#METABOLOMICS WORKBENCH araskind_20170619_184834 DATATRACK_ID:1066 STUDY_ID:ST000762 ANALYSIS_ID:AN001200 PROJECT_ID:PR000550
VERSION 1
CREATED_ON July 4, 2017, 3:22 pm
#PROJECT
PR:PROJECT_TITLE Scleroderma and exercise
PR:PROJECT_TYPE MS analysis
PR:PROJECT_SUMMARY Plasma Nucleotide/adenosine concentrations in patiens with scleroderma depending
PR:PROJECT_SUMMARY on exercise
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 in patiens with scleroderma depending
ST:STUDY_TITLE on exercise
ST:STUDY_TYPE MS analysis
ST:STUDY_SUMMARY This experiment was performed using the following cohorts: 1) healthy controls,
ST:STUDY_SUMMARY 2) patients with scleroderma at low risk for pulmonary hypertension, 3) pateints
ST:STUDY_SUMMARY with scleroderma at high risk for pulmonary hypertension ("SSc Cath"). Whole
ST:STUDY_SUMMARY blood was drawn directly into stop soilution (1:1 ratio) at rest and again at
ST:STUDY_SUMMARY peak exercise for each human subject. The samples were processed to plasma by
ST:STUDY_SUMMARY MCRU and stored at -80 in the Biorepository.
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 5
ST:TOTAL_SUBJECTS 26
#SUBJECT
SU:SUBJECT_TYPE Human
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 SU0012506 S00019091 Exercise:No | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012506 S00019092 Exercise:Yes | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012507 S00019093 Exercise:No | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012507 S00019094 Exercise:Yes | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012508 S00019095 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012508 S00019096 Exercise:Yes | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012509 S00019097 Exercise:No | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012509 S00019098 Exercise:Yes | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012510 S00019099 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012510 S00019100 Exercise:Yes | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012511 S00019101 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012511 S00019102 Exercise:Yes | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012512 S00019103 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012512 S00019104 Exercise:Yes | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012513 S00019105 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012514 S00019106 Exercise:No | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012514 S00019107 Exercise:Yes | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012515 S00019108 Exercise:No | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012515 S00019109 Exercise:Yes | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012516 S00019110 Exercise:No | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012516 S00019111 Exercise:Yes | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012517 S00019112 Exercise:No | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012517 S00019113 Exercise:Yes | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012518 S00019114 Exercise:No | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012518 S00019115 Exercise:Yes | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012519 S00019116 Exercise:No | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012519 S00019117 Exercise:Yes | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012520 S00019118 Exercise:No | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012520 S00019119 Exercise:Yes | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012521 S00019120 Exercise:No | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012521 S00019121 Exercise:Yes | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012522 S00019122 Exercise:No | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012522 S00019123 Exercise:Yes | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012523 S00019124 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012523 S00019125 Exercise:Yes | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012524 S00019126 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012524 S00019127 Exercise:Yes | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012525 S00019128 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012525 S00019129 Exercise:Yes | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012526 S00019130 Exercise:No | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012526 S00019131 Exercise:Yes | Group:Low Risk SSc
SUBJECT_SAMPLE_FACTORS SU0012527 S00019132 Exercise:No | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012527 S00019133 Exercise:Yes | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012528 S00019134 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012528 S00019135 Exercise:Yes | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012529 S00019136 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012529 S00019137 Exercise:Yes | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012530 S00019138 Exercise:No | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012530 S00019139 Exercise:Yes | Group:Healthy
