#METABOLOMICS WORKBENCH araskind_20150608_9304711_mwtab.txt DATATRACK_ID:286 STUDY_ID:ST000218 ANALYSIS_ID:AN000322 PROJECT_ID:PR000160 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Hirschprung Associated Enterocolitis Studies PR:PROJECT_SUMMARY Assess for correlations between SCFA content and history of HAEC PR:INSTITUTE University of Michigan PR:DEPARTMENT Surgery PR:LABORATORY Teitelbaum Lab PR:LAST_NAME Teitelbaum PR:FIRST_NAME Daniel PR:ADDRESS Ann Arbor, MI PR:EMAIL dttbm@umich.edu PR:PHONE 734-936-8464 #STUDY ST:STUDY_TITLE Role of Microbiome in Psoriatic Arthritis (SCFA in PsA) ST:STUDY_SUMMARY To investigate associations of gut and skin microbiota diversity with psoriatic ST:STUDY_SUMMARY pathogenesis.Characterize the abundance and diversity of gut microbiota in ST:STUDY_SUMMARY with never-treated, new-onset psoriatic arthritis (PsA). Methods: ST:STUDY_SUMMARY 16s rRNA pyrosequencing was utilized to compare the community composition of ST:STUDY_SUMMARY microbiota in PsA patients, psoriasis patients and healthy, matched controls. ST:STUDY_SUMMARY from patients with PsA, psoriasis of the skin (Ps), new-onset rheumatoid ST:STUDY_SUMMARY (NORA) and healthy controls were assessed for the presence and levels of fecal ST:STUDY_SUMMARY immunoglobulin A (sIgA) and various proteins and pro-inflammatory cytokines 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@umich.edu ST:PHONE - ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 89 #SUBJECT SU:SUBJECT_TYPE - 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 SU0003064 S00013304 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013305 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013306 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013307 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013308 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013309 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013310 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013311 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013312 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013313 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013314 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013315 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013316 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013317 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013318 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003064 S00013319 Disease Group:HLT SUBJECT_SAMPLE_FACTORS SU0003067 S00013368 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013369 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013370 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013371 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013372 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013373 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013374 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013375 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013376 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013377 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013378 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013379 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013380 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013381 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013382 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013383 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013384 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013385 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013386 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013387 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013388 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013389 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013390 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013391 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003067 S00013392 Disease Group:NORA SUBJECT_SAMPLE_FACTORS SU0003066 S00013344 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013345 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013346 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013347 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013348 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013349 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013350 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013351 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013352 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013353 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013354 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013355 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013356 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013357 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013358 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013359 