#METABOLOMICS WORKBENCH araskind_20160413_120805 DATATRACK_ID:585 STUDY_ID:ST000374 ANALYSIS_ID:AN000608 PROJECT_ID:PR000295 VERSION 1 CREATED_ON April 19, 2016, 12:52 pm #PROJECT PR:PROJECT_TITLE Metabolomics Mice Studies PR:PROJECT_SUMMARY Analysis of glycolysis/TCA cycle in skeletal muscle + acyl-carnitine in serum of PR:PROJECT_SUMMARY wt and 113Q mice PR:INSTITUTE University of Michigan PR:DEPARTMENT Pathology PR:LABORATORY Lieberman, Andrew PR:LAST_NAME Lieberman PR:FIRST_NAME Andrew PR:ADDRESS Ann Arbor, MI PR:EMAIL liebermn@umich.edu PR:PHONE 734-936-1889 #STUDY ST:STUDY_TITLE Mice exercise metabolomics ST:STUDY_SUMMARY Mice were run for 15 minutes on a treadmill and then mice were induced into ST:STUDY_SUMMARY anesthesia at a dose of 5% isoflurane, then maintained by continuous inhalation ST:STUDY_SUMMARY of 2% isoflurane. Quadriceps muscle was collected first and flash frozen in ST:STUDY_SUMMARY liquid nitrogen. Then blood was collected from the left ventricle of the heart ST:STUDY_SUMMARY and placed into serum separating tubes. Blood was allowed to clot for 40 minutes ST:STUDY_SUMMARY and centrifuged, the supernatant was frozen in liquid nitrogen ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Facilities 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 18 ST:STUDY_COMMENTS WTvs113Q #SUBJECT SU:SUBJECT_TYPE Animal 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 SU0012359 S00018461 Wild Type:yes | Mutants:no SUBJECT_SAMPLE_FACTORS SU0012360 S00018462 Wild Type:yes | Mutants:no SUBJECT_SAMPLE_FACTORS SU0012361 S00018463 Wild Type:yes | Mutants:no SUBJECT_SAMPLE_FACTORS SU0012362 S00018464 Wild Type:yes | Mutants:no SUBJECT_SAMPLE_FACTORS SU0012363 S00018465 Wild Type:no | Mutants:yes SUBJECT_SAMPLE_FACTORS SU0012364 S00018466 Wild Type:no | Mutants:yes SUBJECT_SAMPLE_FACTORS SU0012365 S00018467 Wild Type:no | Mutants:yes SUBJECT_SAMPLE_FACTORS SU0012366 S00018468 Wild Type:no | Mutants:yes SUBJECT_SAMPLE_FACTORS SU0012359 S00018469 Wild Type:yes | Mutants:no SUBJECT_SAMPLE_FACTORS SU0012360 S00018470 Wild Type:yes | Mutants:no SUBJECT_SAMPLE_FACTORS SU0012361 S00018471 Wild Type:yes | Mutants:no SUBJECT_SAMPLE_FACTORS SU0012362 S00018472 Wild Type:yes | Mutants:no SUBJECT_SAMPLE_FACTORS SU0012363 S00018473 Wild Type:no | Mutants:yes SUBJECT_SAMPLE_FACTORS SU0012364 S00018474 Wild Type:no | Mutants:yes SUBJECT_SAMPLE_FACTORS SU0012365 S00018475 Wild Type:no | Mutants:yes SUBJECT_SAMPLE_FACTORS SU0012366 S00018476 Wild Type:no | Mutants:yes #COLLECTION CO:COLLECTION_SUMMARY none CO:SAMPLE_TYPE Serum #TREATMENT TR:TREATMENT_SUMMARY none #SAMPLEPREP SP:SAMPLEPREP_SUMMARY none SP:SAMPLEPREP_PROTOCOL_FILENAME Acyl-carnitines analysis protocol-CR-MK-20150528.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY none CH:CHROMATOGRAPHY_TYPE None CH:INSTRUMENT_NAME Unspecified CH:COLUMN_NAME ACQUITY UPLC RP18, 2.1mm X 50mm (Waters) CH:METHODS_FILENAME QM-004-Xbridg2mm_ACar+_MRM-Insert-gradtest3.m.zip CH:METHODS_ID DQM0138 #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE QM-004-Xbridg2mm_ACar+_MRM-Insert-gradtest3.