#METABOLOMICS WORKBENCH araskind_20170802_132352 DATATRACK_ID:1180 STUDY_ID:ST000841 ANALYSIS_ID:AN001353 PROJECT_ID:PR000599 VERSION 1 CREATED_ON August 9, 2017, 11:32 am #PROJECT PR:PROJECT_TITLE Prelim data for NIH exercise consortium PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Plasma samples before and after exercise training in obese adults PR:INSTITUTE University of Michigan PR:DEPARTMENT Kinesiology PR:LABORATORY Horowitz Lab PR:LAST_NAME Horowitz PR:FIRST_NAME Jeff PR:ADDRESS Ann Arbor, MI PR:EMAIL jeffhoro@umich.edu PR:PHONE 734-647-3354 #STUDY ST:STUDY_TITLE Metabolomics of muscle in insulin sensitive and resistant obese indivduals. ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY "OC" samples: muscle biopsy samples collected from insulin sensitive / insulin ST:STUDY_SUMMARY resistant obese indivduals before undergoing a hyperinsulinemic-euglycemic ST:STUDY_SUMMARY clamp. Subjects were previously categorized for the rate of fatty acid release ST:STUDY_SUMMARY from adipose tissue into the bloodstream as a measure of insuline resistance. ST:STUDY_SUMMARY Low-FA, Med-FA, and High-FA stand for low, medium, and high rate of release. 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 4 ST:TOTAL_SUBJECTS 28 #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 SU0013583 S00020427 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013584 S00020428 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013585 S00020429 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013586 S00020430 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013587 S00020431 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013588 S00020432 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013589 S00020433 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013590 S00020434 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013591 S00020435 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013592 S00020436 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013593 S00020437 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013594 S00020438 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013595 S00020439 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013596 S00020440 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013597 S00020441 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013598 S00020442 Subject group:LOW-FA SUBJECT_SAMPLE_FACTORS SU0013599 S00020443 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013600 S00020444 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013601 S00020445 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013602 S00020446 Subject group:MID-FA SUBJECT_SAMPLE_FACTORS SU0013603 S00020447 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013604 S00020448 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013605 S00020449 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013606 S00020450 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013607 S00020451 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013608 S00020452 Subject group:HIGH-FA SUBJECT_SAMPLE_FACTORS SU0013609 S00020453 Subject group:N/A SUBJECT_SAMPLE_FACTORS SU0013610 S00020454 Subject group:N/A #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A003_-_Untargeted_Metabolomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent CH:COLUMN_NAME Waters Acquity HSS T3 (100 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A008 - Acyl Carnitines.