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013360 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013361 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013362 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013363 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013364 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013365 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013366 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003066 S00013367 Disease Group:Ps SUBJECT_SAMPLE_FACTORS SU0003065 S00013320 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013321 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013322 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013323 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013324 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013325 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013326 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013327 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013328 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013329 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013330 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013331 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013332 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013333 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013334 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013335 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013336 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013337 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013338 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013339 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013340 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013341 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013342 Disease Group:PsA SUBJECT_SAMPLE_FACTORS SU0003065 S00013343 Disease Group:PsA #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME SCFA_analysis_protocol-2015-03-10.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME - CH:COLUMN_NAME Phenomenex Zebron ZB-WAXplus (30m x 0.25mm, 0.25um) CH:METHODS_ID AQM030 CH:METHODS_FILENAME WAXPLUS_100-200C_2_SIM.M.txt #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE WAXPLUS_100-200C_2_SIM.M.txt AN:PROCESSING_PARAMETERS_FILE EX00263-SCFA-Quant-methods.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/mg sample dry weight MS_METABOLITE_DATA_START Samples S00013304 S00013305 S00013306 S00013307 S00013308 S00013309 S00013310 S00013311 S00013312 S00013313 S00013314 S00013315 S00013316 S00013317 S00013318 S00013319 S00013368 S00013369 S00013370 S00013371 S00013372 S00013373 S00013374 S00013375 S00013376 S00013377 S00013378 S00013379 S00013380 S00013381 S00013382 S00013383 S00013384 S00013385 S00013386 S00013387 S00013388 S00013389 S00013390 S00013391 S00013392 S00013344 S00013345 S00013346 S00013347 S00013348 S00013349 S00013350 S00013351 S00013352 S00013353 S00013354 S00013355 S00013356 S00013357 S00013358 S00013359 S00013360 S00013361 S00013362 S00013363 S00013364 S00013365 S00013366 S00013367 S00013320 S00013321 S00013322 S00013323 S00013324 S00013325 S00013326 S00013327 S00013328 S00013329 S00013330 S00013331 S00013332 S00013333 S00013334 S00013335 S00013336 S00013337 S00013338 S00013339 S00013340 S00013341 S00013342 S00013343 Factors Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:HLT Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:NORA Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:Ps Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA Disease Group:PsA aceticacid 485.8121 30.9495 154.5307 84.4410 0.0000 0.0000 18.2367 0.0000 202.0687 96.7060 379.8548 0.0000 112.5298 76.7306 141.6080 100.5519 218.3577 0.0000 159.4855 248.5583 5.8793 0.0000 60.6653 51.0590 180.7168 170.1919 90.8415 2.2725 13.8202 311.2566 0.0000 370.4324 166.0314 0.0000 457.9286 277.6553 170.0613 146.0327 0.0000 1302.1429 35.8816 47.9068 18.5173 0.0000 13.1311 9.5990 119.3355 343.9676 16.2479 0.0000 0.0000 228.8735 172.7757 46.4288 50.9812 0.0000 0.0000 15.1007 135.3376 192.2374 102.1957 94.4385 0.0000 289.6119 201.0317 0.0000 0.0000 91.4613 38.6704 69.0724 140.5229 70.7629 270.3362 81.3353 58.2815 0.0000 0.0000 322.9506 47.2530 163.2265 402.6071 0.0000 0.3619 88.2690 4.9352 119.1489 31.3365 0.0000 13.2114 butyricacid 306.8418 19.3686 69.2235 35.1952 23.5674 12.9523 35.7714 15.1520 71.5117 43.7864 395.9516 31.1175 108.7432 83.1490 58.2880 40.4221 232.8954 158.2187 154.0290 317.9550 35.3828 87.6865 121.9121 209.8438 175.3097 47.5000 90.2131 83.0715 49.1180 211.5841 41.9000 193.9679 206.6502 105.1221 220.0000 173.4870 86.5337 245.7872 39.1099 700.2857 168.6028 46.1310 45.7949 9.8080 52.2476 62.3937 31.9771 199.7784 51.9530 112.1646 64.9131 122.1146 125.6776 50.4087 60.2495 30.6154 30.2344 39.2170 46.5442 63.0898 50.2726 57.6655 23.7034 280.6921 218.1144 18.1125 15.9418 12.6218 42.9900 58.3620 