#METABOLOMICS WORKBENCH araskind_20170619_184011 DATATRACK_ID:1061 STUDY_ID:ST000757 ANALYSIS_ID:AN001188 PROJECT_ID:PR000546 VERSION 1 CREATED_ON July 4, 2017, 2:48 pm #PROJECT PR:PROJECT_TITLE Tubuloglomerular feedback and salt-sensitive hypertension PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY When TGF changes, does metabolics change PR:INSTITUTE University of South Florida PR:DEPARTMENT Molecular Pharmacology & Physiology PR:LABORATORY Liu Lab PR:LAST_NAME Liu PR:FIRST_NAME Ruisheng PR:ADDRESS Tampa, FL PR:EMAIL ruisheng@health.usf.edu PR:PHONE 813-396-9107 #STUDY ST:STUDY_TITLE Tubuloglomerular feedback and salt-sensitive hypertension ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Collect whole blood in tubes containing EDTA, gently invert tubes 10 times and ST:STUDY_SUMMARY cool as soon as practical on ice. Centrifuge to separate plasma as soon as ST:STUDY_SUMMARY practical, transfer to appropriately labeled tubes, and freeze immediately. I ST:STUDY_SUMMARY test basal glucose and plasma store plasma in -20C for one day then transfer to ST:STUDY_SUMMARY -80C. The next day, inject STZ 60 mg/kg ip. After 3 days, check for increased ST:STUDY_SUMMARY glucose and extract plasma for early stage diabetic sample >300 mg/dl. Store in ST:STUDY_SUMMARY -20C and then -80C. 30 days after initial injection, extract plasma and store in ST:STUDY_SUMMARY -20C and then -80C. 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 9 ST:TOTAL_SUBJECTS 2 #SUBJECT SU:SUBJECT_TYPE Rat SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10114 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0012973 S00019343 Days:NA | Gene:wild type | STZ injection:no SUBJECT_SAMPLE_FACTORS SU0012973 S00019344 Days:3 days | Gene:non wild type | STZ injection:yes SUBJECT_SAMPLE_FACTORS SU0012973 S00019345 Days:30 days | Gene:non wild type | STZ injection:yes SUBJECT_SAMPLE_FACTORS SU0012973 S00019346 Days:3 days | Gene:wild type | STZ injection:no SUBJECT_SAMPLE_FACTORS SU0012973 S00019347 Days:NA | Gene:non wild type | STZ injection:yes SUBJECT_SAMPLE_FACTORS SU0012973 S00019348 Days:30 days | Gene:non wild type | STZ injection:yes SUBJECT_SAMPLE_FACTORS SU0012973 S00019349 Days:NA | Gene:wild type | STZ injection:no SUBJECT_SAMPLE_FACTORS SU0012973 S00019350 Days:3 days | Gene:non wild type | STZ injection:yes SUBJECT_SAMPLE_FACTORS SU0012973 S00019351 Days:30 days | Gene:non wild type | STZ injection:yes SUBJECT_SAMPLE_FACTORS SU9999996 S00020155 Days:Pooled | Gene:Pooled plasma | STZ injection: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 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A003 - Untargeted Metabolomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples S00019343 S00019344 S00019345 S00019346 S00019347 S00019348 S00019349 S00019350 S00019351 Factors Days:NA | Gene:wild type | STZ injection:no Days:3 days | Gene:non wild type | STZ injection:yes Days:30 days | Gene:non wild type | STZ injection:yes Days:3 days | Gene:wild type | STZ injection:no Days:NA | Gene:non wild type | STZ injection:yes Days:30 days | Gene:non wild type | STZ injection:yes Days:NA | Gene:wild type | STZ injection:no Days:3 days | Gene:non wild type | STZ injection:yes Days:30 days | Gene:non wild type | STZ injection:yes 18:0 LYSO-PE (M-H)- 10441 23903 120121 133770 39352 80287 108142 22132 250070 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 68458 85167 1641488 40466 86760 40117 59895 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)- 215939 5454 225593 2-HYDROXYBUTYRATE (M-H)- 30514 21716 55184 5226 24308 18255 3-(4-HYDROXYPHENYL)LACTATE (M-H)- 34181 37873 26397 39806 43025 5615 48983 40848 14166 3-HYDROXY-3-METHYLGLUTARATE (M-H)- 171981 380395 1437504 172444 1687676 151430 180421 642590 633358 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (M-H)- 1045 3842 6319 8579 2765 3388 4-HYDROXYBENZOATE (M-H)- 17636 2092 4245 5-VALEROLACTONE (M+HCOO)- 84507 10452 10159 58963 35328 ADENOSINE 5'-MONOPHOSPHATE (M-H)- 1426 3220 3944 1412 1655 3429 1389 ADIPIC ACID (M-H)- 12981 6720 73912 14103 41790 15095 