manhattan, KS
PR:EMAIL                         	rgovind@ksu.edu
PR:PHONE                         	785-532-2816
#STUDY
ST:STUDY_TITLE                   	Amino Acid Analysis of hamster's gut contents
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	Hamsters were treated with Clindamycin, or a Saline, or nothing at all. After
ST:STUDY_SUMMARY                 	four days animals were sacrificed and their cecal contents were collected to
ST:STUDY_SUMMARY                 	record change in their Microbiome. Along with the Microbiome analysis we are
ST:STUDY_SUMMARY                 	also performing metabolomics analysis to understand the influence of change in
ST:STUDY_SUMMARY                 	the microbiome with the metabolic changes (if any). The cecal contents collected
ST:STUDY_SUMMARY                 	were frozen immediately (using liquid nitrogen) and was frozen in -80C until
ST:STUDY_SUMMARY                 	analysis.
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                    	3
ST:TOTAL_SUBJECTS                	20
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mesocricetus auratus
SU:TAXONOMY_ID                   	10026
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0013396	S00020057	Treatment:Antibiotic treated	
SUBJECT_SAMPLE_FACTORS           	SU0013397	S00020058	Treatment:Antibiotic treated	
SUBJECT_SAMPLE_FACTORS           	SU0013398	S00020059	Treatment:Antibiotic treated	
SUBJECT_SAMPLE_FACTORS           	SU0013399	S00020060	Treatment:Antibiotic treated	
SUBJECT_SAMPLE_FACTORS           	SU0013400	S00020061	Treatment:Antibiotic treated	
SUBJECT_SAMPLE_FACTORS           	SU0013401	S00020062	Treatment:Antibiotic treated	
SUBJECT_SAMPLE_FACTORS           	SU0013402	S00020063	Treatment:Antibiotic treated	
SUBJECT_SAMPLE_FACTORS           	SU0013403	S00020064	Treatment:Saline treated	
SUBJECT_SAMPLE_FACTORS           	SU0013404	S00020065	Treatment:Saline treated	
SUBJECT_SAMPLE_FACTORS           	SU0013405	S00020066	Treatment:Saline treated	
SUBJECT_SAMPLE_FACTORS           	SU0013406	S00020067	Treatment:Saline treated	
SUBJECT_SAMPLE_FACTORS           	SU0013407	S00020068	Treatment:Saline treated	
SUBJECT_SAMPLE_FACTORS           	SU0013408	S00020069	Treatment:Saline treated	
SUBJECT_SAMPLE_FACTORS           	SU0013409	S00020070	Treatment:Saline treated	
SUBJECT_SAMPLE_FACTORS           	SU0013410	S00020071	Treatment:No treatment	
SUBJECT_SAMPLE_FACTORS           	SU0013411	S00020072	Treatment:No treatment	
SUBJECT_SAMPLE_FACTORS           	SU0013412	S00020073	Treatment:No treatment	
SUBJECT_SAMPLE_FACTORS           	SU0013413	S00020074	Treatment:No treatment	
SUBJECT_SAMPLE_FACTORS           	SU0013414	S00020075	Treatment:No treatment	
SUBJECT_SAMPLE_FACTORS           	SU0013415	S00020076	Treatment:No treatment	
#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         	nmol/mg
MS_METABOLITE_DATA_START
Samples	S00020057	S00020058	S00020059	S00020060	S00020061	S00020062	S00020063	S00020064	S00020065	S00020066	S00020067	S00020068	S00020069	S00020070	S00020071	S00020072	S00020073	S00020074	S00020075	S00020076
Factors	Treatment:Antibiotic treated	Treatment:Antibiotic treated	Treatment:Antibiotic treated	Treatment:Antibiotic treated	Treatment:Antibiotic treated	Treatment:Antibiotic treated	Treatment:Antibiotic treated	Treatment:Saline treated	Treatment:Saline treated	Treatment:Saline treated	Treatment:Saline treated	Treatment:Saline treated	Treatment:Saline treated	Treatment:Saline treated	Treatment:No treatment	Treatment:No treatment	Treatment:No treatment	Treatment:No treatment	Treatment:No treatment	Treatment:No treatment
L-PROLINE	.966636756	2.063429242	2.275722529	1.96907276	.157184841	.208417527	.132963009	.263800329	3.747901604	2.185385077	2.442013388	3.322273256	2.282444014	2.452119338	1.192830403	1.672407113	1.816078901	1.219847449	1.2926223	2.715166213
L-GLUTAMIC ACID	.539794678	.551441689	.375598611	.385880359	1.166185278	2.354133641	1.256132024	1.307730647	.971857216	.472418236	.428727877	.526668048	.472475427	.729811349	.251634512	.254963986	.249955932	.633566378	.492635306	.886077219
