#METABOLOMICS WORKBENCH hormel101_20170623_105628 DATATRACK_ID:1080 STUDY_ID:ST000632 ANALYSIS_ID:AN000964 PROJECT_ID:PR000457 VERSION 1 CREATED_ON June 25, 2017, 9:04 am #PROJECT PR:PROJECT_TITLE Metabolomic Mechanisms of Dietary Salt Effects on Blood Pressure PR:PROJECT_SUMMARY "Enhanced sensitivity of blood pressure to salt intake is observed in PR:PROJECT_SUMMARY approximately 50% of hypertensive patients, reaching 75% in African American PR:PROJECT_SUMMARY hypertensive patients. We recently discovered a novel role of abnormal cellular PR:PROJECT_SUMMARY intermediary metabolism in hypertension in the Dahl salt-sensitive (SS) rat, the PR:PROJECT_SUMMARY most commonly used polygenic, hereditary model of human salt-sensitive PR:PROJECT_SUMMARY hypertension. We propose to test the hypothesis that blood pressure sensitivity PR:PROJECT_SUMMARY to dietary salt intake in human is associated with metabolite changes in the PR:PROJECT_SUMMARY urine. Leveraging the expertise and resources at the Mayo Clinic Metabolomics PR:PROJECT_SUMMARY Resources Core, we propose to perform targeted LC/MS analysis and NMR spectra PR:PROJECT_SUMMARY generation in urine samples obtained from a subset of subjects from the Dietary PR:PROJECT_SUMMARY Approaches to Stop Hypertension – Sodium (DASH2) clinical trial and kidney PR:PROJECT_SUMMARY tissue extract and urine samples from SS rats and a newly generated transgenic PR:PROJECT_SUMMARY rat that overexpresses fumarase (SS.Fh1+). The study will be the first to PR:PROJECT_SUMMARY systematically characterize urinary metabolite profiles associated with blood PR:PROJECT_SUMMARY pressure response to salt in humans. The study is anticipated to generate new PR:PROJECT_SUMMARY insight into the mechanisms (particularly renal mechanisms) underlying PR:PROJECT_SUMMARY salt-sensitive hypertension. Findings of the proposed study could lead to an PR:PROJECT_SUMMARY expanded clinical study as well as mechanistic studies in animal models." PR:INSTITUTE Mayo Clinic PR:LAST_NAME Liang PR:FIRST_NAME Mingyu PR:ADDRESS M PR:EMAIL mliang@mcw.edu PR:PHONE 414-955-8539 #STUDY ST:STUDY_TITLE Amino Acid Metabolites of Dietary Salt Effects on Blood Pressure in Rat Urine ST:STUDY_TITLE (part V) ST:STUDY_SUMMARY We propose to analyze kidney tissue extract and urine samples from SS and ST:STUDY_SUMMARY SS.Fh1+ transgenic rats in addition to the analysis of urine samples from the ST:STUDY_SUMMARY DASH2 trial. The analysis of the rat samples will be highly valuable for several ST:STUDY_SUMMARY reasons. First, it will to take the findings in human subjects back to animal ST:STUDY_SUMMARY models and prepare us for further mechanistic studies. We hypothesize at least ST:STUDY_SUMMARY some of the effects of dietary salt intake on metabolite profiles in human will ST:STUDY_SUMMARY be recapitulated or altered in the SS rat. If this is confirmed, we will have a ST:STUDY_SUMMARY highly informative animal model ready for mechanistic studies in which we can ST:STUDY_SUMMARY investigate the functional contribution of specific metabolites to hypertension ST:STUDY_SUMMARY and the mechanisms involved. Second, the rat study will allow us to take ST:STUDY_SUMMARY advantage of a new and unique transgenic SS.Fh1+ model that we recently ST:STUDY_SUMMARY developed that overexpresses fumarase (Fh1) on the genetic background of the SS ST:STUDY_SUMMARY rat. Fumarase is a TCA cycle enzyme previously implicated in salt-induced