SUBJECT_SAMPLE_FACTORS SU0012505 S00019140 Exercise:No | Group:SSc Cath
SUBJECT_SAMPLE_FACTORS SU0012505 S00019141 Exercise:Yes | Group:SSc Cath
#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 nM
MS_METABOLITE_DATA_START
Samples S00019091 S00019092 S00019093 S00019094 S00019095 S00019096 S00019097 S00019098 S00019099 S00019100 S00019101 S00019102 S00019103 S00019104 S00019105 S00019106 S00019107 S00019108 S00019109 S00019110 S00019111 S00019112 S00019113 S00019114 S00019115 S00019116 S00019117 S00019118 S00019119 S00019120 S00019121 S00019122 S00019123 S00019124 S00019125 S00019126 S00019127 S00019128 S00019129 S00019130 S00019131 S00019132 S00019133 S00019134 S00019135 S00019136 S00019137 S00019138 S00019139 S00019140 S00019141
Factors Exercise:No | Group:Low Risk SSc Exercise:Yes | Group:Low Risk SSc Exercise:No | Group:Low Risk SSc Exercise:Yes | Group:Low Risk SSc Exercise:No | Group:SSc Cath Exercise:Yes | Group:SSc Cath Exercise:No | Group:Low Risk SSc Exercise:Yes | Group:Low Risk SSc Exercise:No | Group:SSc Cath Exercise:Yes | Group:SSc Cath Exercise:No | Group:SSc Cath Exercise:Yes | Group:SSc Cath Exercise:No | Group:SSc Cath Exercise:Yes | Group:SSc Cath Exercise:No | Group:SSc Cath Exercise:No | Group:Healthy Exercise:Yes | Group:Healthy Exercise:No | Group:Healthy Exercise:Yes | Group:Healthy Exercise:No | Group:Healthy Exercise:Yes | Group:Healthy Exercise:No | Group:Low Risk SSc Exercise:Yes | Group:Low Risk SSc Exercise:No | Group:Healthy Exercise:Yes | Group:Healthy Exercise:No | Group:Healthy Exercise:Yes | Group:Healthy Exercise:No | Group:Healthy Exercise:Yes | Group:Healthy Exercise:No | Group:Healthy Exercise:Yes | Group:Healthy Exercise:No | Group:Low Risk SSc Exercise:Yes | Group:Low Risk SSc Exercise:No | Group:SSc Cath Exercise:Yes | Group:SSc Cath Exercise:No | Group:SSc Cath Exercise:Yes | Group:SSc Cath Exercise:No | Group:SSc Cath Exercise:Yes | Group:SSc Cath Exercise:No | Group:Low Risk SSc Exercise:Yes | Group:Low Risk SSc Exercise:No | Group:Healthy Exercise:Yes | Group:Healthy Exercise:No | Group:SSc Cath Exercise:Yes | Group:SSc Cath Exercise:No | Group:SSc Cath Exercise:Yes | Group:SSc Cath Exercise:No | Group:Healthy Exercise:Yes | Group:Healthy Exercise:No | Group:SSc Cath Exercise:Yes | Group:SSc Cath
URIC ACID 340156 265221 290932 265672 301220 306055 535890 445523 290138 287195 252637 418954 323372 600245 353175 251925 228303 284296 186980 306945 245217 248744 237331 196839 196109 221973 249116 258525 210777 286147 216195 298705 209665 208239 224796 259326 231063 245648 236800 255914 297798 247060 385045 382485 285154 305608 302786 280457 305451 272786 309886
ADENOSINE TRIPHOSPHATE 586.369 439.788 1909.01 328.413 840.921 1022.39 637.504 176.014 513.219 417.366 292.339 270.269 360.87 1434.29 657.508 282.9 402.364 710.093 698.23 965.497 422.194 438.683 159.866 859.423 190.425 726.933 230.381 851.182 273.828 503.852 539.603 583.261 336.527 668.043 1570.19 539.756 807.828 305.054 242.474 548.261 375.627 747.282 517.887 226.825 133.577 349.067 1524.91 406.699 413.077 309.975 588.098
INOSINE 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
ADENOSINE 5'-DIPHOSPHATE 173.65 169.334 370.603 123.893 241.735 342.06 251.541 169.726 190.345 141.197 59.3571 68.7061 125.903 1092.73 197.896 81.4813 96.9783 168.254 150.145 184.821 115.673 109.863 114.185 192.308 57.635 208.173 66.6005 127.438 60.2461 136.419 133.2 187.321 101.675 152.476 1385.34 174.494 188.286 73.4136 67.117 139.307 96.8041 144.781 215.224 59.3144 40.97 106.452 1535.3 90.1108 135.695 127.772 167.16
CAMP 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
ADENOSINE 5'-MONOPHOSPHATE 41.5142 37.5359 113.095 23.7693 46.1608 90.9125 52.7598 45.9789 34.6623 44.728 15.1228 25.2183 33.5439 366.115 43.5321 45.3917 65.8413 34.7739 92.3138 30.8528 32.7642 42.3238 80.2656 76.4128 20.2744 60.5476 28.5693 47.5315 17.441 71.9177 71.9991 96.4113 59.5576 56.7422 858.241 42.6662 66.9759 21.292 33.0025 101.992 66.7483 49.0693 122.252 14.4134 12.5148 46.8442 1283.66 53.3643 84.5241 25.4885 47.7504
ADENOSINE 69.7503435 39.8266383 81.9735464 86.6756286 39.1457133 53.8905223 38.3101025 23.3851362 21.1553637 36.0830428 19.8242108 44.487366 42.4757363 6.40628447 50.7232392 19.2539 26.8492957 51.7667399 35.1197964 71.1002256 45.334809 12.2400114 26.6781532 25.4866109 12.1700676 14.333355 13.9128464 56.9226936 15.4519913 86.6394483 83.9415444 31.7705122 22.8647786 23.4893714 145.542191 14.6828437 31.2134189 44.7880176 22.4526845 46.3483162 30.6204296 19.6667109 63.2191263 12.8864853 11.3841516 30.5566384 308.91531 33.7969456 41.0179947 44.4522492 48.211185
HYPOXANTHINE 0 0 0 359.6479215 0 469.1707485 0 0 0 410.2466677 0 517.6804976 0 0 299.8015818 0 0 323.3515222 1419.944095 677.5074658 233.2553524 0 0 0 0 0 0 548.6443064 308.6425562 729.2997393 242.294119 0 0 0 201.9891568 426.0870789 432.5347573 349.0106236 0 0 311.532215 0 0 0 0 0 0 0 0 0 213.6308965
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
URIC ACID 1175
ADENOSINE TRIPHOSPHATE 5957
INOSINE 6021
ADENOSINE 5'-DIPHOSPHATE 6022
CAMP 6076
ADENOSINE 5'-MONOPHOSPHATE 6083
ADENOSINE 60961
HYPOXANTHINE 790
METABOLITES_END
#END