L-ALANINE	3.951341628	6.820190765	9.185667564	7.405257353	.552560619	.650405434	.454654071	.798045136	13.71423111	5.178941128	9.455346442	11.13872456	8.529095096	9.524049678	2.642839978	5.700048571	6.047493949	2.311129649	4.690549022	9.510866516
L-SERINE	.770823354	.747151643	1.788776029	1.483716723	.147043024	.126936661	.060542515	.430847314	2.156829838	1.0059376	1.829945002	2.204696022	1.410623915	1.522946125	.750502069	.841434306	1.78669677	.425267383	1.67660906	2.371009002
L-ASPARTIC ACID	.026517065	.070411282	.094372867	.096876719	.180227158	.283318418	.372329397	.698078307	.222102474	.068289752	.101230387	.249606431	.078073017	.112752847	.101866246	.072314396	.107032126	.049426918	.116249349	.168912904
L-LYSINE	.700510283	1.683098779	1.801551904	1.517717773	.289279963	.799522586	.130352934	.410473365	2.911900052	1.436132343	.096603503	3.170748615	2.933820745	2.047322742	.980874306	1.899403644	.603624108	.774778724	2.724477393	4.646342911
L-TYROSINE	0	0	.04230421	0	.052150534	.20638964	.066125683	.098125203	.296035036	.020703474	.012037913	.082901867	.028806834	.034256524	.077698157	.018941275	.082794091	.053327368	.01769049	.049829005
L-LEUCINE	.343512171	.643267391	.397224871	.801377981	.233316611	.696890673	.209562448	.425464979	.535851758	.166201078	.102010556	.953130456	.400839573	.852283467	.644552024	.728902509	.832606423	.1477779	1.122034095	1.756963713
2-AMINOISOBUTYRIC ACID	.038059946	.056000687	.028613899	.033147882	.028096403	.047947807	.009505174	.025912828	.094372742	.064715908	.023382228	.041350666	.07970246	.026521219	.011686286	.010832578	.010606106	.053637267	.027086015	.066036048
L-METHIONINE	.122777267	.185734758	.213171247	.182075419	.045693969	.116619559	0	.061144877	.287582178	.118777526	.038662905	.288119421	.135824179	.26625977	.116007867	.178912184	.262947251	.067842377	.329782012	.405200725
L-PHENYLALANINE	.052007235	.057057251	.022323435	.066247676	.080248631	.236059722	.093148319	.205166045	.072503777	.024309984	.014785689	.108757477	.044976243	.0574923	.17378634	.054844814	.137130239	.059235128	.101952364	.161479162
L-ORNITHINE	.222221428	.614267063	.715441711	.797495321	.015736374	.011484498	.027105458	.016235408	1.023475607	.586403661	.036185827	.916026885	1.030771107	.928875344	.364976366	.793239273	.29125192	.165921684	.84781516	1.679244955
L-HISTIDINE	0	0	0	.032358531	.040933682	.040993168	.089475443	.116053139	.072504451	.048971581	.027877163	.136701231	.034163373	.030670023	.021750417	.017231552	.038271738	.028666831	.020070528	.057901621
L-VALINE	1.339740217	2.346329829	3.080748568	2.473961461	.319147089	.842514612	.123192522	.311617507	4.406319987	2.03301639	2.803551427	3.740011596	3.116998603	2.779677895	1.306842732	2.376330319	2.188563194	.976094094	1.831426399	3.084631774
L-THREONINE	.535661476	1.396476222	1.61594872	1.566153447	.097459331	.221282991	.102754021	.337935749	2.456825925	1.366193338	2.139706287	2.711746148	2.177028222	2.030434518	.753653017	1.367231027	1.657113489	.505455825	1.593273387	2.511315793
L-TRYPTOPHAN	.060832868	.027886859	.032371574	.077048156	.010852136	.011552115	.010458645	.017570204	.036695972	.005411729	.004729662	.029412178	.018686572	.04204505	.033581383	.031176926	.024065629	.014319176	.054787196	.058608779
L-ISOLEUCINE	.896845548	1.382706742	1.607749471	1.709101943	.148434254	.324368297	.195047193	.327483914	2.306223298	.617391083	1.196750111	2.232118215	1.69659246	2.001678571	1.011522906	1.638105144	1.447458999	.183772443	1.463311711	2.622081818
GLYCINE	1.597158013	2.449684696	3.227501386	2.841241889	.189167234	1.496832204	.147083644	.327285033	5.557417595	2.944413528	3.383620489	5.378751534	3.932543976	3.694112883	1.871867526	2.326984782	2.817261259	1.461958125	1.960586229	3.534585362
4-HYDROXYPROLINE	.034562544	.128114145	.038753419	.13220864	.006092071	.015251567	.024476339	.002120373	.238295777	.129526885	.062510736	.145941378	.059443204	.029820741	.044989267	.055880548	.026079768	.08107436	.05210551	.079987106
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-HISTIDINE				6274
L-VALINE				6287
L-THREONINE				6288
L-TRYPTOPHAN				6305
L-ISOLEUCINE				6306
GLYCINE				750
4-HYDROXYPROLINE				825
METABOLITES_END
#END