ST:STUDY_SUMMARY hypertension in SS rats. ST:INSTITUTE Mayo Clinic ST:LAST_NAME Liang ST:FIRST_NAME Mingyu ST:ADDRESS Medical College of Wisconsin 8701 Watertown Plank Road Milwaukee, WI 53226 ST:EMAIL mliang@mcw.edu ST:PHONE 414-955-8539 #SUBJECT SU:SUBJECT_TYPE Rat SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - ms5953-1 Time point:Control Date of study=8/3/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-2 Time point:Control Date of study=8/3/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-3 Time point:Control Date of study=8/3/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-4 Time point:Control Date of study=8/3/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-5 Time point:Control Date of study=8/3/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-6 Time point:Control Date of study=8/3/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-7 Time point:Control Date of study=8/3/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-8 Time point:Control Date of study=8/3/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-9 Time point:7 day HS Date of study=8/10/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-10 Time point:7 day HS Date of study=8/10/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-11 Time point:7 day HS Date of study=8/10/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-12 Time point:7 day HS Date of study=8/10/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-13 Time point:7 day HS Date of study=8/10/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-14 Time point:7 day HS Date of study=8/10/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-15 Time point:7 day HS Date of study=8/10/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-16 Time point:7 day HS Date of study=8/10/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-17 Time point:Control Date of study=9/2/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-18 Time point:Control Date of study=9/2/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-19 Time point:Control Date of study=9/2/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-20 Time point:Control Date of study=9/2/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-21 Time point:Control Date of study=9/2/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-22 Time point:Control Date of study=9/2/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-23 Time point:Control Date of study=9/2/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-24 Time point:Control Date of study=9/2/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-25 Time point:Control Date of study=9/2/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-26 Time point:Control Date of study=9/2/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-27 Time point:7 day HS Date of study=9/9/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-28 Time point:7 day HS Date of study=9/9/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-29 Time point:7 day HS Date of study=9/9/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-30 Time point:7 day HS Date of study=9/9/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-31 Time point:7 day HS Date of study=9/9/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-32 Time point:7 day HS Date of study=9/9/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-33 Time point:7 day HS Date of study=9/9/2010; gender=M; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-34 