#METABOLOMICS WORKBENCH araskind_20170802_183923 DATATRACK_ID:1184 STUDY_ID:ST000834 ANALYSIS_ID:AN001335 STUDY_ID:ST000834 ANALYSIS_ID:AN001424 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 Amino, Aminopropyl HILIC 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 A043-TCA-Plus-20170713.pdf AN:ACQUISITION_PARAMETERS_FILE QTOF-002-HILIC-35min-1mm.m.zip #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 counts/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 GLUCONIC ACID 134938.3311 164947.053 164797.5389 153528.1354 282616.2656 563273.4519 248668.6086 356688.4933 TAURINE 2126300.101 2542316.592 2926182.51 2467712.932 3494187.169 3151416.571 2843669.021 3113260.047 XANTHINE 518505.0606 523276.7081 1237185.225 515268.3699 853620.4406 687586.9123 558769.4335 870801.4684 2'-DEOXYURIDINE 27.50729392 10.28296207 61.45387441 29.59848976 18.06973816 27.41596854 8.10278504 13.95676729 L-PROLINE 24936.0921 23978.58074 50908.84249 25404.27246 33709.46586 74606.15174 41117.62398 37851.2768 UDP-GLUCURONIC ACID 8894.911391 11377.99524 5120.426308 11449.73273 7200.298653 7653.462313 11385.56131 11925.38522 ACETYLPHOSPHATE 7907.655242 10488.71701 25432.56437 9434.495283 30235.05066 7197.575124 6754.748112 20206.23575 L-GLUTAMIC ACID 283947.9419 317139.548 440112.4974 315552.6265 441550.6729 524948.8767 424158.0434 455810.5746 UDP-N-ACETYLGLUCOSAMINE 198556.6924 213931.1056 223480.7245 206332.9826 215634.8722 150459.3718 232010.9118 206212.6077 STEARIC ACID 373533.0376 464952.2573 747564.9543 508023.2137 607125.583 649189.2535 441050.5108 664940.0955 UDPGLUCOSE 94700.95828 113961.9776 94102.3691 107664.397 91538.53888 74134.26231 106807.2283 100559.9097 D-GLUCOSE 585417.4193 585161.864 862207.8569 615036.4673 749222.6644 470666.7821 747078.9845 538239.6008 L-ALANINE 393.0426428 406.7557068 484.3325329 1164.778866 204.1290794 446.7656748 1498.796561 487.9145882 L-ASPARTIC ACID 76451.00329 73614.48673 138816.3652 86635.13044 100427.3532 126021.6367 98487.24968 93961.70378 L-GLUTAMINE 189734.6989 235419.7874 314288.2061 234802.2685 293669.7527 226137.3783 223046.4855 273399.1216 L-LYSINE 5368.183884 860.2112801 13629.30117 9694.504084 10711.01337 24940.1781 12030.49816 9036.480874 INOSINE 1421557.386 1090707.518 1453462.713 1681180.738 1474679.35 995770.0299 617268.8303 1080167.071 URIDYLIC ACID 199706.315 225356.2104 185976.3376 292961.2612 339056.4968 227082.8662 220851.6228 293716.1773 URIDINE 5'-DIPHOSPHATE 6919.331777 4813.491123 1793.973556 6039.693677 4164.220228 2390.670971 4802.849677 2542.141154 L-TYROSINE 21169.81842 26532.18786 74987.55537 22660.33374 49274.9118 92069.18728 52738.6245 61196.28802 5'-CYTIDYLIC ACID 9031.582294 12910.38069 15668.23881 13549.19991 19799.03925 15529.00079 11243.69601 20995.85311 URIDINE 5'-TRIPHOSPHATE 140.9188088 133.43688 74.67853809 161.0082191 141.335163 40.51800762 246.3014409 68.18471274 L-METHIONINE 3150.176316 4268.98256 10788.0631 1739.390869 5295.436424 9791.018116 6356.914426 7063.448861 