#METABOLOMICS WORKBENCH araskind_20170802_131906 DATATRACK_ID:1178 STUDY_ID:ST000842 ANALYSIS_ID:AN001361 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 uM MS_METABOLITE_DATA_START Samples S00020367 S00020368 S00020369 S00020373 S00020374 S00020375 S00020379 S00020380 S00020381 S00020385 S00020386 S00020387 S00020391 S00020392 S00020393 S00020397 S00020398 S00020399 S00020403 S00020404 S00020405 S00020409 S00020410 S00020411 S00020415 S00020416 S00020417 S00020421 S00020422 S00020423 Factors Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 Sample type:Plasma | Visit #:1 Sample type:Plasma | Visit #:4 Sample type:Plasma | Visit #:5 ACETYL-DL-CARNITINE 3.9986 3.9471 4.347 3.7887 5.4333 3.5953 4.4847 3.6915 2.887 4.5401 5.3014 3.7469 3.7159 3.8535 4.7845 3.0329 4.9679 4.1294 5.3828 4.5528 4.0626 4.4058 4.7531 3.9755 6.0544 5.8541 5.4864 4.3183 4.4259 4.5664 DECANOYLCARNITINE .1638 .1436 .2278 .0799 .1329 .1085 .0699 .1973 .0612 .0931 .071 .0571 .1092 .1052 .0955 .0414 .0642 .0765 .1289 .0856 .1043 .0754 .0957 .1407 .1015 .108 .1192 .078 .0948 .0693 LAUROYLCARNITINE .0386 .0376 .0577 .0184 .0363 .0196 .0168 .039 .0129 .026 .0186 .0153 .0202 .0199 .0245 .0095 .0157 .018 .0305 .0234 .0232 .0203 .0219 .0285 .0335 .0312 .0338 .0207 .0236 .0172 PROPIONYLCARNITINE .3428 .3658 .3696 .4436 .3061 .3884 .3173 .2541 .2867 .3515 .2938 .287 .2307 .2407 .2188 .3206 .2505 .2902 .4584 .3961 .3286 .3176 .269 .2301 .4375 .4045 .519 .3824 .4122 .4032 L-PALMITOYLCARNITINE .088 .0812 .0814 .0634 .079 .0581 .0681 .0683 .063 .0776 .0768 .0643 .0561 .0509 .0632 .0482 .0602 .0575 .0933 .0739 .0758 .0689 .074 .0741 .0928 .0843 .0983 .0688 .0663 .0656 O-OCTANOYLCARNITINE .0995 .0849 .1417 .0427 .0761 .0572 .0471 .1051 .0368 .0463 .0388 .0296 .0536 .0582 .0573 .0212 .0339 .0375 .0629 .0456 .0548 .0393 .049 .0713 .0577 .0573 .0672 .0476 .0489 .0427 BUTYRYLCARNITINE .1657 .1293 .1439 .2103 .1671 .1973 .096 .0867 .1001 .1276 .111 .1291 .0682 .075 .0687 .1143 .0961 .0951 .1632 .1201 .1241 .1151 .0872 .0787 .1748 .147 .1746 .1455 .2416 .1779 DL-CARNITINE 22.2999 19.3715 19.57 23.6939 19.4471 22.9726 15.0053 16.2395 16.2446 21.3054 19.0981 19.5644 15.0435 14.4738 13.0379 15.6514 17.2438 17.8171 25.2256 22.9337 22.4451 17.2015 16.0404 14.2796 25.2049 23.9728 24.6872 18.1679 22.9197 19.0411 AC1MIY4G .0323 .0334 .0394 .0201 .0253 .0214 .0247 .0303 .0177 .0236 .0243 .0181 .0214 .0222 .027 .0123 .0159 .0171 .0308 .0223 .0224 .0229 .0276 .0309 .0293 .0252 .0289 .0292 .033 .0268 ARACHIDONYL CARNITINE .0012 .001 .0012 .0009 .001 .0007 .0006 .0006 .0006 .0013 .0013 .0011 .0003 .0003 .0004 .0005 .0005 .0006 .0011 .001 .001 .0005 .0006 .0007 .0012 .0011 .0016 .0009 .0007 .001 LINOELAIDYL CARNITINE .0263 .0264 .0273 .0214 .0269 .0183 .0248 .0254 .0193 .0314 .0328 .0265 .0117 .011 .0157 .0111 .0147 .0157 .0239 .0194 .0198 .0208 .0215 .0279 .028 .0277 .032 .0203 .0176 .0204 18:3 CARNITINE .0017 .0013 .0015 .0011 .0012 .0009 .0008 .0008 .0008 .0014 .0014 .0011 .0005 .0005 .0007 .0005 .0006 .0007 .0011 .0007 .001 .0009 .0009 .0011 .0013 .0011 .0015 .0014 .0014 .0015 CIS-4-DECENOYL CARNITINE .1223 .1086 .169 .0595 .0886 .0676 .0507 .0947 .0449 .0653 .0517 .046 .0505 .0547 .0504 .0261 .0395 .052 .0798 .0539 .0665 .0544 .0628 .0964 .0664 .0716 .074 .0538 .0639 .0502 ISOVALERYLCARNITINE .1265 .1059 .1181 .1399 .0829 .1135 .0541 .0606 .064 .1042 .0944 .094 .0905 .0756 .0752 .1095 .0969 .0854 .1738 .1275 .1146 .0864 .059 .0613 .2026 .178 .1472 .1176 .1458 .1088 MYRISTOYLCARNITINE .0203 .017 .0225 .0137 .0198 .0142 .0124 .0172 .0117 .0172 .0185 .0137 .0127 .0122 .0149 .009 .0127 .0126 .0202 .0168 .0161 .0161 .0165 .0192 .0227 .0184 .0208 .0126 .0155 .012 STEAROYLCARNITINE .0082 .0166 .0212 .0096 .0117 .0068 .0288 .0096 .0166 .0323 .007 .027 .0047 -.0018 .0194 .0097 .0164 .008 .011 .019 .0012 .0002 .0201 .0234 .0081 .016 .0202 .0265 .0361 .0032 OLEOYLCARNITINE .0713 .064 .0559 .0522 .0843 .0485 .0631 .0683 .052 .0694 .0886 .0596 .0408 .0397 .0555 .0293 .0388 .0397 .0735 .0526 .0567 .061 .0621 .0659 .0658 .0656 .066 .0558 .0479 .0557 GLUTARYLCARNITINE .0014 .0015 .0018 .002 .0048 .0023 .0019 .0022 .0014 .0018 .0014 .0008 .0015 .0016 .0019 .0007 .0011 .0014 .0019 .002 .0014 .0008 .0013 .0014 .0013 .0014 .0013 .0013 .001 .0011 (11Z,14Z)-ICOSADIENOYLCARNITINE .0017 .0014 .0011 .0015 .0009 .001 .0012 .0011 .0018 .0019 .0006 .0006 .0011 .0004 .0013 .0013 .0013 .0028 .0039 .0032 .0023 .0034 .0019 .0015 .0022 .0013 .0041 .0008 .0011 .0017 3-HYDROXYLAUROYLCARNITINE .0017 .0017 .0025 .0013 .0027 .0014 .001 .0018 .0009 .0013 .0009 .0007 .0012 .0013 .0015 .0005 .0009 .0014 .002 .0017 .0015 .0008 .0011 .0014 .0012 .0014 .0014 .0015 .0012 .0012 3-HYDROXYMYRISTOYLCARNITINE .0024 .0026 .0031 .0017 .0041 .002 .0019 .0018 .0013 .0019 .0018 .0013 .0017 .0019 .0023 .0008 .0012 .0018 .0027 .0026 .0022 .0011 .0016 .0016 .002 .002 .0019 .0023 .002 .002 3-HYDROXYPALMITOYLCARNITINE .0012 .0011 .0011 .001 .0014 .0008 .0009 .0009 .0008 .0011 .0009 .0007 .0008 .0008 .0009 .0006 .0007 .0009 .0011 .0012 .0011 .0007 .0008 .0008 .0011 .0011 .0011 .001 .001 .0008 3-HYDROXYLINOLEYLCARNITINE .0005 .0006 .0008 .0007 .0015 .0007 .0011 .0007 .0006 .0009 .0007 .0005 .0007 .0008 .0014 .0003 .0005 .0006 .0006 .0008 .0005 .0008 .0008 .0009 .0006 .0006 .0006 .0006 .0006 .0006 16:1 CARNITINE .0116 .0114 .0129 .0112 .02 .0107 .0171 .0168 .0111 .0139 .0134 .0109 .0097 .0111 .0138 .004 .0066 .0076 .0108 .0101 .0089 .0128 .0138 .0165 .0085 .0093 .0091 .0133 .0115 .0121 8:1 CARNITINE .1639 .1897 .1367 .1257 .1273 .1397 .1601 .1869 .1265 .1261 .122 .1154 .103 .1346 .1318 .0987 .0889 .0786 .176 .1202 .1169 .0929 .1253 .1351 .177 .1773 .1809 .1294 .1677 .1271 14:2 CARNITINE .0192 .0213 .0316 .0083 .0198 .0096 .0111 .0253 .0063 .0145 .0125 .0086 .0091 .0096 .0133 .0035 .0072 .0094 .0145 .0115 .012 .0114 .011 .0164 .0136 .0149 .0131 .011 .0108 .0089 12:1 CARNITINE .0471 .0385 .0615 .0238 .0478 .0276 .0244 .0554 .0179 .031 .0247 .0209 .026 .0257 .0347 .0101 .0161 .0211 .0352 .027 .0291 .0295 .027 .0354 .0254 .0281 .0261 .0273 .0298 .0235 14:1 CARNITINE .0339 .0375 .0492 .0174 .0445 .0194 .0248 .0408 .0128 .0287 .0244 .0175 .0194 .0208 .0325 .0071 .0137 .0163 .0271 .0234 .0228 .0235 .023 .0299 .0281 .0297 .0267 .0254 .0227 .0216 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 LINOELAIDYL CARNITINE 53477834 18:3 CARNITINE 54500892 CIS-4-DECENOYL CARNITINE 57357170 ISOVALERYLCARNITINE 6426851 MYRISTOYLCARNITINE 6426854 STEAROYLCARNITINE 6426855 OLEOYLCARNITINE 6441392 GLUTARYLCARNITINE 71317118 (11Z,14Z)-ICOSADIENOYLCARNITINE 71464509 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