Time point:7 day HS Date of study=9/9/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-35 Time point:7 day HS Date of study=9/9/2010; gender=F; sample type=rat urine SUBJECT_SAMPLE_FACTORS - ms5953-36 Time point:7 day HS Date of study=9/9/2010; gender=F; sample type=rat urine #COLLECTION CO:COLLECTION_SUMMARY Samples are from Transgenic fumerase rats and WT littermates, 13 weeks of age, CO:COLLECTION_SUMMARY placed on low salt or high salt dyets. We are interested in any differences in CO:COLLECTION_SUMMARY the TCA and AA intermediates. #TREATMENT TR:TREATMENT_SUMMARY We will analyze kidney tissue extract and urine samples from SS rats and the TR:TREATMENT_SUMMARY newly generated SS.Fh1+ transgenic rats. The SS.Fh1+ rat was generated using a TR:TREATMENT_SUMMARY Sleeping Beauty transposon-mediated transgenic technique. Overexpression of TR:TREATMENT_SUMMARY fumarase has been confirmed in SS.Fh1+ rats. Preliminary study indicated that TR:TREATMENT_SUMMARY the development of salt-induced hypertension was altered in SS.Fh1+ rats TR:TREATMENT_SUMMARY compared to wild-type littermate SS rats. We will analyze kidney tissue extract TR:TREATMENT_SUMMARY and urine samples collected from rats maintained on a 0.4% NaCl diet or switched TR:TREATMENT_SUMMARY to a 4% NaCl diet for 7 days. The dietary protocol has been used in numerous TR:TREATMENT_SUMMARY studies to examine mechanisms underlying salt sensitivity including early TR:TREATMENT_SUMMARY responses (7 days) to salt in the SS model. In total, 64 rat samples (two rat TR:TREATMENT_SUMMARY strains, two salt levels, and 8 rats per condition) will be analyzed. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Rat urine amino acids #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (150 x 2.1mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Quantum Ultra MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples ms5953-1 ms5953-2 ms5953-3 ms5953-4 ms5953-5 ms5953-6 ms5953-7 ms5953-8 ms5953-9 ms5953-10 ms5953-11 ms5953-12 ms5953-13 ms5953-14 ms5953-15 ms5953-16 ms5953-17 ms5953-18 ms5953-19 ms5953-20 ms5953-21 ms5953-22 ms5953-23 ms5953-24 ms5953-25 ms5953-26 ms5953-27 ms5953-28 ms5953-29 ms5953-30 ms5953-31 ms5953-32 ms5953-33 ms5953-34 ms5953-35 ms5953-36 Factors Time point:Control Time point:Control Time point:Control Time point:Control Time point:Control Time point:Control Time point:Control Time point:Control Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:Control Time point:Control Time point:Control Time point:Control Time point:Control Time point:Control Time point:Control Time point:Control Time point:Control Time point:Control Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Time point:7 day HS Histidine 50.79882276 113.0621999 90.20009186 51.55435848 107.2772994 59.37500696 153.7515813 232.2578512 14.06142306 17.53449372 17.21728027 17.97152322 34.95895314 39.4161134 57.29719126 41.63865698 68.20523524 48.86325986 57.35262721 41.33651396 60.0324366 56.27573497 79.91753113 116.277001 82.85163297 49.3333882 13.93651795 20.18329213 58.87822358 30.90500223 17.20335629 22.57019521 29.21195578 28.1890411 113.03947 46.22446241 Hydroxyproline 32.66595124 51.75261316 52.01175422 30.33301555 37.15271111 18.83002171 33.26699149 38.88395327 12.66491502 7.883559797 12.10470094 12.42123072 24.30514828 20.71141349 14.96065047 13.50923059 43.60730216 23.34564635 17.45004021 13.82075482 32.1033636 28.05376681 32.54772186 18.31109804 23.21704254 