#METABOLOMICS WORKBENCH araskind_20170802_131906 DATATRACK_ID:1178 STUDY_ID:ST000842 ANALYSIS_ID:AN001360 PROJECT_ID:PR000599 VERSION 1 CREATED_ON August 9, 2017, 11:59 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 Muscle and plasma before and after exercise ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY "PA" samples: matched plasma and muscle samples from an obese subject ST:STUDY_SUMMARY mild-intensity exercise training study, V1 is the first visit (untrained), V4 is ST:STUDY_SUMMARY post 3 months training, 1 day after exercise and V5 is post 3 months training, 3 ST:STUDY_SUMMARY days after last exercise. 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 8 ST:TOTAL_SUBJECTS 11 #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 SU0013541 S00020367 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013541 S00020368 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013541 S00020369 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013541 S00020370 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013541 S00020371 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013541 S00020372 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013542 S00020373 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013542 S00020374 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013542 S00020375 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013542 S00020376 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013542 S00020377 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013542 S00020378 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013543 S00020379 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013543 S00020380 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013543 S00020381 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013543 S00020382 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013543 S00020383 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013543 S00020384 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013544 S00020385 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013544 S00020386 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013544 S00020387 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013544 S00020388 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013544 S00020389 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013544 S00020390 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013545 S00020391 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013545 S00020392 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013545 S00020393 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013545 S00020394 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013545 S00020395 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013545 S00020396 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013546 S00020397 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013546 S00020398 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013546 S00020399 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013546 S00020400 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013546 S00020401 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013546 S00020402 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013547 S00020403 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013547 S00020404 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013547 S00020405 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013547 S00020406 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013547 S00020407 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013547 S00020408 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013548 S00020409 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013548 S00020410 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013548 S00020411 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013548 S00020412 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013548 S00020413 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013548 S00020414 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013549 S00020415 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013549 S00020416 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013549 S00020417 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013549 S00020418 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013549 S00020419 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013549 S00020420 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013550 S00020421 Sample type:Plasma | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013550 S00020422 Sample type:Plasma | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013550 S00020423 Sample type:Plasma | Visit #:5 SUBJECT_SAMPLE_FACTORS SU0013550 S00020424 Sample type:Muscles | Visit #:1 SUBJECT_SAMPLE_FACTORS SU0013550 