L-PHENYLALANINE 19342.84739 24461.90315 74596.35027 18812.36433 38492.22711 71464.69065 41204.0245 59260.01355 DL-SERINE 19724.90301 23143.50206 44034.14713 21339.81314 31778.82456 40774.60184 27658.0931 36691.64187 L-ORNITHINE 36239.91828 37820.28815 69008.77255 25100.85257 43581.43352 56852.10119 23162.27703 47267.74739 L-ASPARAGINE 23720.62936 29207.8166 70915.27266 26109.61821 43535.37298 64405.8028 37224.08865 56742.74242 L-HISTIDINE 53750.10614 55929.28052 195735.9403 58551.94934 109525.7398 266796.6855 104315.4587 152582.6281 L-VALINE 258629.4025 294413.8376 377954.7988 287323.6389 434367.2831 254844.7671 292150.9892 334624.1922 L-THREONINE 18179.70777 24256.86945 38349.92265 24380.13194 31985.87498 30720.55316 22495.19996 34867.98972 L-TRYPTOPHAN 5771.258967 7474.01782 18288.94506 6513.413912 9722.223052 21005.74952 11804.58233 14806.92703 L-ISOLEUCINE 55444.15323 61613.46114 219852.4748 54747.68642 97737.01671 204060.2779 130637.5999 145515.0448 L-ARGININE 22929.42063 30200.22751 106577.2967 22975.48015 49959.59065 77312.45645 38935.03785 75779.29644 D-PANTOTHENIC ACID 208078.1218 195483.1889 473580.2134 256155.3286 440386.9875 400862.5875 263346.4635 230270.9517 5'-GUANYLIC ACID 117636.9971 127339.4018 113767.4235 137098.6553 152277.5722 99129.80176 121292.6411 138110.6532 3-GLYCEROPHOSPHATE 21152.60405 15983.18855 10512.29547 29329.26938 23363.12133 22838.27594 32982.85827 12149.12357 HYPOXANTHINE 175942.8142 180503.3512 1059243.368 199285.6839 393692.8267 508537.7162 242444.5073 245959.2499 INOSINIC ACID 542012.8894 544978.9095 481730.697 552771.0447 821275.7845 584674.0628 731988.1203 622537.1338 GUANOSINE DIPHOSPHATE 5353.007393 4957.493389 3965.830712 6004.339615 5733.110338 3521.065963 3343.726882 5438.142639 DL-HOMOCYSTEIC ACID 3818.89598 2058.756025 9492.423149 3398.571269 8301.568936 2519.387762 2744.371333 5086.749856 L-GLUTATHIONE (OXIDIZED) 5476.408735 5803.558393 178.0059448 5757.59781 367.8552559 1077.32115 77.90716406 194.4882737 L-CITRULLINE 5235.437174 5581.710953 7152.107351 5193.37058 5703.950887 6037.200291 4935.982641 6114.067339 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 GLUCONIC ACID 10690 TAURINE 1123 XANTHINE 1188 2'-DEOXYURIDINE 13712 L-PROLINE 145742 UDP-GLUCURONIC ACID 17473 ACETYLPHOSPHATE 186 L-GLUTAMIC ACID 33032 UDP-N-ACETYLGLUCOSAMINE 445675 STEARIC ACID 5281 UDPGLUCOSE 53477679 D-GLUCOSE 5793 L-ALANINE 5950 L-ASPARTIC ACID 5960 L-GLUTAMINE 5961 L-LYSINE 5962 INOSINE 6021 URIDYLIC ACID 6030 URIDINE 5'-DIPHOSPHATE 6031 L-TYROSINE 6057 5'-CYTIDYLIC ACID 6131 URIDINE 5'-TRIPHOSPHATE 6133 L-METHIONINE 6137 L-PHENYLALANINE 6140 DL-SERINE 617 L-ORNITHINE 6262 L-ASPARAGINE 6267 L-HISTIDINE 6274 L-VALINE 6287 L-THREONINE 6288 L-TRYPTOPHAN 6305 L-ISOLEUCINE 6306 L-ARGININE 6322 D-PANTOTHENIC ACID 6613 5'-GUANYLIC ACID 6804 3-GLYCEROPHOSPHATE 754 HYPOXANTHINE 790 INOSINIC ACID 8582 GUANOSINE DIPHOSPHATE 8977 DL-HOMOCYSTEIC ACID 92117 L-GLUTATHIONE (OXIDIZED) 975 L-CITRULLINE 9750 METABOLITES_END #END