8.819090622 8.368080548 11.83636362 22.44293645 10.68758948 10.38382349 10.83699989 16.56630532 12.44057617 37.86004301 11.19098653 1-Methylhistidine 0 85.74110873 137.8096785 48.90415231 282.794685 112.7115086 255.2757547 242.3411627 24.17583519 17.26881818 26.18873134 22.19133872 78.52701722 54.59590441 66.84824601 55.95272792 73.64536942 41.58286355 172.5659379 144.1936705 62.04387197 75.65875031 109.0271619 141.5299269 186.8736731 101.9332912 12.82254226 25.41649582 112.0746904 62.89673489 23.58569567 24.57563806 44.93601266 65.05722597 154.8019207 78.73388278 3-Methylhistidine 97.35019972 225.8743984 149.3783462 82.25468616 198.3424542 91.76461735 187.2657604 226.7360791 31.72633546 41.2871843 39.96893518 46.88644948 46.48520988 42.15231861 68.61025993 45.05901704 132.6329283 80.57587877 118.3303199 89.79361623 154.8188482 134.4613753 202.0978626 202.5708254 138.2634489 141.9004194 30.50843156 50.05735319 50.8826662 56.22465845 43.91355506 45.04650716 54.77218947 41.68882453 84.00227848 64.86426205 Asparagine 57.27023462 107.6927264 83.75269036 46.88817968 50.23686602 32.9637467 68.59012134 94.74633717 16.86575018 17.88982895 15.84731224 18.14197525 13.46152933 20.36680389 32.10020669 15.51879104 54.17973243 41.1631211 28.52314209 14.46112471 61.8279903 47.0070264 49.73640105 67.33992662 29.62985452 44.50891199 13.72868552 15.22010343 18.422273 17.07498357 15.27580174 19.42010928 23.3635158 17.3561381 33.2123239 27.78360421 Phosphoethanolamine 9.038753705 30.49119829 23.19956189 6.898960333 9.025219752 2.894633757 17.42379979 20.9723279 3.775116686 6.741268628 6.215369835 6.339100727 2.452971663 3.494110409 2.602449246 3.901173936 12.79160249 16.11219444 2.984750977 4.821189271 17.46039078 14.28907758 18.25201267 3.202471515 3.899494504 5.271052903 5.291776435 7.220387449 2.340301013 1.286933661 4.540460563 4.272920956 4.261992752 2.909104456 2.901805581 2.02089229 Arginine 58.99136677 98.7419594 108.917782 77.82025173 60.77928581 35.29133939 74.61742837 99.8081239 17.74746742 23.77872551 19.89780362 18.61886158 17.97575272 23.76225855 33.34553563 21.59210011 67.98539305 87.32189193 50.28903705 31.56539944 96.40195554 63.35526271 148.9825064 88.24373798 39.73161149 78.91021339 20.3086981 30.28759761 29.16359994 21.3451764 21.48082161 22.62446963 19.92278412 15.60017124 37.72659256 31.48110611 Carnosine 0.294275203 0.475587635 0.309018921 0.326132525 0.307596568 0.171951728 0.144807407 0.389314938 0.075695826 0.119023865 0.097818692 0.121135059 0.121561651 0.120466439 0.186235535 0.16384253 0.457028264 0.454800456 0.211275119 0.188868511 0.54995752 0.402494314 0.490498186 0.389133569 0.34253065 0.316520563 0.061477653 0.110002726 0.105640606 0.154133401 0.105710443 0.055980094 0.064010215 0.093030983 0.036558887 0.114183547 Taurine 10356.86819 13383.98619 10603.49187 5331.816616 4767.678378 3447.886876 7191.636362 14134.48876 3374.503211 4844.735947 4495.83382 2198.187984 3322.048868 2267.228468 3273.351314 3461.473668 9516.043139 9940.324576 4283.422301 3145.532764 12980.04472 8736.68623 13111.96779 4127.199323 3124.916162 5066.189653 2917.900625 2715.621667 3878.465952 2660.910511 3344.974001 3171.044374 2465.704491 1851.779313 1938.783793 4428.901587 Anserine 0.825137468 1.153351181 0.702175746 0.619023722 0.823387651 0.280855218 1.057875409 1.234272733 0.082616028 0.20335716 0.081986581 0.167802521 0.173530512 0.213523033 0.279785558 0.117339816 0.891654447 0.637260772 0.62984467 0.518515503 