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6410A QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS µM MS_METABOLITE_DATA_START Samples S00018461 S00018462 S00018463 S00018464 S00018465 S00018466 S00018467 S00018468 Factors Wild Type:yes | Mutants:no Wild Type:yes | Mutants:no Wild Type:yes | Mutants:no Wild Type:yes | Mutants:no Wild Type:no | Mutants:yes Wild Type:no | Mutants:yes Wild Type:no | Mutants:yes Wild Type:no | Mutants:yes CARNITINE 17.2835 19.0852 20.2842 18.4263 19.4238 18.5362 15.4974 14.3403 ACETYLCARNITINE 9.7257 8.9983 9.9202 10.7182 8.9985 10.2310 8.5501 7.3521 PROPIONYLCARNITINE 0.3493 0.3086 0.3418 0.3730 0.3863 0.3128 0.2432 0.2277 ISO-/BUTYRYLCARNITINE 0.1484 0.1349 0.1642 0.1542 0.1919 0.1197 0.1140 0.1049 ISOVALERYL-/2-METHYLBUTYRYLCARNITINE 0.0339 0.0344 0.0291 0.0399 0.0333 0.0315 0.0196 0.0205 HEXANOYLCARNITINE 0.0057 0.0078 0.0074 0.0089 0.0045 0.0097 0.0082 0.0037 GLUTARYLCARNITINE 0.0017 0.0019 0.0020 0.0020 0.0013 0.0024 0.0023 0.0010 OCTENOYLCARNITINE 0.0003 0.0003 0.0004 0.0005 0.0003 0.0004 0.0004 0.0002 OCTANOYLCARNITINE 0.0016 0.0022 0.0018 0.0023 0.0012 0.0021 0.0019 0.0012 DECENOYLCARNITINE 0.0021 0.0031 0.0025 0.0030 0.0014 0.0028 0.0023 0.0015 DECANOYLCARNITINE 0.0022 0.0034 0.0028 0.0042 0.0020 0.0036 0.0030 0.0020 DODECENOYLCARNITINE 0.0016 0.0017 0.0016 0.0017 0.0013 0.0021 0.0015 0.0010 LAUROYLCARNITINE 0.0044 0.0057 0.0049 0.0058 0.0044 0.0052 0.0050 0.0037 3-HYDROXYLAUROYLCARNITINE 0.0007 0.0010 0.0007 0.0006 0.0005 0.0010 0.0007 0.0005 TETRADECADIENOYLCARNITINE 0.0024 0.0025 0.0027 0.0031 0.0017 0.0035 0.0029 0.0014 TETRADECENOYLCARNITINE 0.0105 0.0132 0.0140 0.0182 0.0098 0.0184 0.0157 0.0081 MYRISTOYLCARNITINE 0.0239 0.0269 0.0263 0.0303 0.0246 0.0343 0.0279 0.0198 3-HYDROXYMYRISTOYLCARNITINE 0.0016 0.0023 0.0020 0.0020 0.0015 0.0027 0.0020 0.0014 PALMITOLEYLCARNITINE 0.0160 0.0185 0.0215 0.0273 0.0144 0.0276 0.0234 0.0120 PALMITOYLCARNITINE 0.1127 0.1166 0.1148 0.1394 0.1004 0.1262 0.1266 0.0858 3-HYDROXYPALMITOYLCARNITINE 0.0036 0.0049 0.0039 0.0036 0.0032 0.0049 0.0038 0.0023 LINOLEOYLCARNITINE 0.0171 0.0232 0.0231 0.0268 0.0157 0.0250 0.0242 0.0140 OLEOYLCARNITINE 0.0629 0.0639 0.0803 0.0970 0.0524 0.1008 0.0869 0.0434 STEAROYLCARNITINE 0.0375 0.0470 0.0462 0.0443 0.0400 0.0422 0.0400 0.0319 3-HYDROXYLINOLEYLCARNITINE 0.0031 0.0040 0.0043 0.0045 0.0027 0.0058 0.0041 0.0020 ARACHIDONYLCARNITINE 0.0025 0.0030 0.0032 0.0032 0.0024 0.0037 0.0032 0.0020 EICOSATRIENOYLCARNITINE 0.0007 0.0007 0.0005 0.0007 0.0006 0.0008 0.0007 0.0005 EICOSADIENOYLCARNITINE 0.0013 0.0014 0.0015 0.0016 0.0011 0.0015 0.0014 0.0009 EICOSENOYLCARNITINE 0.0046 0.0044 0.0047 0.0054 0.0037 0.0050 0.0047 0.0025 EICOSANOYLCARNITINE 0.0009 0.0012 0.0010 0.0012 0.0007 0.0006 0.0006 0.0005 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID CARNITINE 288 ACETYLCARNITINE 1 PROPIONYLCARNITINE 107738 ISO-/BUTYRYLCARNITINE 213144 ISOVALERYL-/2-METHYLBUTYRYLCARNITINE 6426851 HEXANOYLCARNITINE 3082079 GLUTARYLCARNITINE 71317118 OCTENOYLCARNITINE 77908888 OCTANOYLCARNITINE 123701 DECENOYLCARNITINE 57357170 DECANOYLCARNITINE 10245190 3-HYDROXYLAUROYLCARNITINE 71464535 DODECENOYLCARNITINE 87087953 LAUROYLCARNITINE 10427569 TETRADECADIENOYLCARNITINE 87087940 3-HYDROXYMYRISTOYLCARNITINE 71464541 TETRADECENOYLCARNITINE 87088002 MYRISTOYLCARNITINE 6426854 3-HYDROXYPALMITOYLCARNITINE 71464553 PALMITOLEYLCARNITINE 76040365 PALMITOYLCARNITINE 11953816 ARACHIDONYLCARNITINE 53477832 3-HYDROXYLINOLEYLCARNITINE 71464556 EICOSATRIENOYLCARNITINE 54500892 LINOLEOYLCARNITINE 53477834 EICOSADIENOYLCARNITINE 71464509 OLEOYLCARNITINE 6441392 STEAROYLCARNITINE 6426855 EICOSENOYLCARNITINE 71464507 EICOSANOYLCARNITINE 53477833 METABOLITES_END #END