#METABOLOMICS WORKBENCH araskind_20170802_131251 DATATRACK_ID:1175 STUDY_ID:ST000828 ANALYSIS_ID:AN001836 PROJECT_ID:PR000219 VERSION 1 CREATED_ON January 15, 2019, 12:36 pm #PROJECT PR:PROJECT_TITLE Metabolic regulation by PARP-1 in myofibroblast differentiation and fibrosis PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Analysis of wild type lung tissue after saline or bleomycin treatment PR:INSTITUTE University of Michigan PR:DEPARTMENT Deaprtment of Pathology PR:LABORATORY Sem H. Phan PR:LAST_NAME Hu PR:FIRST_NAME Biao PR:ADDRESS Ann Arbor, MI PR:EMAIL biaohu@med.umich.edu PR:PHONE 734-7635731 #STUDY ST:STUDY_TITLE Metabolic analysis of Parp1 ko/wt Saline & Bleo Mouse Lung Fiboblasts and Human ST:STUDY_TITLE IPF & Normal Lung Fiboblasts 3 ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Glycolysis/TCA/Nucleotide analysis (especially interested in ST:STUDY_SUMMARY alpha-ketoglutarate) and NAD+ and related metabolite analysis for all samples 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 6 ST:TOTAL_SUBJECTS 16 #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 SU0004492 S00015469 Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:N | saline/HLF:Y | wt B6:Y SUBJECT_SAMPLE_FACTORS SU0004493 S00015470 Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:N | saline/HLF:Y | wt B6:Y SUBJECT_SAMPLE_FACTORS SU0004494 S00015471 Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y SUBJECT_SAMPLE_FACTORS SU0004495 S00015472 Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y SUBJECT_SAMPLE_FACTORS SU0004496 S00015473 Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y SUBJECT_SAMPLE_FACTORS SU0004497 S00015474 Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y SUBJECT_SAMPLE_FACTORS SU0004498 S00015475 Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N SUBJECT_SAMPLE_FACTORS SU0004499 S00015476 Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N SUBJECT_SAMPLE_FACTORS SU0004500 S00015477 Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N SUBJECT_SAMPLE_FACTORS SU0004501 S00015478 Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N SUBJECT_SAMPLE_FACTORS SU0004502 S00015479 Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N SUBJECT_SAMPLE_FACTORS SU0004503 S00015480 Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N SUBJECT_SAMPLE_FACTORS SU0004504 S00015481 Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N SUBJECT_SAMPLE_FACTORS SU0004505 S00015482 Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N SUBJECT_SAMPLE_FACTORS SU0004506 S00015483 Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N SUBJECT_SAMPLE_FACTORS SU0004507 S00015484 Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A010-Ceramides.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 AN:ACQUISITION_PARAMETERS_FILE QTOF-002-HILIC-35min-1mm.m #MS MS:INSTRUMENT_NAME Agilent 6520B QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS none #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START Samples S00015469 S00015470 S00015471 S00015472 S00015473 S00015474 S00015475 S00015476 S00015477 S00015478 S00015479 S00015480 S00015481 S00015482 S00015483 S00015484 Factors Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:N | saline/HLF:Y | wt B6:Y Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:N | saline/HLF:Y | wt B6:Y Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y Sample type:Tissues | Species:Mus musculus | bleomycin/IPF:Y | saline/HLF:N | wt B6:Y Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:N | saline/HLF:Y | wt B6:N Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N Sample type:Cells | Species:Homo sapiens | bleomycin/IPF:Y | saline/HLF:N | wt B6:N PHOSPHOENOLPYRUVATE .0957662 .1273109 .262627 .1784907 .0631907 .1120064 .0970568 .2332775 .1411019 .139734 D-ERYTHROSE 4-PHOSPHATE 20.038248 18.463215 24.897075 41.339513 26.906668 18.936015 7.1859221 7.6633347 7.3595467 7.6626101 5.3614791 4.9663587 6.1584988 8.5746897 5.041 5.2846295 BETA-NAD+ .0429542 .0213538 .0553099 .0122934 .0523494 2.0001918 1.884432 1.7880502 1.4416016 1.9292067 1.3798333 1.4030294 1.1507029 1.3779033 1.5333966 COENZYME II .306565 .37369 .4093067 .2941398 .2866139 .3482391 .1601165 .1517684 .1488863 .157594 .145193 .2324267 .2723429 .2253776 .3245565 .2858331 SEDOHEPTULOSE 7-PHOSPHATE 5.9628209 6.2185794 9.420146 13.688768 9.2061606 6.6865866 .8841395 .7139528 .8641375 .7320475 .7306849 1.154272 1.2961419 1.5113028 1.5292353 1.4073574 D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE) 6.3723916 5.439822 9.3443261 15.561284 10.959178 7.0867371 11.364279 10.741573 11.156786 10.313154 11.226625 11.72122 12.380766 10.183232 9.9282018 10.864181 NADP-REDUCED .0755421 .4728172 .4615219 .5132325 .4266329 .4589753 .8275916 .8698826 .954375 .6208281 .8070651 CITRIC ACID 15.595332 16.849292 23.983276 30.592716 21.22123 18.118261 5.8991654 5.7512861 5.9812548 5.7826572 5.754673 4.2949692 4.575296 3.8840375 3.3337491 3.8567326 NADH .1592711 .116138 .1871239 .2157112 .1964078 .1747716 .7820604 1.5548812 1.6838621 1.6165801 .8676868 .3096472 .3762415 .5646147 .4539162 .3929547 ACETYL-COA .1490353 .1692829 .1256338 .0944061 .1456283 .1520306 .0325782 .0110472 .0198041 .0312529 .0276192 .0257642 .0128234 .0107122 .0165798 .0128476 FAD .563794 .5387095 .5867344 .6589072 .5708251 .488485 .0958641 .1210101 .1205986 .108877 .108084 .1980292 .1795314 .2030527 .1894987 .1953024 MALIC ACID 58.547583 61.338201 107.90417 158.99348 112.05654 77.08009 5.8923572 4.9490797 5.7228991 5.8795718 6.0309487 5.9355426 7.1125568 8.3023407 6.9307845 7.2478374 ADENOSINE TRIPHOSPHATE 1.1035712 .5494341 1.4067392 1.8128907 1.3925519 1.0409066 24.264502 22.058601 19.217528 20.123856 21.504412 11.199269 12.616523 11.129699 9.3763254 11.262628 ROBISON ESTER 32.102187 29.382406 36.974363 60.61004 41.203271 26.926794 5.6627556 3.1875173 3.2625985 2.8042734 2.953797 5.281643 5.8430044 7.5404443 3.8791709 4.7753611 SUCROSE .988763 .9008241 .9309666 1.2047016 1.4064805 .8448488 1.4053597 1.3931808 1.52942 1.4947303 1.2299552 .844104 .95206 1.4246512 .9968124 .9296339 ADENOSINE 5'-DIPHOSPHATE 5.4226688 4.6860995 7.2679813 6.4957224 7.0485665 5.495183 4.6881385 4.5222835 3.6985387 4.1268358 3.8255866 5.6181899 5.8949762 5.8488405 5.8450959 6.2206817 ADENOSINE 5'-MONOPHOSPHATE 407.22294 326.80863 139.18028 84.540786 217.29523 203.80003 28.270338 24.158615 22.726548 24.919884 24.324044 79.370131 92.896699 80.242521 117.29868 110.32047 GLYCERATE 3-PHOSPHATE .6900139 .6752874 .8682791 1.128289 1.1246906 .8061432 1.1185312 1.337023 1.5968898 1.4706157 1.0635177 1.0550395 1.1363625 1.6313113 1.3067948 1.2689223 RIBOSE PHOSPHATE 13.095815 13.163072 22.114275 40.000622 27.709286 15.878479 6.3307028 6.2182392 9.6119573 6.5955613 7.3134732 6.6111134 8.8571162 11.821992 7.2819838 9.6029894 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 PHOSPHOENOLPYRUVATE 1005 D-ERYTHROSE 4-PHOSPHATE 122357 BETA-NAD+ 15938971 COENZYME II 15938972 SEDOHEPTULOSE 7-PHOSPHATE 165007 D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE) 21125049 NADP-REDUCED 22833512 CITRIC ACID 311 NADH 439153 ACETYL-COA 444493 FAD 46906035 MALIC ACID 525 ADENOSINE TRIPHOSPHATE 5957 ROBISON ESTER 5958 SUCROSE 5988 ADENOSINE 5'-DIPHOSPHATE 6022 ADENOSINE 5'-MONOPHOSPHATE 6083 GLYCERATE 3-PHOSPHATE 724 RIBOSE PHOSPHATE 77982 METABOLITES_END #END