0.780098582 0.818735597 1.114441339 1.102447893 0.570750724 0.498631053 0.079871608 0.155826724 0.209606968 0.172333708 0.126325193 0.186949392 0.19413341 0.078980579 0.319654642 0.303056342 Serine 106.1576531 176.2085485 146.9137569 85.16014162 263.1741757 149.2474927 254.9109169 496.6549166 34.28166772 31.15430431 26.29074372 27.8842534 92.59809694 90.8370808 148.9228019 98.92287607 108.0160314 98.54000285 172.3276341 130.237833 112.3499813 89.41899308 136.3639347 304.5090693 175.378986 131.1177749 33.13805886 43.37692744 107.0521227 79.41828973 37.78800076 47.69979908 51.45880156 95.17551996 248.8277627 123.7696235 Glutamine 215.4919045 353.7945369 313.2337003 188.1967385 239.4302392 140.628949 273.2308235 397.8843017 70.65570148 73.03411147 75.89560099 79.9330095 91.83010818 114.6631129 151.2847252 98.48660491 232.2404362 233.2209189 199.8975242 142.0481452 226.9507024 177.5387565 266.3041866 369.8114081 242.6392417 160.2489886 68.07935775 86.19247582 135.4605592 77.47180271 78.78951883 84.20532055 100.1694483 116.3812382 368.4714477 122.7973541 Ethanolamine 120.9812652 244.1298046 197.1509851 117.6705987 133.7477523 76.37567221 134.3992454 165.5681526 57.9261509 67.32649025 79.47003633 74.19857766 66.15937566 82.09013472 93.29763227 57.82491813 154.1506969 123.465304 126.1705579 82.76018556 156.1878845 113.3907892 171.4417849 177.8258217 111.9549744 136.3597844 53.07067512 65.34259687 74.83924335 68.12006592 63.30220285 60.43943954 62.81540805 55.97409376 92.04749378 86.72419328 Glycine 307.2133398 580.7608367 481.776085 223.2374682 421.4101874 208.3867926 430.1680695 615.1154927 83.59760958 89.60126388 93.31773201 101.9046189 147.219349 145.4620802 195.0956579 144.6068025 381.2991479 293.5182741 228.5919268 176.1598864 347.8722937 357.8978393 397.6151127 445.1679567 271.9032226 231.9472226 80.59251775 99.72279909 130.1732428 129.2126135 96.56234782 85.97035375 109.3628844 104.2661655 241.7714244 166.9540356 Aspartic Acid 8.931171731 11.07799373 16.29868541 9.477830939 13.55371504 8.118337644 11.95145218 26.53838276 2.128470528 2.671913183 2.665622121 2.910577958 5.670927397 5.592501303 3.859117351 4.848548503 14.00156113 13.29183658 16.42571978 14.98845276 13.3416521 13.83674869 27.74801564 20.59027334 18.27995484 8.848494725 3.561069595 4.728816901 9.125274491 4.838518513 4.755735602 2.735206857 4.111132342 5.928140261 24.94221463 4.301588745 Sarcosine 10.63337933 15.0315974 9.063755746 10.12342349 25.96704328 15.94116567 29.68138123 33.02636861 11.35611797 4.895606908 7.797815618 8.776273016 22.92434915 18.79979102 19.35395164 23.24035874 14.21155669 6.565484176 17.67836271 13.82336646 12.50285497 8.427670688 13.72863328 14.92608059 9.35079654 6.626039001 7.671494106 9.488296807 26.66470123 7.813453311 7.614626571 12.81701063 10.28233365 18.10048118 28.1015217 15.39254817 Citrulline 15.08459734 20.86620492 17.78995195 10.97887457 17.12982916 13.66330628 25.38398252 85.95236539 4.831852989 5.888254154 4.433045736 5.246955891 9.046611637 10.30974657 18.43172565 7.138329698 12.16271772 13.67661929 11.14276285 8.23419442 13.30999056 9.97445885 15.7125428 36.90620747 15.06378732 11.63912432 4.389294089 6.057236314 8.199075184 6.028902884 5.439285418 6.308716967 8.753856686 7.037958507 29.23648116 11.52624188 Glutamic Acid 41.20975059 70.29268989 66.69486238 39.09749055 42.13949143 35.43836749 51.5439396 250.9367152 11.11771042 13.36424894 11.07424057 13.58736395 22.26867815 33.00536071 52.38914961 