#METABOLOMICS WORKBENCH araskind_20150414_9032271_mwtab.txt DATATRACK_ID:236 STUDY_ID:ST000160 ANALYSIS_ID:AN000252 PROJECT_ID:PR000139 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Basic Metabolism Studies PR:PROJECT_SUMMARY Comparing basic metabolism PR:INSTITUTE University of Michigan PR:DEPARTMENT Internal Medicine/Cardiology PR:LABORATORY Lawrence Lab PR:LAST_NAME Lawrence PR:FIRST_NAME Daniel PR:ADDRESS Ann Arbor, MI PR:EMAIL dlawrenc@umich.edu PR:PHONE 734-763-7838 #STUDY ST:STUDY_TITLE Basic Metabolism Studies (wt and TPA null) ST:STUDY_TYPE compare basic metabolism between wildtype and tPA null mice in brain tissue ST:STUDY_SUMMARY compare basic metabolism between wildtype and tPA null mice in brain tissue 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 1 ST:TOTAL_SUBJECTS 10 #SUBJECT SU:SUBJECT_TYPE - SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0005252 S00016753 Tissue type:brain SUBJECT_SAMPLE_FACTORS SU0005253 S00016754 Tissue type:brain SUBJECT_SAMPLE_FACTORS SU0005254 S00016755 Tissue type:brain SUBJECT_SAMPLE_FACTORS SU0005255 S00016756 Tissue type:brain SUBJECT_SAMPLE_FACTORS SU0005256 S00016757 Tissue type:brain SUBJECT_SAMPLE_FACTORS SU0005257 S00016758 Tissue type:brain SUBJECT_SAMPLE_FACTORS SU0005258 S00016759 Tissue type:brain SUBJECT_SAMPLE_FACTORS SU0005259 S00016760 Tissue type:brain SUBJECT_SAMPLE_FACTORS SU0005260 S00016761 Tissue type:brain SUBJECT_SAMPLE_FACTORS SU0005261 S00016762 Tissue type:brain #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Brain #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Acyl-carnitines_analysis_protocol-2015-03-11.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Waters XBridge C18 (50 x 2.1mm, 3um) CH:METHODS_ID AQM040 CH:METHODS_FILENAME QM-004-Xbridg2mm_ACar+_MRM-Insert.m #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE QM-004-Xbridg2mm_ACar+_MRM-Insert.m AN:PROCESSING_PARAMETERS_FILE EX00374-AcylCarnitines-Quant.m #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Std. response ratio MS_METABOLITE_DATA_START Samples S00016753 S00016754 S00016755 S00016756 S00016757 S00016758 S00016759 S00016760 S00016761 S00016762 Factors Tissue type:brain Tissue type:brain Tissue type:brain Tissue type:brain Tissue type:brain Tissue type:brain Tissue type:brain Tissue type:brain Tissue type:brain Tissue type:brain 3-hydroxylauroylcarnitine 0.0340 0.0682 0.1455 0.0830 0.0801 0.0720 0.1226 0.0943 0.0894 0.0727 3-Hydroxylinoleoylcarnitine 0.0179 0.0161 0.0237 0.0200 0.0311 0.0195 0.0183 0.0180 0.0215 0.0240 3-hydroxymyristoylcarnitine 0.0560 0.1379 0.2909 0.1519 0.1623 0.1172 0.2167 0.1514 0.1625 0.1302 3-Hydroxypalmitoylcarnitine 0.0334 0.0859 0.2785 0.1109 0.1065 0.0757 0.1277 0.0956 0.1141 0.0962 Acetylcarnitine 10.4243 14.7027 27.7458 18.5171 17.7236 19.0080 20.8626 16.2513 15.5189 16.3571 arachidonoylcarnitine 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 butyrylcarnitine 0.9483 2.1999 5.0181 2.4836 3.2838 2.3506 2.8190 1.9933 2.0588 1.7993 Decanoylcarnitine 0.0807 0.2132 0.4582 0.1444 0.2157 0.1717 0.2328 0.1392 0.1578 0.1472 decenoylcarnitine 0.0055 0.0147 0.1373 0.0191 0.0192 0.0133 0.0209 0.0150 0.0239 0.0213 Dodecenoylcarnitine 0.0310 0.1323 0.1173 0.0913 0.0740 0.0958 0.0998 0.0723 0.0636 0.0718 