159.1347 88.4412 153.2500 44.3832 46.3126 33.4307 41.3317 154.2504 123.5179 139.1521 164.4018 83.7916 89.3482 65.6232 33.5680 118.0979 83.7736 13.1835 15.0542 heptanoicacid 50.4406 52.6848 52.0307 35.7542 56.1872 20.4899 42.3429 13.4515 44.9037 73.7240 98.1935 38.4771 33.1419 19.8406 64.6880 66.4042 45.1095 18.1137 44.2174 81.3190 30.4793 0.0000 25.8159 105.6250 53.9469 40.6120 74.9454 16.7849 42.5716 54.1947 20.0903 68.6123 50.8993 33.6730 171.2000 153.3467 64.5501 62.7834 12.3101 434.5714 20.3992 20.5165 7.3725 32.6501 24.9145 18.9642 33.1318 33.0378 5.9641 16.6334 13.8804 40.3887 28.7009 16.2047 21.6852 72.3681 73.9134 27.9670 30.2681 46.3014 29.6933 36.1584 19.0392 39.3984 0.0000 0.0000 16.8892 43.7536 37.9775 459.9367 23.2919 20.2378 0.0000 44.0639 64.2660 24.7445 38.2601 0.0000 21.3840 19.8447 38.4509 19.4981 10.5009 22.3397 8.3302 42.8468 36.6792 22.0791 30.7724 hexanoicacid 140.0478 40.6501 7.1160 20.3682 25.1370 3.6872 38.1184 1.9449 33.8987 72.7739 13.1129 16.3565 6.0238 4.0501 71.0400 49.0179 35.2616 5.7522 5.9348 76.8916 18.6414 5.2108 10.0544 13.2986 7.8850 20.5757 78.0710 3.2503 20.1833 11.6549 3.5258 57.1060 7.4175 16.0350 247.4857 149.4188 15.3067 82.3048 1.9158 57.2857 3.7492 2.6604 1.2037 13.2647 3.8966 17.2145 3.8725 7.7081 2.0667 8.4738 6.6991 9.0711 7.5467 19.1717 39.7335 32.3132 29.8332 5.5220 5.1440 5.4338 3.7926 4.5331 3.1810 6.9146 4.5363 3.2324 2.6981 6.1891 5.3683 565.0407 6.7871 4.0786 7.4741 7.3657 22.1503 3.9578 5.6344 6.7703 3.5004 3.2460 5.5227 3.0850 2.2693 12.9155 6.8509 31.4043 32.6698 7.0640 7.9991 iso-butyricacid 45.2601 43.7184 116.5529 31.5173 57.8653 55.4711 60.9837 46.2291 87.4414 67.8433 190.0161 65.6913 147.6977 53.4808 48.8880 49.0341 133.5827 245.6880 104.3043 102.7301 91.9621 97.4757 136.2552 194.1840 286.8938 53.4595 105.2350 62.2779 108.6942 72.1416 87.4290 137.7964 52.3845 164.8514 69.7143 137.9058 89.8262 350.3086 150.5077 701.2857 77.9674 35.3342 34.2244 31.8226 108.5057 85.1580 75.9314 63.8162 59.9895 156.3117 147.5352 133.3399 138.0888 23.4905 60.3296 66.0275 73.8683 84.9130 120.5114 11.5373 85.6183 92.8251 60.6437 66.1514 73.2883 88.7383 71.5596 25.8095 80.5743 74.4118 120.2972 75.0826 33.3448 73.2729 141.8135 128.7388 115.8229 57.1850 65.5046 87.8770 80.2960 117.6918 128.0652 81.6363 34.8338 107.2809 91.4371 47.0730 48.4959 isovalericacid 21.2473 21.3471 44.2491 18.3940 28.9212 22.2833 24.8694 16.2489 26.7714 29.4660 73.1290 27.7443 39.3770 16.8510 29.3760 30.1136 41.8674 67.0787 33.9348 43.3436 27.9655 28.3459 33.1339 65.7986 67.4159 24.1234 29.1311 23.0444 32.0218 40.7611 41.7129 37.2664 37.8713 43.5138 46.9714 44.9800 41.4519 73.9106 43.6813 308.9286 20.5755 13.5111 8.9851 17.4825 29.5725 26.7467 26.8791 25.0541 16.9750 53.9052 51.4156 37.8195 34.2009 9.2542 13.9526 28.0495 26.7583 28.0769 27.8500 25.7763 28.4226 31.8794 22.3010 27.3027 22.1600 22.6531 20.5706 25.4370 30.2247 26.1176 27.0617 18.1341 27.5431 30.7112 48.5665 36.6423 39.5352 27.0813 18.6685 22.6505 28.8413 38.7852 46.6192 24.9198 10.8025 36.7574 29.9623 17.9089 21.9874 propionicacid 144.7665 36.9224 123.6263 60.5501 39.2009 21.7776 32.2367 18.0463 111.6709 83.4605 237.0323 36.8555 100.3359 60.9987 90.9040 63.0276 252.7676 28.3936 110.9855 114.2536 34.6759 27.9838 56.4770 189.5660 132.2743 132.2822 71.6393 41.7118 56.6953 355.8938 17.4806 216.1994 135.6106 48.0308 236.3429 260.6313 165.8487 106.8703 19.7791 902.2143 85.2495 41.6948 25.8646 25.8031 39.0147 37.1416 135.7407 214.8703 13.9012 23.2544 17.5455 145.1845 109.4439 28.1929 38.1839 59.3846 51.5825 30.8883 48.0636 110.7610 87.9747 118.8534 31.5081 154.4308 117.4807 18.0493 14.8006 83.4814 79.6380 31.9095 133.8187 80.5812 128.8103 88.7808 95.2850 26.2490 48.5616 131.8900 49.8248 79.5340 140.0315 36.0710 21.5077 87.9045 21.2834 116.9362 45.6069 21.3911 36.8880 valericacid 69.9947 31.0056 30.4010 45.3372 46.4326 30.3172 41.1918 23.5507 89.8953 87.1498 60.9355 38.3784 69.8700 33.7703 61.7360 42.4838 113.6131 148.3499 61.4058 98.7117 44.1586 69.4216 74.4686 96.8750 112.7522 38.2573 82.8579 57.7384 59.3757 138.7611 75.2290 203.8633 86.8977 106.5234 108.0857 133.2966 68.9775 252.2166 12.2804 463.8571 78.9554 12.0257 6.1640 31.0754 16.2378 56.4550 19.9183 76.0054 40.7739 133.1372 131.9971 169.2161 141.3785 26.9828 50.1294 45.1209 47.1641 57.4588 52.9990 25.0457 150.7644 145.5083 39.6549 36.4942 28.0951 37.8129 33.8006 37.2206 45.9301 34.7511 66.2980 43.2464 31.9741 23.9187 69.1969 57.5345 59.6231 64.6890 64.1416 13.8900 22.9786 16.7775 13.3379 95.4665 54.8460 157.5957 107.6667 25.4255 29.7516 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 aceticacid 176 Acetate UM_Target_ID butyricacid 20975673 Butyrate UM_Target_ID heptanoicacid 8094 Heptanoate UM_Target_ID hexanoicacid 8892 Hexanoate UM_Target_ID iso-butyricacid 6590 iso-butyrate UM_Target_ID isovalericacid 10430 Isovalerate UM_Target_ID propionicacid 1032 Propionate UM_Target_ID valericacid 7991 Valerate UM_Target_ID METABOLITES_END #END