#METABOLOMICS WORKBENCH araskind_20170619_125812 DATATRACK_ID:1011 STUDY_ID:ST000712 ANALYSIS_ID:AN001112 PROJECT_ID:PR000509 VERSION 1 CREATED_ON July 2, 2017, 12:30 pm #PROJECT PR:PROJECT_TITLE Diabetic Heart PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Diabetic heart adrenergic signaling and metabolism PR:INSTITUTE Oklahoma Medical Research Foundation PR:DEPARTMENT Aging & Metabolism PR:LABORATORY Humphries Lab PR:LAST_NAME Humphries PR:FIRST_NAME Kenneth PR:ADDRESS Oklahoma City, OK PR:EMAIL Kenneth-Humphries@omrf.org PR:PHONE 405-271-7584 #STUDY ST:STUDY_TITLE Diabetic heart adrenergic signaling and metabolism (STZ & Isoproterenol, High ST:STUDY_TITLE Fat) ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY We are examing the effect of both diabetes and adrenergic activation on the ST:STUDY_SUMMARY metabolomic profile. STZ treatment was initiated 5 months before hearts were ST:STUDY_SUMMARY harvested. High fat/low fat diets were given for 13 weeks. All hearts were ST:STUDY_SUMMARY excised in the morning. For the STZ/isoproterenol experiment, mouse anesthesia ST:STUDY_SUMMARY was initiated with 4% isoflurane, and maintained with 2% and a homeothermic ST:STUDY_SUMMARY controller. After 5 min of equilibration, control and fasted mice were injected ST:STUDY_SUMMARY intraperitoneally with either saline (S) or 25ug/kg isoproterenol (I). After an ST:STUDY_SUMMARY additional 5 min, the whole heart was quickly excised, washed with ice-cold ST:STUDY_SUMMARY distilled water, dried off with a chem whipe, and flash frozen in liquid ST:STUDY_SUMMARY nitrogen. Hearts were stored at -80, and shipped using dry ice. The hearts from ST:STUDY_SUMMARY the high fat diet experiement were prepared in the same way, but no injection ST:STUDY_SUMMARY was given and total anesthesia time was 5min instead of 10min. 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 7 ST:TOTAL_SUBJECTS 29 #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 SU0014674 S00022376 Treatment:Saline | Type:Control SUBJECT_SAMPLE_FACTORS SU0014675 S00022377 Treatment:Saline | Type:Control SUBJECT_SAMPLE_FACTORS SU0014676 S00022378 Treatment:Saline | Type:Control SUBJECT_SAMPLE_FACTORS SU0014677 S00022379 Treatment:Saline | Type:Control SUBJECT_SAMPLE_FACTORS SU0014678 S00022380 Treatment:Saline | Type:Control SUBJECT_SAMPLE_FACTORS SU0014679 S00022381 Treatment:Saline | Type:STZ diabetic SUBJECT_SAMPLE_FACTORS SU0014680 S00022382 Treatment:Saline | Type:STZ diabetic SUBJECT_SAMPLE_FACTORS SU0014681 S00022383 Treatment:Saline | Type:STZ diabetic SUBJECT_SAMPLE_FACTORS SU0014682 S00022384 Treatment:Saline | Type:STZ diabetic SUBJECT_SAMPLE_FACTORS SU0014683 S00022385 Treatment:Saline | Type:STZ diabetic SUBJECT_SAMPLE_FACTORS SU0014684 S00022386 Treatment:Isoproterenol | Type:Control SUBJECT_SAMPLE_FACTORS SU0014685 S00022387 Treatment:Isoproterenol | Type:Control SUBJECT_SAMPLE_FACTORS SU0014686 S00022388 Treatment:Isoproterenol | Type:Control SUBJECT_SAMPLE_FACTORS SU0014687 S00022389 Treatment:Isoproterenol | Type:Control SUBJECT_SAMPLE_FACTORS SU0014688 S00022390 Treatment:Isoproterenol | Type:STZ diabetic SUBJECT_SAMPLE_FACTORS SU0014689 S00022391 Treatment:Isoproterenol | Type:STZ diabetic SUBJECT_SAMPLE_FACTORS SU0014690 S00022392 Treatment:Isoproterenol | Type:STZ diabetic SUBJECT_SAMPLE_FACTORS SU0014691 S00022393 Treatment:Isoproterenol | Type:STZ diabetic SUBJECT_SAMPLE_FACTORS SU0014692 S00022394 Treatment:Isoproterenol | Type:STZ diabetic