20.4542354 41.94568896 51.29550963 36.97664872 22.50860727 40.18579209 34.17077219 55.04673046 201.007554 37.80505047 42.5511294 13.20199304 18.12343701 22.84828673 15.29468787 13.73122671 13.44211572 18.43610295 33.61149243 59.91206302 31.76496841 beta-Alanine 106.8552213 148.711165 134.6667014 67.36757731 53.11424881 31.08732805 84.75298067 164.293625 41.5728302 52.00614776 51.96247038 36.23242152 36.11005784 26.00373655 45.50733944 33.39970684 122.4943736 127.1784735 48.74640794 32.43043132 176.7026743 100.444812 178.9188113 55.33007267 40.90995176 78.16689996 37.54774022 35.16369443 37.3970916 33.49848967 51.16780088 41.29230905 30.84180887 24.1722345 23.705242 54.34509587 Threonine 222.9132483 409.3706397 319.0297353 174.990583 644.2247389 445.244981 425.970611 1595.609855 93.39661796 67.81035975 75.14393961 64.33279639 311.6033041 230.1801252 382.5335825 246.527968 232.9492707 202.5750087 478.7197878 406.4783217 236.421774 180.6359873 278.4683718 624.3373136 458.2854185 228.6398022 75.09519822 90.76378102 292.7200123 144.9406202 94.975434 132.8672329 116.7636865 411.5221943 1008.103386 272.8842529 Alanine 150.9178074 269.6939848 186.4864933 122.4332261 178.3538751 129.6184834 328.3227635 457.8429641 46.34729561 55.15386075 51.67933038 49.62063673 96.62924722 111.0972261 118.7229297 82.98972866 153.3474119 122.8002822 120.6041837 100.4271551 148.4413031 140.8061023 199.468544 278.6377689 164.1002795 150.4421252 45.91750954 53.66759558 107.1043782 62.91905439 50.80813341 58.65757979 74.0021775 78.74313789 209.2761194 79.32205693 gamma-Amino-N-butyric-acid 28.0603095 50.59144779 42.69395692 24.66233859 29.51461936 14.92856885 29.52020336 41.8365851 8.064320562 10.56444268 10.88695786 10.21001157 9.691694365 8.853046273 12.31197669 8.194588034 34.98726812 27.3977134 19.21244436 12.87082081 35.20286783 24.46084293 41.09743605 30.65544648 16.75086998 27.51600225 8.593673287 8.896046562 7.855847747 11.29002015 10.56817399 9.194866627 7.674381766 7.328101469 11.51822138 11.45045193 alpha-Aminoadipic-acid 1.268895543 2.041708366 1.762035444 0.668854025 2.110784592 1.241528458 2.370392146 4.715336847 0.156465193 0.193237381 0.187934242 0.174542536 1.107137062 1.544266622 1.886373624 0.861593446 1.23102333 0.734343497 1.059413043 0.986460531 1.043624127 1.002719962 1.627895458 2.06064018 1.845594231 0.737936615 0.171408347 0.257899502 1.644191091 0.466373359 0.299402636 0.247357484 0.38389033 1.204389723 2.216730977 1.14321001 beta-Aminoisobutyric-acid 8.861617819 13.81382728 13.42340582 7.6836764 16.40503721 6.670017577 9.492127909 16.07287175 3.424764059 4.270457236 4.044649212 3.659366465 3.41998482 4.202317948 6.721905196 4.005348077 10.97231131 9.774554264 7.648857922 6.092262965 9.000683084 6.568315261 9.237535857 8.91982004 8.182704958 8.396077767 3.220056378 2.807405063 5.36115621 5.369474183 5.175221677 3.129954102 3.252261606 3.262220491 3.99005211 6.757981999 Proline 107.1459964 214.544246 157.571433 95.50183778 79.50172401 60.34464888 123.0037012 189.417311 35.75706456 30.2522949 35.70657872 38.85736983 36.13413852 46.44442776 54.89870869 31.24543311 120.6548927 101.2466606 65.35353294 40.25500615 124.8545394 91.70340286 183.1819217 158.6789056 65.96253402 77.1411888 33.31030184 44.2246846 40.30953596 22.99995245 35.50021189 45.47249313 51.33782142 34.66908417 140.6548832 40.29208533 Hydroxylysine 1 0 0 0 0 0.071509516 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hydroxylysine 2 