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6490A QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/mg MS_METABOLITE_DATA_START Samples S00020427 S00020428 S00020429 S00020430 S00020431 S00020432 S00020433 S00020434 S00020435 S00020436 S00020437 S00020438 S00020439 S00020440 S00020441 S00020442 S00020443 S00020444 S00020445 S00020446 S00020447 S00020448 S00020449 S00020450 S00020451 S00020452 S00020453 S00020454 Factors Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:LOW-FA Subject group:MID-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:MID-FA Subject group:LOW-FA Subject group:MID-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:MID-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:N/A Subject group:N/A ACETYL-DL-CARNITINE 259.8651685 259.3636364 464.7307692 402.2941176 239.6 177.6465517 202.3780488 309.1333333 373.9354839 143.4117647 227.325 118.6680328 315.0188679 152.049505 268.170068 184.5298013 246.0373444 526.3106061 221.9285714 145.2184211 200.9119718 226.4673913 143.2757353 176 166.344 255.9026549 140.6838235 149.7666667 DECANOYLCARNITINE .735955056 2.483471074 2.038461538 2.588235294 1.357142857 .775862069 .459349593 2.05 1.653225806 .637254902 2.75625 .655737705 1.25 .400990099 1.020408163 .321192053 1.265560166 3.174242424 .26 .242105263 .133802817 .184782609 .088235294 .442307692 .224 .415929204 .362745098 .805128205 LAUROYLCARNITINE 3.629213483 10.2107438 13.22435897 20.41176471 7.552380952 7.818965517 1.75203252 12.26666667 5.217741935 4.156862745 19.03125 3.905737705 10.57075472 4.881188119 6.43877551 3.413907285 3.48340249 17.99242424 1.411428571 1.263157895 1.235915493 .760869565 1.474264706 6.891025641 2.944 .345132743 2.659313725 1.876923077 PROPIONYLCARNITINE 5.938202247 5.619834711 6.083333333 5.5 7.147619048 5.025862069 4.658536585 4.925 6.806451613 4.980392157 7.5625 6.881147541 5.650943396 5.96039604 6.62244898 3.476821192 3.908713693 5.454545455 5.411428571 6.75 4.080985915 10.51086957 5.426470588 5.237179487 4.128 3.668141593 5.531862745 5.346153846 L-PALMITOYLCARNITINE 16.83707865 21.80991736 20.78846154 25.29411765 19.71904762 21.67241379 14.55284553 43.98333333 21.50806452 12.53921569 16.46875 12.5942623 18.23113208 20.58910891 11.68027211 10.00662252 13.75311203 22.45454545 4.057142857 6.876315789 6.76056338 5.623188406 10.40808824 13.25 8.536 2.787610619 7.443627451 8.838461538 O-OCTANOYLCARNITINE .52247191 2.52892562 1.5 1.735294118 .857142857 .353448276 .337398374 1.908333333 1.362903226 .303921569 .98125 .290983607 .471698113 .668316832 .595238095 .149006623 1.346473029 1.924242424 .337142857 .194736842 .088028169 .152173913 .073529412 .320512821 .14 .522123894 .262254902 .992307692 BUTYRYLCARNITINE 1.870786517 4.454545455 2.762820513 1.735294118 3.242857143 .827586207 1.43495935 3.725 3.072580645 1.205882353 1.6875 1.87704918 2.863207547 6.589108911 1.663265306 1.046357616 4.790456432 4.21969697 1.514285714 1.355263158 .771126761 2.913043478 .955882353 .955128205 1.28 5.92920354 1.151960784 2.664102564 DL-CARNITINE 2289.106742 2397.355372 2691.166667 2371.735294 3235.419048 2208.258621 1622.731707 1925.85 2966.862903 1447.431373 2496.25 2390.118852 1705.014151 2253.589109 2716.44898 1782.059603 1848.86722 2748.492424 3331.642857 2632.878947 2637.901408 3490.985507 2546.231618 3050.608974 3038.136 1318.548673 3468.254902 2855.797436 AC1MIY4G 1.348314607 6.280991736 