#METABOLOMICS WORKBENCH araskind_20150415_9913561_mwtab.txt DATATRACK_ID:237 STUDY_ID:ST000161 ANALYSIS_ID:AN000253 PROJECT_ID:PR000140 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Human AxP PR:PROJECT_SUMMARY Plasma Nucleotide/adenosine concentrations PR:INSTITUTE University of Michigan PR:DEPARTMENT Internal Medicine-Cardiology PR:LABORATORY Visovatti Lab PR:LAST_NAME Visovatti PR:FIRST_NAME Scott PR:ADDRESS Ann Arbor, MI PR:EMAIL shv@med.umich.edu PR:PHONE 734-657-6917 #STUDY ST:STUDY_TITLE Plasma Nucleotide/adenosine concentrations (Human AxP Batch 3) ST:STUDY_TYPE Exercise and rest ST:STUDY_SUMMARY This experiment was performed using the following cohorts: 1) healthy controls, ST:STUDY_SUMMARY patients with scleroderma at low risk for pulmonary hypertension, 3) pateints ST:STUDY_SUMMARY scleroderma at high risk for pulmonary hypertension. Whole blood was drawn ST:STUDY_SUMMARY into stop soilution (1:1 ratio) at rest and again at peak exercise for each ST:STUDY_SUMMARY subject. 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 4 ST:TOTAL_SUBJECTS 24 #SUBJECT SU:SUBJECT_TYPE - SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0005218 S00016692 Exercise:no | Group:Healthy SUBJECT_SAMPLE_FACTORS SU0005219 S00016694 Exercise:no | Group:Healthy SUBJECT_SAMPLE_FACTORS SU0005220 S00016696 Exercise:no | Group:Healthy SUBJECT_SAMPLE_FACTORS SU0005226 S00016708 Exercise:no | Group:Healthy SUBJECT_SAMPLE_FACTORS SU0005216 S00016688 Exercise:no | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005217 S00016690 Exercise:no | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005221 S00016698 Exercise:no | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005222 S00016700 Exercise:no | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005223 S00016702 Exercise:no | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005224 S00016704 Exercise:no | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005225 S00016706 Exercise:no | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005227 S00016710 Exercise:no | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005218 S00016693 Exercise:yes | Group:Healthy SUBJECT_SAMPLE_FACTORS SU0005219 S00016695 Exercise:yes | Group:Healthy SUBJECT_SAMPLE_FACTORS SU0005220 S00016697 Exercise:yes | Group:Healthy SUBJECT_SAMPLE_FACTORS SU0005226 S00016709 Exercise:yes | Group:Healthy SUBJECT_SAMPLE_FACTORS SU0005216 S00016689 Exercise:yes | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005217 S00016691 Exercise:yes | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005221 S00016699 Exercise:yes | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005222 S00016701 Exercise:yes | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005223 S00016703 Exercise:yes | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005224 S00016705 Exercise:yes | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005225 S00016707 Exercise:yes | Group:SSc-high SUBJECT_SAMPLE_FACTORS SU0005227 S00016711 Exercise:yes | Group:SSc-high #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Plasma #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 AQM015 CH:METHODS_FILENAME QQQ-ATP,ADP,AMP,A-Insert.m #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE QQQ-ATP,ADP,AMP,A-Insert.m AN:PROCESSING_PARAMETERS_FILE EX00370-Nucleotides-Quant.m #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6520 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nM MS_METABOLITE_DATA_START Samples S00016692 S00016694 S00016696 S00016708 S00016688 S00016690 S00016698 S00016700 S00016702 S00016704 S00016706 S00016710 S00016693 S00016695 S00016697 S00016709 S00016689 S00016691 S00016699 S00016701 S00016703 S00016705 S00016707 S00016711 Factors Exercise:no | Group:Healthy Exercise:no | Group:Healthy Exercise:no | Group:Healthy Exercise:no | Group:Healthy Exercise:no | Group:SSc-high Exercise:no | Group:SSc-high Exercise:no | Group:SSc-high Exercise:no | Group:SSc-high Exercise:no | Group:SSc-high Exercise:no | Group:SSc-high Exercise:no | Group:SSc-high Exercise:no | Group:SSc-high Exercise:yes | Group:Healthy Exercise:yes | Group:Healthy Exercise:yes | Group:Healthy Exercise:yes | Group:Healthy Exercise:yes | Group:SSc-high Exercise:yes | Group:SSc-high Exercise:yes | Group:SSc-high Exercise:yes | Group:SSc-high Exercise:yes | Group:SSc-high Exercise:yes | Group:SSc-high Exercise:yes | Group:SSc-high Exercise:yes | Group:SSc-high Adenosine 56.9800 67.6400 68.3000 92.8300 41.9600 64.9300 43.7700 67.1300 64.0900 58.3700 59.5100 37.3600 44.6500 66.5800 45.2200 65.2900 38.9800 55.8500 71.7900 68.2400 64.9500 61.2600 53.0800 45.1000 ADP 264.6300 446.7300 278.9000 239.3300 151.7000 454.6900 395.2700 347.7900 430.7200 245.4900 252.1300 148.2200 193.5200 209.7800 188.0800 152.0500 204.6400 296.3400 401.8600 692.2700 366.9900 191.7800 379.8500 331.2000 AMP 162.6100 101.7200 179.6100 185.0800 147.2800 101.9500 145.5300 186.8400 134.6900 117.1200 143.2100 183.5800 187.4400 137.1300 122.9200 178.7200 182.0000 149.0100 153.8300 128.2500 71.5200 147.3400 85.3500 106.4300 ATP 699.2700 1064.7800 870.2400 868.2300 413.9500 1182.1200 1397.4600 1090.8700 909.6400 722.1100 587.5200 516.7900 530.1000 579.3500 514.4100 441.9800 602.7700 778.6200 1418.4600 1618.4500 591.2600 490.6500 1037.9800 454.5600 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 Adenosine 60961 Adenosine UM_Target_ID ADP 6022 ADP UM_Target_ID AMP 6083 AMP UM_Target_ID ATP 5957 ATP UM_Target_ID METABOLITES_END #END