0.108220632 0.188532237 0.132858195 0.117313478 0.191330134 0.168234224 0.185916756 0.328447826 0.189708132 0.202758528 0.213959317 0.282865324 0.229412871 0.210122924 0.158087998 0.154916292 0.15168398 0.163040694 0.200678162 0.223971698 0.103194093 0.28768964 0.19959394 0.122040255 0.235156392 0.119396926 0.170038805 0.178800455 0.22453267 0.195301162 0.24104621 0.102558777 0.314792221 0.172121856 0.240008428 0.197143368 alpha-Amino-N-butyric-acid 0.93585241 2.256866259 1.531926406 1.332113899 3.694319874 1.856546278 3.555010493 10.47118655 0.392872884 0.530095498 0.52395884 0.415859747 1.102922094 1.119151762 2.711339412 0.988640999 1.304025853 0.99980257 1.750289322 0.954158002 1.337763078 1.122929014 2.159353754 13.13687552 2.569785099 3.307375015 0.300618955 0.448543392 1.183902926 2.642597118 0.494344193 0.683302898 0.853671028 1.167158823 3.41785811 3.847777161 Ornithine 29.16530509 38.38850073 40.18981469 9.234119833 14.82026918 10.05835193 66.41784399 91.47748728 3.014695513 9.027142455 4.86837307 3.466804696 26.41474259 5.796699983 8.578433059 10.0896076 14.43208446 13.07784111 15.55870083 9.193226711 10.8164759 13.20316591 17.26458912 15.66247502 12.0050552 8.771812266 3.283909941 3.475810102 14.8642824 5.463325143 4.208489652 7.711205554 7.286276344 5.714221179 7.290915166 4.712969002 Cystathionine 1 0.109650008 0.195320407 0.082994638 0.072567402 0.053883538 0.04945773 0.063435421 0.296303249 0.088486384 0.081876044 0.109079576 0.139692979 0.044337172 0.103557451 0.321641508 0.019253246 0.085071608 0.105897912 -0.014622831 -0.004688467 0.027883565 -0.017799451 0.022290051 0.301019465 0.050330755 -0.014871384 0.136460583 0.139772233 -0.000475426 -0.022090899 0.094679801 0.124833908 0.401793697 0.196565729 1.59638096 0.058825736 Cystathionine 2 0 0 0 0 0 0 0 0.003977438 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lysine 0.677253717 0.410427455 0.603685058 1.196381732 0.668176438 1.10030088 0.493259342 0.488194883 2.247653252 1.555999191 1.46323884 2.135077724 1.572942658 1.421353274 1.87146649 1.185031332 0.750904429 1.871201569 1.138890972 1.344262134 0.954141241 0.722225185 0.608893362 1.719563669 1.356214029 1.192695277 2.037314909 1.819961103 1.961959311 1.88439425 1.585099266 1.629782692 2.562275385 2.092900988 1.803730871 1.891096948 Cystine 5.015223051 5.190785518 4.142842892 4.916388876 8.058952587 7.826617365 4.427730436 7.05163458 4.668826076 5.183980741 4.228246854 5.507434838 5.350448887 6.520438596 8.71056753 5.610334568 5.358348275 6.136358297 10.08302545 6.908874975 4.937750586 5.584798226 8.13334293 14.72229052 12.97877669 9.392570183 4.108625495 4.497587419 7.855716378 7.524850063 4.922824545 5.477004887 6.490063313 5.651516942 10.97020513 7.470678433 Tyrosine 49.08888701 95.14792873 79.24179809 55.74674393 33.4279206 28.43042005 40.31667849 76.90098656 13.00252987 14.49814237 13.9243568 15.89443461 16.89090507 21.49812235 25.40581265 16.90105955 51.80739716 60.05533038 44.59585741 21.65800473 57.39504155 45.7180356 97.9810675 96.97793342 31.9342534 68.70687139 18.75817398 28.35100176 27.81115713 17.00582848 20.28222388 20.25800239 25.15775757 20.92065216 41.9417802 24.08505984 Methionine 182.0824913 1114.627038 731.142573 260.3118293 226.9350535 338.8243166 626.1947404 1223.236415 71.26394259 65.85837439 68.13347591 52.9962366 193.1848767 302.4656339 153.2910031 394.1914372 160.3758934 388.2661407 790.4458959 209.3971398 1616.403316 273.6137004 1314.822262 