2.070512821 2.647058824 1.838095238 .793103448 .695121951 3.375 3.588709677 .441176471 .9375 .786885246 .853773585 2.53960396 1.057823129 .470198675 3.508298755 2.196969697 1.06 .705263158 .323943662 .594202899 .253676471 1.230769231 .36 3.159292035 .698529412 2.771794872 ARACHIDONYL CARNITINE 1.662921348 1.438016529 2.275641026 1.029411765 1.880952381 1.206896552 1.304878049 6.266666667 2.048387097 1.803921569 2.25625 .553278689 .688679245 .871287129 .918367347 .5 .728215768 2.939393939 .265714286 .344736842 .25 .253623188 .470588235 .564102564 .672 .057522124 .43872549 .348717949 ARACHIDYL CARNITINE .005617978 .008264463 .006410256 .004761905 .004065041 .008333333 .008064516 .009803922 .00625 .004098361 .004716981 .004950495 .006802721 .003311258 .006224066 .007575758 .005714286 .007894737 .003521127 .003623188 .003676471 .006410256 .004 .004424779 .00245098 .005128205 LINOELAIDYL CARNITINE 22.37078652 19.66942149 20.26923077 31.32352941 18.94285714 33.46551724 17.48780488 46.30833333 26.2983871 17.75490196 16.2125 14.58606557 14.12264151 11.67821782 11.95578231 8.513245033 10.08713693 22.75757576 6.88 11.87105263 8.387323944 9.115942029 9.801470588 10.50641026 12.272 4.168141593 8.607843137 11.21025641 18:3 CARNITINE .404494382 .347107438 .647435897 .294117647 .595238095 .465517241 .333333333 1.85 .459677419 .392156863 .49375 .168032787 .212264151 .207920792 .244897959 .17218543 .273858921 .424242424 .088571429 .123684211 .102112676 .105072464 .194852941 .173076923 .236 .017699115 .223039216 .125641026 CIS-4-DECENOYL CARNITINE .207865169 .566115702 .403846154 .882352941 .471428571 .112068966 .211382114 .441666667 .548387097 .176470588 .24375 .077868852 .150943396 .341584158 .149659864 .052980132 .356846473 .287878788 .057142857 .105263158 .063380282 .115942029 .036764706 .128205128 .08 .190265487 .139705882 .461538462 ISOVALERYLCARNITINE .741573034 .582644628 1.371794872 1.029411765 .795238095 .974137931 .426829268 .583333333 .661290323 .960784314 1.2125 4.073770492 5.919811321 .643564356 .69047619 .337748344 .647302905 .886363636 1.065714286 1.397368421 .443661972 4.992753623 1.290441176 .442307692 .404 .601769912 1.595588235 2.438461538 MYRISTOYLCARNITINE 3.219101124 5.669421488 5.16025641 5.735294118 5.3 3.353448276 2.345528455 10.89166667 4.096774194 1.970588235 4.675 1.729508197 3.882075472 6.47029703 2.795918367 2.056291391 4.253112033 5.227272727 .622857143 1.228947368 1.288732394 1.105072464 1.290441176 2.256410256 1.82 .486725664 1.906862745 1.761538462 OLEOYLCARNITINE 3.842696629 14.40909091 17.01282051 26.64705882 19.14761905 12.62931034 13.66666667 47.83333333 13.03225806 11.18627451 13.2 1.905737705 8.476415094 14.5049505 9.578231293 8.685430464 9.668049793 19.17424242 6.388571429 1.131578947 2.922535211 6.086956522 6.643382353 7.955128205 7.376 .513274336 9.012254902 5.523076923 GLUTARYLCARNITINE .292134831 .458677686 .916666667 .764705882 .457142857 .25862069 .223577236 .55 .733870968 .098039216 .25625 .155737705 .349056604 .430693069 .282312925 .264900662 .487551867 1.340909091 .474285714 .192105263 .422535211 .47826087 .1875 .25 .352 .685840708 1.017156863 .579487179 3-HYDROXYLAUROYLCARNITINE .112359551 .305785124 .493589744 1.264705882 .247619048 .043103448 .097560976 .25 .201612903 .30625 .028688525 .216981132 6.173267327 .115646259 .079470199 .236514523 .386363636 .082857143 .039473684 .003521127 .061594203 .036764706 .141025641 .08 .115044248 .098039216 .11025641 3-HYDROXYMYRISTOYLCARNITINE .123595506 .326446281 .467948718 1.088235294 .285714286 .068965517 .117886179 .325 .209677419 .078431373 .23125 .036885246 .273584906 4.98019802 .112244898 .155629139 .317427386 .416666667 .151428571 .044736842 .084507042 .101449275 .073529412 .179487179 .104 .181415929 .178921569 .141025641 3-HYDROXYPALMITOYLCARNITINE .151685393 .132231405 .153846154 .264705882 .171428571 .017241379 .12601626 .133333333 .225806452 .078431373 .1 .020491803 .132075472 3.287128713 .105442177 .072847682 .163900415 .21969697 .008571429 .028947368 .021126761 .039855072 .029411765 .044871795 .052 .092920354 .034313725 .025641026 3-HYDROXYLINOLEYLCARNITINE .747191011 .665289256 1.038461538 .882352941 1.166666667 .172413793 .821138211 .883333333 1.048387097 .352941176 .4375 .069672131 .556603774 10.62376238 .414965986 .357615894 .549792531 .742424242 .094285714 .160526316 .137323944 .173913043 .165441176 .230769231 .464 .181415929 .225490196 .215384615 16:1 CARNITINE 8.438202247 11.69008264 11.85897436 8.352941176 9.619047619 9.077586207 8.097560976 19.31666667 10.22580645 5.107843137 6.34375 3.045081967 4.632075472 9.227722772 5.853741497 3.950331126 7.55186722 8.840909091 2.031428571 3.834210526 3.35915493 2.811594203 2.628676471 3.326923077 5.188 1.230088496 5.818627451 4.212820513 8:1 CARNITINE .292134831 .55785124 .455128205 .764705882 .471428571 .465517241 .333333333 .491666667 .362903226 .196078431 .36875 .459016393 .400943396 .599009901 .204081633 .145695364 .632780083 .924242424 .314285714 .365789474 .246478873 .652173913 .257352941 .262820513 .32 .389380531 .392156863 .812820513 14:2 CARNITINE 1.213483146 2.524793388 3.576923077 3.617647059 3.752380952 .422413793 1.341463415 4.791666667 2.258064516 1.18627451 1.94375 .135245902 1.330188679 4.089108911 .81292517 .543046358 2.230290456 1.590909091 .314285714 .344736842 .440140845 .724637681 .202205882 .801282051 .692 .17699115 .691176471 1.525641026 12:1 CARNITINE .41011236 1.380165289 1.506410256 1.911764706 1.223809524 .362068966 .414634146 1.583333333 .790322581 .470588235 .81875 .106557377 .433962264 1.178217822 .329931973 .241721854 .968879668 .871212121 .22 .155263158 .193661972 .199275362 .091911765 .493589744 .216 .154867257 .475490196 .587179487 14:1 CARNITINE 2.623595506 7.305785124 7.782051282 7.617647059 7.133333333 1.982758621 2.841463415 10.56666667 4.774193548 2.401960784 3.80625 .491803279 3.188679245 11.11386139 2.295918367 2.056291391 6.226141079 4.257575758 1.122857143 .857894737 1.348591549 1.452898551 .713235294 1.83974359 1.856 .504424779 2.81372549 2.894871795 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 ACETYL-DL-CARNITINE 1 DECANOYLCARNITINE 10245190 LAUROYLCARNITINE 10427569 PROPIONYLCARNITINE 107738 L-PALMITOYLCARNITINE 11953816 O-OCTANOYLCARNITINE 123701 BUTYRYLCARNITINE 213144 DL-CARNITINE 288 AC1MIY4G 3082079 ARACHIDONYL CARNITINE 53477832 ARACHIDYL CARNITINE 53477833 LINOELAIDYL CARNITINE 53477834 18:3 CARNITINE 54500892 CIS-4-DECENOYL CARNITINE 57357170 ISOVALERYLCARNITINE 6426851 MYRISTOYLCARNITINE 6426854 OLEOYLCARNITINE 6441392 GLUTARYLCARNITINE 71317118 3-HYDROXYLAUROYLCARNITINE 71464535 3-HYDROXYMYRISTOYLCARNITINE 71464541 3-HYDROXYPALMITOYLCARNITINE 71464553 3-HYDROXYLINOLEYLCARNITINE 71464556 16:1 CARNITINE 76040365 8:1 CARNITINE 77908888 14:2 CARNITINE 87087940 12:1 CARNITINE 87087953 14:1 CARNITINE 87088002 METABOLITES_END #END