20745 BEHENIC ACID (M-H)- 5176 8827 16300 5657 20417 9311 4989 9643 14719 BENZOATE (M-H)- 7961 7550 8531 7004 6903 3215 7004 5434 5570 CHOLATE (M-H)- 60904 340794 458470 36306 26568 793102 13486 5654 879631 CIS-11-EICOSENOIC ACID (M-H)- 17916 107461 45283 50179 220106 18685 30575 130452 45022 CITRAMALATE (M-H)- 39955 50643 142290 36876 30990 34180 34673 69209 DEOXYADENOSINE (M+CL)- 14376 17718 16140 15913 33674 5371 12908 12950 12638 DEOXYCHOLIC ACID (M+CL)- 1915 2058 2921 2021 1865 3041 1591 4164 DEOXYCHOLIC ACID (M-H)- 10805 15118 44222 11711 30139 DEOXYURIDINE (M-H)- 5847 7932 8673 8936 10486 4506 5613 11817 9504 ERUCIC ACID (M-H)- 2795 10323 8279 6364 23637 4136 3955 15812 7623 GIBBERELLIC ACID [ISTD] (M-H)- 277827 277914 302447 276833 283793 72938 283049 282879 272041 GLUCONIC ACID (M-H)- 2382 6995 2053 5805 34382 2241 2743 8053 GLYCOCHOLATE (M-H)- 3765 428179 69339 7753 264644 1286 9273 109839 HYODEOXYCHOLATE (M-H)- 521725 545418 466837 287369 104507 530929 495402 429047 471881 ISOLEUCINE (M-H)- 52016 86730 369738 25112 54251 34348 44523 67930 215114 LAURIC ACID (M-H)- 5354 2203 5367 3775 1469 LITHOCHOLIC ACID (M+HCOO)- 2044 2529 2510 1421 1870 2244 MALATE (M-H)- 95290 88215 98906 113139 97573 128293 92163 85785 76101 MEVALONIC ACID (M-H)- 10872 34924 108506 20371 56324 21290 15566 20768 105389 OLEIC ACID (M-H)- 947717 5848764 1854446 1498629 6093694 726121 1127618 6236747 1825724 PANTOTHENATE (M+CL)- 3854 5414 21067 5256 3417 3942 PHENYLALANINE (M-H)- 117442 97914 54484 117657 74897 9797 107969 54491 RETINOATE (M-H)- 8220 5001 23325 8306 11365 9463 4616 14054 RIBOFLAVIN (M+CL)- 3557 2421 S-ADENOSYL-L-HOMOCYSTEINE (M-H)- 1830 3103 8321 2053 1588 1353 3134 3332 1675 TRICOSANOIC ACID (M-H)- 3143 5819 5799 4516 6548 4441 5990 7329 4524 TYROSINE (M-H)- 20146 26139 13847 22674 6259 23745 28905 URATE (M-H)- 64969 69313 50207 72997 51045 31896 66593 78371 58675 URIDINE (M-H)- 27626 55346 42365 39507 35014 18092 24651 64533 59052 URSODIOL (M+HCOO)- 11318 28323 45945 14936 5397 87234 5813 77649 URSODIOL (M-H)- 5648 24826 44222 12456 29945 15011 27199 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 18:0 LYSO-PE (M-H)- 481.316 22.655 9547068 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 118.0629 3.461 853180 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)- 150.0345 3.328 11427 2-HYDROXYBUTYRATE (M-H)- 104.0477 1.703 11266 3-(4-HYDROXYPHENYL)LACTATE (M-H)- 182.0575 3.728 9378 3-HYDROXY-3-METHYLGLUTARATE (M-H)- 162.0532 1.618 1662 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (M-H)- 189.0409 4.942 3845 4-HYDROXYBENZOATE (M-H)- 138.0316 4.108 135 5-VALEROLACTONE (M+HCOO)- 100.0524 1.799 10953 ADENOSINE 5'-MONOPHOSPHATE (M-H)- 347.0618 0.966 6083 ADIPIC ACID (M-H)- 146.0576 3.567 196 BEHENIC ACID (M-H)- 340.3337 24.099 8215 BENZOATE (M-H)- 122.0369 4.966 243 CHOLATE (M-H)- 408.2874 20.322 221493 CIS-11-EICOSENOIC ACID (M-H)- 310.287 23.269 5282768 CITRAMALATE (M-H)- 148.0377 1.399 441696 DEOXYADENOSINE (M+CL)- 251.0982 1.783 13730 DEOXYCHOLIC ACID (M+CL)- 392.2917 21.683 222528 DEOXYCHOLIC ACID (M-H)- 392.2914 21.704 222528 DEOXYURIDINE (M-H)- 228.0746 1.618 13712 ERUCIC ACID (M-H)- 338.3176 23.669 5281116 GIBBERELLIC ACID [ISTD] (M-H)- 346.1414 8.497 6466 GLUCONIC ACID (M-H)- 196.0584 0.678 10690 GLYCOCHOLATE (M-H)- 465.3086 18.845 10140 HYODEOXYCHOLATE (M-H)- 392.2929 22.842 5283820 ISOLEUCINE (M-H)- 131.0945 1.613 6306 LAURIC ACID (M-H)- 200.1767 21.774 3893 LITHOCHOLIC ACID (M+HCOO)- 376.2916 22.281 9903 MALATE (M-H)- 134.0222 0.851 222656 MEVALONIC ACID (M-H)- 148.0721 1.579 439230 OLEIC ACID (M-H)- 282.2566 22.943 445639 PANTOTHENATE (M+CL)- 219.1083 3.238 6613 PHENYLALANINE (M-H)- 165.0789 2.515 6140 RETINOATE (M-H)- 300.2093 22.29 444795 RIBOFLAVIN (M+CL)- 376.1359 7.632 493570 S-ADENOSYL-L-HOMOCYSTEINE (M-H)- 384.1253 1.395 439155 TRICOSANOIC ACID (M-H)- 354.3495 24.396 17085 TYROSINE (M-H)- 181.0729 1.362 6057 URATE (M-H)- 168.0291 1.073 1175 URIDINE (M-H)- 244.0708 1.364 6029 URSODIOL (M+HCOO)- 392.2917 21.596 31401 URSODIOL (M-H)- 392.2897 21.631 31401 METABOLITES_END #END