#METABOLOMICS WORKBENCH araskind_20150606_9936991_mwtab.txt DATATRACK_ID:277 STUDY_ID:ST000180 ANALYSIS_ID:AN000278 PROJECT_ID:PR000155 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE PASMC metabolism PR:PROJECT_SUMMARY Comparison of metabolic attributes of vascular smooth muscle cells PR:INSTITUTE University of California, San Francisco PR:DEPARTMENT Pediatrics PR:LABORATORY Maltepe Lab PR:LAST_NAME Maltepe PR:FIRST_NAME Emin PR:ADDRESS San Francisco, CA PR:EMAIL Emin.Maltepe@ucsf.edu PR:PHONE 415-476-9313 #STUDY ST:STUDY_TITLE 2 lines of pulmonary artery smooth muscle cells metabolic profile central ST:STUDY_TITLE profile) ST:STUDY_TYPE 2 lines of pulmonary artery smooth muscle cells which has been snap frozen ST:STUDY_TYPE active growth phase ST:STUDY_SUMMARY 2 lines of pulmonary artery smooth muscle cells which has been snap frozen ST:STUDY_SUMMARY active growth phase 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@umich.edu ST:PHONE - ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 10 #SUBJECT SU:SUBJECT_TYPE - SU:SUBJECT_SPECIES Ovis aries SU:TAXONOMY_ID 9940 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0004259 S00015062 Animal:control SUBJECT_SAMPLE_FACTORS SU0004259 S00015063 Animal:control SUBJECT_SAMPLE_FACTORS SU0004259 S00015064 Animal:control SUBJECT_SAMPLE_FACTORS SU0004259 S00015065 Animal:control SUBJECT_SAMPLE_FACTORS SU0004259 S00015066 Animal:control SUBJECT_SAMPLE_FACTORS SU0004258 S00015057 Animal:shunt SUBJECT_SAMPLE_FACTORS SU0004258 S00015058 Animal:shunt SUBJECT_SAMPLE_FACTORS SU0004258 S00015059 Animal:shunt SUBJECT_SAMPLE_FACTORS SU0004258 S00015060 Animal:shunt SUBJECT_SAMPLE_FACTORS SU0004258 S00015061 Animal:shunt #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Cells #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Gly-TCA-nucleotides_analysis_protocol-2015-03-09.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) CH:METHODS_ID AQM020 CH:METHODS_FILENAME QTOF-002-HILIC-35min-1mm.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE Column1_solv1_jetstream+_grad9.m.zip AN:PROCESSING_PARAMETERS_FILE EX00314-MassHunterQuant-GlyTCA-DataAnalysis-LCMS-Method.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/µg protein MS_METABOLITE_DATA_START Samples S00015062 S00015063 S00015064 S00015065 S00015066 S00015057 S00015058 S00015059 S00015060 S00015061 Factors Animal:control Animal:control Animal:control Animal:control Animal:control Animal:shunt Animal:shunt Animal:shunt Animal:shunt Animal:shunt 2 or 3-phosphoglycerate_2PG/3PG 48.6919 36.1318 38.0431 16.1508 38.8340 23.8049 27.0455 29.3907 25.9625 22.4528 6-Phosphogluconate 22.7507 32.5283 35.8260 17.1724 53.7559 24.2885 27.8841 28.9897 22.7576 17.5832 Acetyl-CoA 0.0000 0.0000 0.0000 9.9504 0.0000 14.4820 15.6710 15.9248 12.8697 10.9205 ADP 178.9404 249.0106 403.2381 133.2551 376.9105 274.7866 248.4811 228.6233 253.5171 237.6377 AMP 6525.2975 8685.2692 7900.0965 2904.8586 9414.5435 3796.1935 4101.7606 7156.7213 4040.3550 3451.6925 ATP 210.3101 269.9177 539.8877 153.2852 381.1617 399.0989 389.7756 265.2180 339.3136 376.5612 Citrate or Isocitrate 1405.3925 2653.2942 2542.8033 1037.3278 2514.4100 2129.4087 1973.0097 3405.6169 2388.8124 2069.3806 