653.544597 375.104366 569.7097794 190.3785872 260.6226316 440.121543 69.21470341 134.8678311 183.3013916 328.2692711 228.3724342 675.2361522 188.2263957 Valine 49.5268748 142.7977773 87.91193273 55.95404 41.78356392 33.34202384 76.8560793 187.6700263 13.0554211 16.77871922 13.61639737 14.66830532 21.71045742 23.02128563 29.07090701 25.31090809 52.61202387 62.30139987 59.93344776 27.35552987 107.151682 62.74425524 180.2303053 145.9742153 39.11590744 76.382704 13.84570966 22.77521458 26.21702053 13.63253727 14.41393726 20.56245241 23.83102793 19.49096671 55.59167699 22.83758661 Isoleucine 39.23154963 149.66791 88.26461462 53.72261948 30.88290699 28.22015674 50.07019936 85.76331102 7.722149667 9.424212176 7.875300578 9.790422924 10.7376936 17.73373419 20.18629578 18.52239739 55.27236046 70.90338421 59.73796262 27.05685195 128.5924277 68.05138754 224.1342357 122.2046094 29.15290329 89.61138095 11.31562301 21.20342463 24.94809938 10.966814 10.77762525 12.27556765 15.77625119 13.66534682 51.63337647 19.28890792 allo-Isoleucine 5.429863712 7.814426981 3.992542707 2.574884008 1.178251087 2.97992743 25.24631911 49.82490521 0.687995039 3.174913589 1.034931025 1.074214051 13.30687979 3.298796859 1.64858971 6.912389388 2.076666939 2.533904741 2.972516358 4.73162045 0.431735589 2.796465675 1.667249337 2.789737714 2.420408756 0.175461347 0.049445115 1.773236738 0.610607303 0.243928201 0.277975385 4.491492445 3.389604539 3.969773678 0.781067287 0.445564283 Homocystine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Leucine 87.20764949 239.1899877 155.1492216 95.96189603 81.28795781 69.64199618 107.7873263 166.8725416 18.98310261 22.34842046 20.65051017 25.66497151 32.07922618 47.53845875 53.899156 37.09466074 99.61893459 123.4293077 101.4369757 57.55290716 152.2714428 107.2709093 288.2758191 201.1446947 58.38585065 148.5079918 28.05468575 46.09874946 51.27925676 29.33304209 28.45781111 29.08732663 35.99096012 33.71252685 100.3051295 44.31990424 Phenylalanine 54.13772518 148.3487058 98.2739093 68.07124685 46.8934665 37.73650608 64.0138292 99.16692323 12.84703834 15.057452 13.51393332 16.16365554 19.91223419 26.44223574 29.65036346 20.82008752 60.27230369 79.64159116 60.32391744 30.12098651 93.16025853 65.31381143 182.2583834 111.6420292 37.50334049 97.19124368 18.99080011 32.34378704 32.42508957 20.89199191 19.10394706 18.40531427 22.56151164 21.8623421 46.1053456 28.14518883 Tryptophan 15.28288377 44.05399176 28.25155726 16.5926788 10.70942068 10.07082851 16.18688914 24.26934964 3.180278451 3.652665279 3.493216827 4.549511674 4.81062928 7.163545054 7.795343649 5.858486632 17.71850204 22.04184203 17.72422697 7.839217161 31.9214219 18.08913349 50.52408947 27.25699928 8.527338219 24.04098366 4.573159299 7.955886354 8.508844776 4.402263573 4.26018055 4.402534298 6.345249831 5.061719182 13.84379767 7.017421873 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Histidine Hydroxyproline 1-Methylhistidine 3-Methylhistidine Asparagine Phosphoethanolamine Arginine Carnosine Taurine Anserine Serine Glutamine Ethanolamine Glycine Aspartic Acid Sarcosine Citrulline Glutamic Acid beta-Alanine Threonine Alanine gamma-Amino-N-butyric-acid alpha-Aminoadipic-acid beta-Aminoisobutyric-acid Proline Hydroxylysine 1 Hydroxylysine 2 alpha-Amino-N-butyric-acid Ornithine Cystathionine 1 Cystathionine 2 Lysine Cystine Tyrosine Methionine Valine Isoleucine allo-Isoleucine Homocystine Leucine Phenylalanine Tryptophan METABOLITES_END #END