#METABOLOMICS WORKBENCH araskind_20170802_183923 DATATRACK_ID:1184 STUDY_ID:ST000834 ANALYSIS_ID:AN001335 STUDY_ID:ST000834 ANALYSIS_ID:AN001425 PROJECT_ID:PR000595
VERSION             	1
CREATED_ON             	October 3, 2017, 9:37 am
#PROJECT
PR:PROJECT_TITLE                 	Purine and TCA Measurements in SS Hypertension
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	Based on RNA-seq ontological and Bayesian analyses, both purine levels and
PR:PROJECT_SUMMARY               	TCA-cycle intermediates have been nominated as being regulated by pressure in
PR:PROJECT_SUMMARY               	the SS rat. This project seeks to verify the previous RNA-seq prediction.
PR:INSTITUTE                     	Medical College of Wisconsin
PR:DEPARTMENT                    	Physiology
PR:LABORATORY                    	Cowley Lab
PR:LAST_NAME                     	Cowley
PR:FIRST_NAME                    	Allen
PR:ADDRESS                       	Milwaukee, WI
PR:EMAIL                         	cowley@mcw.edu
PR:PHONE                         	414-955-8277
#STUDY
ST:STUDY_TITLE                   	Purine and TCA measurements in salt sensitive (SS) hypertension
ST:STUDY_TYPE                    	MS analysis
ST:STUDY_SUMMARY                 	SS rats were surgically implanted with a chronic servo-control cuff, the purpose
ST:STUDY_SUMMARY                 	of which is to maintain normal pressure to the left kidney while the right
ST:STUDY_SUMMARY                 	kidney is exposed to high blood pressure. After 7 days of high salt treatment,
ST:STUDY_SUMMARY                 	which induces high blood pressure in the SS rat, rats were anesthetized with
ST:STUDY_SUMMARY                 	pentobarbital, kidneys were flushed and removed. The renal medulla was separated
ST:STUDY_SUMMARY                 	from the cortex using scissors, and the renal medullas were frozen in liquid
ST:STUDY_SUMMARY                 	nitrogen and stored at -80 C.
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                    	11
ST:TOTAL_SUBJECTS                	4
#SUBJECT
SU:SUBJECT_TYPE                  	RAT
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10114
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0016139	S00025608	Side:Left	BP (mmHg)=127.0; Rat=1
SUBJECT_SAMPLE_FACTORS           	SU0016139	S00025609	Side:Right	BP (mmHg)=147.0; Rat=1
SUBJECT_SAMPLE_FACTORS           	SU0016141	S00025610	Side:Left	BP (mmHg)=128.0; Rat=2
SUBJECT_SAMPLE_FACTORS           	SU0016141	S00025611	Side:Right	BP (mmHg)=147.0; Rat=2
SUBJECT_SAMPLE_FACTORS           	SU0016143	S00025612	Side:Left	BP (mmHg)=124.0; Rat=3
SUBJECT_SAMPLE_FACTORS           	SU0016143	S00025613	Side:Right	BP (mmHg)=149.0; Rat=3
SUBJECT_SAMPLE_FACTORS           	SU0016145	S00025614	Side:Left	BP (mmHg)=n/a; Rat=n/a
SUBJECT_SAMPLE_FACTORS           	SU0016145	S00025615	Side:Right	BP (mmHg)=n/a; Rat=n/a
#COLLECTION
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_FILENAME  	A011_Glycolysis-TCA-nucleotides.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	5% Phenyl Methyl Siloxane
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890N
CH:COLUMN_NAME                   	Agilent HP5-MS (15m × 0.25mm, 0.25 um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	A011 - Glycolysis-TCA-nucleotides.pdf
AN:ACQUISITION_PARAMETERS_FILE   	HEIDI_FAMES_10MIN.M.zip
#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	S00025608	S00025609	S00025610	S00025611	S00025612	S00025613	S00025614	S00025615
Factors	Side:Left	Side:Right	Side:Left	Side:Right	Side:Left	Side:Right	Side:Left	Side:Right
PHOSPHOENOLPYRUVATE				0.002238075	0.002936561	0.001497128	0.001079579	0.001768693
D-ERYTHROSE 4-PHOSPHATE	0.014010332	0.016984821		0.01526438		0.052889418	0.036581065	0.000853245
BETA-NAD+	0.06374692	0.0700109	0.054146377	0.067540817	0.08577401	0.133515745	0.09906959	0.091508614
COENZYME II	0.009813115	0.009884822	0.014766304	0.0121121	0.012978596	0.007816356	0.008386053	0.012208726
SEDOHEPTULOSE 7-PHOSPHATE	0.083986073	0.077729168	0.061124042	0.098403809	0.10426337	0.070846085	0.072724669	0.087073947
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)	0.013320433	0.014285476	0.016721931	0.014346555	0.019849205	0.018468204	0.012829552	0.017093124
NADP-REDUCED	0.008387778	0.008428906	0.007512053	0.009540162	0.011727217	0.00976995	0.007538922	0.008385149
CITRIC ACID	0.030662316	0.022396995	0.011537887	0.021981468	0.012954692	0.033076688	0.017976974	0.013836711
NADH	0.017926504	0.022909499		0.024443716		0.018134525	0.018851791	
MALIC ACID	0.022499058	0.021519623	0.080753346	0.027962912	0.026168585	0.023875585	0.017976334	0.040948187
ADENOSINE TRIPHOSPHATE	0.152075649	0.287947471	0.061864497	0.24955847	0.230327265	0.163777487	0.143692973	0.178190663
SUCROSE	0.010345131	0.012354612	0.022875568	0.014202025	0.01962373	0.013422085	0.008699082	0.022132336
ADENOSINE 5'-DIPHOSPHATE	0.089739374	0.096910332	0.04465881	0.09643351	0.075164528	0.053531037	0.060481792	0.063066025
GLYCERATE 3-PHOSPHATE	0.159103562	0.175000564	0.152744093	0.202390679	0.296113929	2.481637296	0.317153825	0.295905343
RIBOSE PHOSPHATE	0.02365829	0.027799435	0.030244893	0.026928424	0.040660352	0.05223231	0.026300231	0.033856338
6-PHOSPHOGLUCONIC ACID	0.009685428	0.011277527	0.013712325	0.010531027	0.016499074	0.009863179	0.009594665	0.01428308
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
PHOSPHOENOLPYRUVATE				1005
D-ERYTHROSE 4-PHOSPHATE				122357
BETA-NAD+				15938971
COENZYME II				15938972
SEDOHEPTULOSE 7-PHOSPHATE				165007
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)				21125049
NADP-REDUCED				22833512
CITRIC ACID				311
NADH				439153
MALIC ACID				525
ADENOSINE TRIPHOSPHATE				5957
SUCROSE				5988
ADENOSINE 5'-DIPHOSPHATE				6022
GLYCERATE 3-PHOSPHATE				724
RIBOSE PHOSPHATE				77982
6-PHOSPHOGLUCONIC ACID				91493
METABOLITES_END
#END