Glutarylcarnitine 0.0001 0.0002 0.0000 0.0003 0.0002 0.0001 0.0002 0.0002 0.0001 0.0000 Hexanoylcarnitine 0.0516 0.1460 0.5262 0.1930 0.1692 0.1674 0.2252 0.2478 0.2026 0.1716 icosadienoylcarnitine 0.0161 0.0146 0.0164 0.0149 0.0152 0.0137 0.0135 0.0213 0.0127 0.0107 Icosanoylcarnitine 0.0024 0.0025 0.0032 0.0017 0.0029 0.0015 0.0031 0.0030 0.0028 0.0020 icosatrienoylcarnitine 0.0035 0.0027 0.0018 0.0021 0.0031 0.0025 0.0026 0.0033 0.0028 0.0028 icoseneoylcarnitine 0.0000 0.0010 0.0000 0.0024 0.0000 0.0000 0.0000 0.0000 0.0000 0.0021 isovalerylcarnitine 0.6709 1.2963 4.3469 1.8808 2.5405 1.7838 2.1345 1.4679 1.6756 1.1869 lauroylcarnitine 0.7741 1.7414 2.2009 1.4890 1.5266 1.6275 1.9764 1.3247 1.2224 1.3159 L-Carnitine 13.2021 23.7003 70.8479 35.8444 33.1219 35.8103 47.1823 27.6186 32.4953 36.3204 Linoelaidyl carnitine 0.1232 0.2295 0.3626 0.2436 0.2868 0.2814 0.3261 0.2405 0.2376 0.2895 myristoylcarnitine 5.1154 8.6139 10.0189 8.8389 7.7520 9.0549 9.5472 7.9287 7.0252 8.0565 octanoylcarnitine 0.0198 0.0405 0.1864 0.0578 0.0563 0.0567 0.0583 0.0549 0.0535 0.0520 Octenoylcarnitine 0.0028 0.0043 0.0161 0.0064 0.0065 0.0048 0.0105 0.0066 0.0086 0.0072 Oleoylcarnitine 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Palmitoleylcarnitine 1.1568 2.1435 3.3138 2.0690 2.3094 2.5164 2.9192 1.9288 1.8232 2.2873 palmitoylcarnitine 5.3559 7.4167 9.3898 8.0322 8.3260 8.0608 9.0151 7.2766 7.5962 8.1692 propionylcarnitine 2.4430 5.2330 10.2877 4.5197 7.3419 4.7068 6.7430 3.6296 4.6336 3.8235 Stearoylcarnitine 0.0127 0.0104 0.0094 0.0092 0.0132 0.0099 0.0132 0.0118 0.0136 0.0114 Tetradecadiencarnitine 0.0329 0.0895 0.2552 0.0828 0.0812 0.0699 0.1014 0.0646 0.0745 0.0678 Tetradecenoylcarnitine 0.7301 1.6660 2.6446 1.3288 1.4070 1.5145 1.9350 1.1889 1.1646 1.2204 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 3-hydroxylauroylcarnitine 71464535 C12-OH UM_Target_ID 3-Hydroxylinoleoylcarnitine 78076335 C18:2-OH UM_Target_ID 3-hydroxymyristoylcarnitine 71464541 C14-OH UM_Target_ID 3-Hydroxypalmitoylcarnitine 71464553 C16-OH UM_Target_ID Acetylcarnitine 1 C2 UM_Target_ID arachidonoylcarnitine 71464486 C20:4 UM_Target_ID butyrylcarnitine 439829 C4 UM_Target_ID Decanoylcarnitine 3332882 C10:0 UM_Target_ID decenoylcarnitine 54074509 C10:1 UM_Target_ID Dodecenoylcarnitine 53481671 C12:1 UM_Target_ID Glutarylcarnitine 71317118 C5:0-DC UM_Target_ID Hexanoylcarnitine 6426853 C6:0 UM_Target_ID icosadienoylcarnitine 163425699 C20:2 UM_Target_ID Icosanoylcarnitine 53477833 C20 UM_Target_ID icosatrienoylcarnitine C20:3 UM_Target_ID icoseneoylcarnitine 71464507 C20:1 UM_Target_ID isovalerylcarnitine 6426852 C5:0 UM_Target_ID lauroylcarnitine 168381 C12:0 UM_Target_ID L-Carnitine 10917 L-Carnitine UM_Target_ID Linoelaidyl carnitine 53477834 C18:2 UM_Target_ID myristoylcarnitine 3413344 C14:0 UM_Target_ID octanoylcarnitine 123701 C8:0 UM_Target_ID Octenoylcarnitine 71464472 C8:1 UM_Target_ID Oleoylcarnitine 166952 C18:1 UM_Target_ID Palmitoleylcarnitine 76040365 C16:1 UM_Target_ID palmitoylcarnitine 461 C16:0 UM_Target_ID propionylcarnitine 107738 C3 UM_Target_ID Stearoylcarnitine 5282 C18:0 UM_Target_ID Tetradecadiencarnitine 53481681 C14:2 UM_Target_ID Tetradecenoylcarnitine 22833575 C14:1 UM_Target_ID METABOLITES_END #END