SUBJECT_SAMPLE_FACTORS SU0014693 S00022395 Treatment:none | Type:Low fat diet SUBJECT_SAMPLE_FACTORS SU0014694 S00022396 Treatment:none | Type:Low fat diet SUBJECT_SAMPLE_FACTORS SU0014695 S00022397 Treatment:none | Type:Low fat diet SUBJECT_SAMPLE_FACTORS SU0014696 S00022398 Treatment:none | Type:Low fat diet SUBJECT_SAMPLE_FACTORS SU0014697 S00022399 Treatment:none | Type:Low fat diet SUBJECT_SAMPLE_FACTORS SU0014698 S00022400 Treatment:none | Type:High fat diet SUBJECT_SAMPLE_FACTORS SU0014699 S00022401 Treatment:none | Type:High fat diet SUBJECT_SAMPLE_FACTORS SU0014700 S00022402 Treatment:none | Type:High fat diet SUBJECT_SAMPLE_FACTORS SU0014701 S00022403 Treatment:none | Type:High fat diet SUBJECT_SAMPLE_FACTORS SU0014702 S00022404 Treatment:none | Type:High fat diet #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A011 - Glycolysis-TCA-nucleotides.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A011 - Glycolysis-TCA-nucleotides.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6520B QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nmol/mg MS_METABOLITE_DATA_START Samples S00022376 S00022377 S00022378 S00022379 S00022380 S00022381 S00022382 S00022383 S00022384 S00022385 S00022386 S00022387 S00022388 S00022389 S00022390 S00022391 S00022392 S00022393 S00022394 S00022395 S00022396 S00022397 S00022398 S00022399 S00022400 S00022401 S00022402 S00022403 S00022404 Factors Treatment:Saline | Type:Control Treatment:Saline | Type:Control Treatment:Saline | Type:Control Treatment:Saline | Type:Control Treatment:Saline | Type:Control Treatment:Saline | Type:STZ diabetic Treatment:Saline | Type:STZ diabetic Treatment:Saline | Type:STZ diabetic Treatment:Saline | Type:STZ diabetic Treatment:Saline | Type:STZ diabetic Treatment:Isoproterenol | Type:Control Treatment:Isoproterenol | Type:Control Treatment:Isoproterenol | Type:Control Treatment:Isoproterenol | Type:Control Treatment:Isoproterenol | Type:STZ diabetic Treatment:Isoproterenol | Type:STZ diabetic Treatment:Isoproterenol | Type:STZ diabetic Treatment:Isoproterenol | Type:STZ diabetic Treatment:Isoproterenol | Type:STZ diabetic Treatment:none | Type:Low fat diet Treatment:none | Type:Low fat diet Treatment:none | Type:Low fat diet Treatment:none | Type:Low fat diet Treatment:none | Type:Low fat diet Treatment:none | Type:High fat diet Treatment:none | Type:High fat diet Treatment:none | Type:High fat diet Treatment:none | Type:High fat diet Treatment:none | Type:High fat diet PHOSPHOENOLPYRUVATE .009783482 .004316073 .002144593 0 .012374343 .004647159 .009172794 .001912081 0 .018924601 .007601588 0 .003665359 0 0 0 0 .010563242 .002567114 .003720755 .004713688 0 .012592497 .002756902 .002961738 .011400724 .007028696 0 .010035661 PYRIDOXINE-5'-PHOSPHATE .002690792 .002306379 .002399577 .002241308 .002073886 .00236583 .003178321 .002318982 .002672803 .002911504 .001839684 .002116572 .001888965 .002122809 .002448401 .002093815 .002622569 .002181108 .002878324 .001423068 .001812885 .001955237 .002398084 .002230441 .002897453 .003293048 .002876439 .003012973 .002457201 D-ERYTHROSE 4-PHOSPHATE .196820175 .087884611 .091364889 .096891896 .180909091 .103065862 .518278077 .070407079 .163988262 .526172393 .048714561 .123551265 .178375882 .091569958 .087243066 .10272544 .122204856 .324741069 .136397279 .146749222 .067095814 .313332238 .464798249 .118768196 .242077412 .819347007 .362078722 .187152568 .375520292 BETA-NAD+ .009088478 .006137946 .0063306 .004422821 .128935086 .052837424 .007383385 .010941204 0 .016443904 .16500922 .012319328 .186987102 .035166695 .004959266 .028766634 .005541964 .023991157 .013972072 .018538224 .005057853 0 .004902941 .006192066 .002828052 .008220827 .000833217 .002106554 .00756967 COENZYME II .013997527 .003559503 .004299958 .003563237 .012721801 .009457293 .012599047 .005998353 .002611745 .014934902 .017421235 .014064344 .015609129 .015011509 .010538522 .013697566 .016638007 .016077268 .015329944 .009533801 .003909934 .000834271 .010128546 .008006182 .006842594 .005546238 .002437466 .00472057 .015436993 SEDOHEPTULOSE 7-PHOSPHATE .027678843 .021528316 .02649098 .024334529 .006830465 .027862764 .024439943 .027324405 .051181826 .023894369 .00669566 .035863149 .009674135 .028579822 .030140054 .01602343 .042768504 .029082718 .025337361 .019134878 .021762062 .040632582 .03601837 .029836072 .024333446 .037079012 .099780868 .0429153 .020524392 D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE) .038913844 .016034325 .006967711 .008703451 .236985151 .018505955 .121595749 .006607812 .012222478 .147407157 .048798645 .012847278 .124187865 .01030923 .010744087 .012033162 .016632653 .024505653 .017266116 .020209985 .018796724 .022807061 .072758536 .012644894 .089622897 .133734764 .017013798 .016211725 .137850728 NADP-REDUCED 0 .002797055 0 .001725064 .054754161 .014704249 .033262746 .00933587 .003110479 .046315255 .042887043 .014605629 .062053217 .022565337 .02115546 .027723871 .052170739 .049680514 .022983777 .038301201 .008563591 .00107786 .035005753 .013342846 .028805872 .011208213 .005326726 .00775423 .056303867 CITRIC ACID .1149757 .057523982 .170653922 .060777829 1.233468295 .525023075 .195140852 .087407914 .013663353 .770148906 1.775166141 .915503289 1.48529329 1.466894431 .104592397 .735463674 .85294511 1.096876943 .590597139 .759649068 .044811726 .013937034 .425217151 .201590107 .096211022 .043715815 .004717226 .046557823 .526645067 NADH 0 .001886095 0 0 .28514968 .063656981 .012603206 .006593494 .002856654 .027255631 .133978236 .00617338 .572638428 .014904657 .003125469 .050944886 .011351191 .023111797 .014394686 .040291463 .004952883 0 .017118674 .00574426 .012720883 .017598798 .002998322 .002110356 .02117661 FUMARIC ACID .008144423 .00592678 .007117805 .007297742 .006704043 .01205887 .01053015 .012073034 .01051359 .011093094 .009155805 .009055551 .012555645 .011036272 .017066227 .025268475 .023782575 .021773673 .018682154 .010813554 .009892856 .016325485 .013554695 .012155283 .008546986 .009133208 .008051552 .010220977 .014689737 FAD .039175223 .038720971 .041027792 .035857653 .045543599 .056794489 .058638956 .045544398 .054441875 .071182845 .054958897 .052209276 .067691147 .053472459 .058232245 .058204314 .071079091 .064905125 .082307644 .049515326 .043372318 .023980449 .060296735 .061653848 .062678067 .068327 .063850339 .080429189 .069570529 MALIC ACID .552108192 .32555689 .384148186 .332843013 .412188961 .50990433 .766582444 .68658505 .51449479 .765696766 .602315511 .506276851 .750887321 .542960162 .895062502 .725635456 1.045395804 1.031896976 .974107233 .539241586 .492152358 .39537413 .74167599 .51945495 .52136288 .610968144 .525715895 .468079896 .78583412 ADENOSINE TRIPHOSPHATE .039626087 .065707958 .034670002 .019581848 .040790471 .071781315 .045865706 .041979781 .033176322 .067410058 .046195621 .065323371 .064735997 .04636691 .06214203 .051316737 .090454393 .040763473 .053158293 .056433335 .204952359 .02895778 .064490577 .052574091 .02222942 .025266273 .035267469 .006511296 .088831429 ROBISON ESTER .230709887 .073029133 .05536203 .062426961 .280606741 .093556307 .702080713 .056170176 .089452176 .701307969 .100768594 .109120416 .237118966 .090542926 .058741275 .110303458 .119285256 .427622708 .144942367 .190180874 .051212076 .391891245 .647127741 .07932165 .257278836 1.212950745 .381952327 .150137565 .479190484 SUCROSE .033610536 .029251654 .029581972 .015330729 .162363778 .09485125 .038592579 .032822756 .007836002 .047966287 .041233697 .026702602 .157214043 .064161555 .02503752 .027042369 .04516233 .059380883 .062910167 .063296001 .018264675 .003242484 .029471169 .021321506 .024500874 .014567256 .007833397 .017639137 .040916668 ADENOSINE 5'-DIPHOSPHATE .093496979 .07391091 .091651036 .075715103 .338824055 .16908697 .12679388 .088763189 .089472727 .178791165 .247036443 .09836416 .264628714 .114254689 .109550881 .140607707 .129726011 .131911052 .155061311 .126952016 .085291186 .094561911 .139071773 .119990139 .124758745 .150105445 .100307117 .155567139 .15069191 ADENOSINE 5'-MONOPHOSPHATE .434696218 .734545144 .557174159 .597940372 .863439759 .871993021 .785597301 .990236747 .40427369 1.19337388 1.900936063 1.116201978 2.659618775 1.255460647 .89931323 2.095204503 .868954513 1.167302551 1.028026433 .000524892 .757107909 .157806467 .675793361 .883873303 .000997143 .990922331 1.005883901 1.076298711 1.216096316 LACTIC ACID 2.205714186 2.262276034 1.984009675 2.551883202 1.942897671 2.206353908 3.200220849 2.376348998 2.678360616 2.332013786 1.58746671 2.030229717 1.706405406 2.075274799 1.739396761 1.789420107 2.082853441 2.146282546 2.643452685 2.300591919 2.152605693 .667909297 2.581113608 3.122829957 4.270708918 4.565542431 4.113164025 3.534402309 2.963567661 GLYCERATE 3-PHOSPHATE .129949141 .043521591 .069066458 .022302216 .338194167 .153984506 .134003702 .041584458 .04284809 .268576122 .187017637 .084383841 .177529661 .110792398 .04927723 .095468269 .06501316 .177121795 .1018642 .091720933 .066089342 .032186577 .183274987 .053707754 .074729597 .136787919 .076441706 .056687175 .148695116 RIBOSE PHOSPHATE .576112835 .706371964 .663099104 .63563793 .217465896 .561578354 .699357876 .710530648 1.027000859 .650950792 .22274793 .556199732 .269333273 .500391547 .67031788 .401442622 .730708028 .532798915 .848511307 .451446629 .484032187 .502211134 .716095919 .886811868 .824578772 .807956751 .844203703 1.109163684 .616604617 6-PHOSPHOGLUCONIC ACID .001590978 .000687462 .000944145 .001228558 .00107429 .001520471 .004481324 .000999228 .000645105 .003074022 .001109859 .004188148 .001637386 .002175248 .002057016 .001235134 .004787943 .003527057 .002405787 .001865605 .000714119 .002782061 .003802254 .001802538 .002103291 .003086802 .002381968 .002066578 .004267854 ACETOACETYL-COA 0 0 0 0 .010024677 .008127649 .007925294 .007771678 0 .00878874 .009838482 .008110566 .017191203 .008829039 0 .010521712 .00778995 .007862549 .007625895 .008816692 .007377768 0 .008421329 .008202198 .007722615 .007494207 0 0 .008454217 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 PYRIDOXINE-5'-PHOSPHATE 1055 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 FUMARIC ACID 444972 FAD 46906035 MALIC ACID 525 ADENOSINE TRIPHOSPHATE 5957 ROBISON ESTER 5958 SUCROSE 5988 ADENOSINE 5'-DIPHOSPHATE 6022 ADENOSINE 5'-MONOPHOSPHATE 6083 LACTIC ACID 612 GLYCERATE 3-PHOSPHATE 724 RIBOSE PHOSPHATE 77982 6-PHOSPHOGLUCONIC ACID 91493 ACETOACETYL-COA 92153 METABOLITES_END #END