erythrose 13.9830 29.7291 13.5914 2.3766 27.6395 57.3038 57.6539 123.3830 81.7633 91.3533 Erythrose 4-phosphate 44.4522 23.6694 47.2754 9.2135 135.2540 73.8532 74.1776 93.5619 83.5668 62.2327 flavin adenine dinucleotide 6.0728 7.0429 8.8191 3.9447 9.9128 6.1415 6.5131 6.9876 5.7115 4.9918 Fructose 1_6-bisphosphate 133.5298 215.3424 200.4009 84.9031 315.4933 119.6287 102.4596 128.5702 87.7802 68.3324 Glucose 6-phosphate or fructose-6-phosphate 48.4288 47.4083 55.5268 23.6408 189.5956 36.5476 38.3599 43.8242 34.7087 30.2544 guanosine 5^-diphosphate 76.6628 112.8071 182.4592 68.2008 171.5536 138.9090 131.4053 103.0619 127.0014 90.1189 guanosine 5^-monophosphate 58.4814 53.7561 59.1655 23.0711 74.2520 29.6075 31.2186 45.0043 29.2273 17.7014 guanosine 5^-triphosphate 27.2441 33.2753 59.5215 21.6712 51.3249 43.2443 47.7743 34.8416 40.3342 33.1801 Malate 820.2134 1021.1778 1037.5492 356.5083 1125.1810 480.3729 409.5263 683.4862 537.5874 402.7450 Nicotinamide Adenine Dinucleotide oxidized 61.2351 76.0610 94.1489 40.7279 105.4789 81.2584 78.2746 89.8140 74.6251 60.9247 nicotinamide adenine dinucleotide phosphate oxidized 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.8750 3.8038 5.1255 3.5842 nicotinamide adenine dinucleotide phosphate reduced 37.0461 32.4745 41.3222 17.5427 56.7972 34.4813 25.5886 28.5791 20.0436 18.1555 Nicotinamide Adenine Dinucleotide reduced 18.3383 20.9064 24.9092 12.6919 30.3353 19.8654 19.8386 21.0943 16.5828 13.7907 Phosphoenolpyruvate 48.1598 58.0566 63.3946 29.4268 76.3683 42.1451 47.2341 51.0803 39.1024 35.3924 Ribose-5-phosphate or xylulose 5-phosphate 34.2945 94.6451 99.3838 27.8889 85.5495 139.6774 122.1012 170.2551 122.0082 100.9395 sedoheptulose 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate 30.7111 33.3272 43.2343 12.5210 52.6294 51.8399 56.3449 81.3252 53.3996 52.1527 Sucrose 172.1986 222.2053 211.6531 82.7879 237.5883 197.3873 177.8432 305.6388 225.9020 182.0341 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 2 or 3-phosphoglycerate_2PG/3PG 724 2PG/3PG UM_Target_ID 6-Phosphogluconate 91493 6PG UM_Target_ID Acetyl-CoA 444493 aCoA UM_Target_ID ADP 6022 ADP UM_Target_ID AMP 6083 AMP UM_Target_ID ATP 5957 ATP UM_Target_ID Citrate or Isocitrate 311 CIT/ICIT UM_Target_ID erythrose 94176 ERY UM_Target_ID Erythrose 4-phosphate 122357 E4P UM_Target_ID flavin adenine dinucleotide 46906035 FAD UM_Target_ID Fructose 1,6-bisphosphate 21125049 FBP UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P UM_Target_ID guanosine 5'-diphosphate 8977 GDP UM_Target_ID guanosine 5'-monophosphate 6804 GMP UM_Target_ID guanosine 5'-triphosphate 6830 GTP UM_Target_ID Malate 525 MAL UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized 15938971 NAD UM_Target_ID nicotinamide adenine dinucleotide phosphate oxidized 15938972 NADP UM_Target_ID nicotinamide adenine dinucleotide phosphate reduced 22833512 NADPH UM_Target_ID Nicotinamide Adenine Dinucleotide reduced 439153 NADH UM_Target_ID Phosphoenolpyruvate 1005 PEP UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate 77982 R5P/X5P UM_Target_ID sedoheptulose 5459879 SED UM_Target_ID Sedoheptulose 7-phosphate 165007 S7P UM_Target_ID Sucrose 5988 SUC UM_Target_ID METABOLITES_END #END