S00020425 Sample type:Muscles | Visit #:4 SUBJECT_SAMPLE_FACTORS SU0013550 S00020426 Sample type:Muscles | Visit #:5 SUBJECT_SAMPLE_FACTORS SU9999996 S00020456 Sample type:Pooled sample | Visit #:Pooled muscles SUBJECT_SAMPLE_FACTORS SU9999996 S00020457 Sample type:Pooled sample | Visit #:Pooled plasma #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 S00020370 S00020371 S00020372 S00020376 S00020377 S00020378 S00020382 S00020383 S00020384 S00020388 S00020389 S00020390 S00020394 S00020395 S00020396 S00020400 S00020401 S00020402 S00020406 S00020407 S00020408 S00020412 S00020413 S00020414 S00020418 S00020419 S00020420 S00020424 S00020425 S00020426 Factors Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 Sample type:Muscles | Visit #:1 Sample type:Muscles | Visit #:4 Sample type:Muscles | Visit #:5 ACETYL-DL-CARNITINE 230.1369048 228.2674419 215.4803922 82.10526316 330.6538462 205 158.0306122 178.0877193 208.6272727 280.68 328.1272727 196.7641509 235.7 263.7340426 213.64 147.254386 184.8 144.6122449 152.90625 184.5230769 182.1666667 165.5963855 228.8103448 235.6612903 281.34 325.1826923 297.0932203 213.0360825 210.7868852 193.2117647 DECANOYLCARNITINE 2.053571429 .76744186 1.245098039 .473684211 1.576923077 1.444444444 .581632653 1.131578947 1.909090909 2.15 3.218181818 1.283018868 .754545455 1.563829787 1.23 3.052631579 3.4 1.867346939 .96875 1.461538462 1.083333333 1.271084337 1.586206897 2.080645161 4.28 3.990384615 1.661016949 1.680412371 1.754098361 1.776470588 LAUROYLCARNITINE 13.03571429 4.639534884 10.59803922 5.070175439 7.048076923 12.77777778 3.469387755 8.807017544 14.53636364 14.84 11.28181818 7.716981132 3.118181818 9.340425532 10.6 7.98245614 7.775 7.581632653 5.979166667 8.461538462 3.733333333 13.24698795 10.51149425 15.25806452 35.46 25.74038462 7.610169492 11.51546392 9.327868852 8.594117647 PROPIONYLCARNITINE 6.351190476 5.76744186 5.539215686 1.912280702 7.134615385 6.533333333 4.091836735 5.105263158 5.890909091 7.37 6.090909091 4.764150943 4.954545455 3.904255319 5.34 6.99122807 5.23125 4.918367347 5.90625 8.353846154 7.25 9.15060241 6.5 6.403225806 8.09 7.528846154 10.03389831 5.840206186 11.14754098 12.27647059 L-PALMITOYLCARNITINE 17.88095238 17.45348837 18.59803922 6.763157895 42.23076923 17.95555556 13.92857143 21.73684211 23.78181818 30.09 32.35454545 26.05660377 22.2 25.13829787 23.525 48.63157895 33.91875 42.03061224 24.046875 32.13076923 26.34166667 25.43373494 32.59770115 41.75806452 33.29 40.71153846 31.93220339 29.85051546 28.89344262 21.22352941 O-OCTANOYLCARNITINE .827380952 .418604651 .450980392 .166666667 .942307692 .566666667 .408163265 .456140351 1.018181818 1.49 2.563636364 .886792453 .381818182 1.595744681 .98 1.096491228 2.80625 1.326530612 .729166667 .669230769 .875 .56626506 1.022988506 1.516129032 1.24 2.875 2.805084746 1.201030928 1.06557377 .894117647 BUTYRYLCARNITINE 3.202380952 2.930232558 2.058823529 1.570175439 10.39423077 3.722222222 1.612244898 1.298245614 2.972727273 3.77 5.227272727 1.839622642 1.118181818 1.787234043 1.895 1.263157895 5.1875 1.673469388 2.53125 2.369230769 2.658333333 3.030120482 1.804597701 1.14516129 2.2 3.134615385 3.949152542 3.170103093 2.295081967 2.052941176 DL-CARNITINE 2608.053571 2840.511628 2787.72549 1059.026316 3501.009615 2269.011111 1411.969388 2094.894737 2102.418182 2681.83 2593.345455 1706.528302 1917.281818 1593.574468 1957.19 2529.649123 2342.69375 1625.163265 2981.03125 2617.007692 2056.741667 2414.114458 2475.971264 3070.241935 2786.7 2990.173077 2065.372881 2691.587629 3321.016393 3334.088235 AC1MIY4G 1.571428571 .825581395 .588235294 .192982456 1.634615385 .466666667 1.234693878 .824561404 2.1 2.99 6.727272727 1.952830189 .436363636 3.744680851 2.11 .561403509 5.3375 1.112244898 1.9375 .676923077 2.5 .831325301 1.034482759 .838709677 .86 1.653846154 4.449152542 3.092783505 1.647540984 1.282352941 ARACHIDONYL CARNITINE 1.130952381 2.058139535 2.176470588 .701754386 4.913461538 2.3 1.326530612 1.350877193 1.581818182 2.43 3.318181818 2.735849057 2.718181818 3.20212766 2.28 6.026315789 3.7625 6.091836735 2.791666667 4.438461538 2.883333333 3.530120482 4.988505747 5.483870968 2.38 3.730769231 3.13559322 1.917525773 2.270491803 1.382352941 ARACHIDYL CARNITINE .005952381 .009615385 .009090909 .01 .009090909 .009433962 .009090909 .010638298 .005 .00877193 .00625 .010204082 .005208333 .007692308 .008333333 .006024096 .005747126 .01 .009615385 .008474576 .010309278 .016393443 .005882353 LINOELAIDYL CARNITINE 19.78571429 23.98837209 26.67647059 9.736842105 47.75 23.96666667 19.06122449 33.15789474 28.63636364 30.44 40.71818182 28.29245283 30.16363636 33.90425532 22.385 60.04385965 29.5875 48.53061224 24.6875 33.72307692 26.375 22.60843373 33.57471264 47.98387097 29.31 36.32692308 34.77966102 27.76804124 42.63934426 23.14705882 18:3 CARNITINE .428571429 .593023256 .754901961 .210526316 1.105769231 .733333333 .387755102 .578947368 .736363636 .66 .845454545 .660377358 .772727273 .723404255 .64 1.719298246 .8875 1.255102041 .645833333 .846153846 .716666667 .843373494 1.195402299 1.35483871 .64 .884615385 .711864407 .907216495 1.319672131 .829411765 CIS-4-DECENOYL CARNITINE .19047619 .290697674 .117647059 .035087719 .673076923 .111111111 .204081633 .061403509 .145454545 .27 .590909091 .386792453 .118181818 .265957447 .22 .157894737 1.1375 .346938776 .255208333 .238461538 .333333333 .156626506 .350574713 .322580645 .18 .192307692 .491525424 .577319588 .31147541 .170588235 ISOVALERYLCARNITINE 1.398809524 2.546511628 1.656862745 .175438596 .923076923 .544444444 .479591837 .640350877 .454545455 .88 .872727273 .41509434 .790909091 .691489362 .605 1.868421053 .975 .734693878 .828125 1.969230769 .941666667 3.801204819 1.166666667 .790322581 6.82 6.086538462 3.686440678 .74742268 .68852459 .805882353 MYRISTOYLCARNITINE 4.648809524 3.255813953 3.745098039 1.543859649 9.701923077 3.166666667 2.193877551 3.780701754 4.890909091 5.29 9.381818182 5.386792453 3.809090909 4.446808511 4.42 8.885964912 6.96875 7.295918367 3.588541667 6.330769231 5.308333333 4.210843373 6.206896552 7.693548387 7.4 8.625 6.686440678 8.293814433 6.680327869 7.276470588 OLEOYLCARNITINE 26.86904762 39.97674419 38.20588235 13.18421053 29.72115385 37.5 34.78571429 45.35964912 47.68181818 40.13 18.63636364 53.16037736 8.127272727 4.829787234 14.08 1.228070175 19.8375 4.846938776 9.6875 13.61538462 51.15 41.95783133 6.752873563 89.16129032 47.42 67.00961538 13.40677966 18.36597938 19.17213115 46.88235294 GLUTARYLCARNITINE .577380952 .674418605 .441176471 .122807018 .836538462 .244444444 .193877551 .5 .309090909 .31 .545454545 .169811321 .345454545 .531914894 .57 .271929825 .51875 .336734694 .473958333 .469230769 .283333333 .277108434 .431034483 .322580645 .15 .365384615 .211864407 .587628866 .631147541 .247058824 3-HYDROXYLAUROYLCARNITINE .172619048 .127906977 .147058824 .043859649 .317307692 .144444444 .132653061 .096491228 .245454545 .25 .436363636 .188679245 .063636364 .159574468 .195 .035087719 .375 .163265306 .1875 .176923077 .191666667 .138554217 .212643678 .274193548 .44 .288461538 .347457627 .448453608 .196721311 .182352941 3-HYDROXYMYRISTOYLCARNITINE .214285714 .174418605 .166666667 .043859649 .307692308 .133333333 .132653061 .087719298 .218181818 .23 .4 .188679245 .090909091 .20212766 .285 .01754386 .41875 .183673469 .223958333 .246153846 .258333333 .13253012 .206896552 .225806452 .25 .240384615 .398305085 .484536082 .213114754 .152941176 3-HYDROXYPALMITOYLCARNITINE .19047619 .279069767 .166666667 .035087719 .567307692 .1 .12244898 .166666667 .136363636 .26 .336363636 .283018868 .172727273 .042553191 .06 .184210526 .3875 .285714286 .088541667 .338461538 .458333333 .162650602 .195402299 .5 .2 .288461538 .288135593 .211340206 .360655738 .329411765 3-HYDROXYLINOLEYLCARNITINE .446428571 .627906977 .470588235 .096491228 3.057692308 .266666667 .448979592 .578947368 .5 .74 1.854545455 .79245283 .618181818 .382978723 .39 1.061403509 1.16875 1.357142857 .635416667 1.315384615 1.15 .421686747 1.086206897 1.564516129 .72 .894230769 1.550847458 1.041237113 1.352459016 .788235294 16:1 CARNITINE 7.232142857 6.558139535 6.852941176 3.49122807 30.68269231 8.266666667 9.540816327 15.93859649 15.75454545 11.24 24.49090909 14.40566038 14.66363636 17.91489362 14.055 27.69298246 16.1 17.07142857 10.55729167 13.48461538 13.36666667 10.45180723 17.70114943 23.80645161 6.18 10.36538462 11.28813559 17.12886598 21.7704918 15.57647059 8:1 CARNITINE .607142857 .720930233 .441176471 .087719298 .432692308 .211111111 .275510204 .49122807 .318181818 .37 .409090909 .235849057 .245454545 .329787234 .325 .201754386 .3125 .112244898 .291666667 .207692308 .233333333 .259036145 .287356322 .322580645 .32 .375 .330508475 .345360825 .352459016 .264705882 14:2 CARNITINE .613095238 1 .705882353 .184210526 3.557692308 .5 1.173469388 .245614035 1.172727273 1.28 3.627272727 2.113207547 .836363636 .904255319 1.5 .385964912 4.50625 1.969387755 1.114583333 1.523076923 1.366666667 .86746988 2.781609195 1.919354839 .89 1.211538462 2.737288136 2.953608247 .852459016 .588235294 12:1 CARNITINE .386904762 .453488372 .343137255 .105263158 1.336538462 .333333333 .785714286 .228070175 .890909091 .76 1.527272727 .924528302 .3 .79787234 1.11 .271929825 1.79375 .663265306 .723958333 .669230769 .791666667 .56626506 1.057471264 1.048387097 .59 .615384615 1.093220339 1.902061856 .590163934 .388235294 14:1 CARNITINE 2.148809524 2.209302326 1.970588235 .745614035 9.519230769 1.866666667 3.867346939 2.00877193 5.254545455 3.76 11.86363636 5.490566038 2.509090909 3.595744681 6.07 1.947368421 9.35 4.469387755 3.473958333 4.084615385 4.35 2.807228916 6.58045977 5.870967742 2.51 3.605769231 5.576271186 9.984536082 3.418032787 2.576470588 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