#METABOLOMICS WORKBENCH araskind_20150414_9317601_mwtab.txt DATATRACK_ID:234 STUDY_ID:ST000158 ANALYSIS_ID:AN000250 PROJECT_ID:PR000137 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Fecal Transplant Studies PR:PROJECT_SUMMARY Alterations in fecal bile acids before and after fecal transplant PR:INSTITUTE University of Michigan PR:DEPARTMENT Int Med-Infectious Diseases PR:LABORATORY Theriot Lab PR:LAST_NAME Theriot PR:FIRST_NAME Casey PR:ADDRESS Ann Arbor, MI PR:EMAIL caseythe@umich.edu PR:PHONE 734-763-4133 #STUDY ST:STUDY_TITLE Human fecal bile acid profiles before and after fecal transplant ST:STUDY_TYPE Understand the bile acid profiles from the feces of fecal microbiota transplant ST:STUDY_TYPE patients that successfully recover from recurrent C. difficile infection ST:STUDY_SUMMARY Understand the bile acid profiles from the feces of fecal microbiota transplant ST:STUDY_SUMMARY patients that successfully recover from recurrent C. difficile infection 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 8 ST:TOTAL_SUBJECTS 46 #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 SU0005330 S00016909 Patient:donor SUBJECT_SAMPLE_FACTORS SU0005332 S00016911 Patient:donor SUBJECT_SAMPLE_FACTORS SU0005334 S00016913 Patient:donor SUBJECT_SAMPLE_FACTORS SU0005303 S00016882 Patient:donor homogenized SUBJECT_SAMPLE_FACTORS SU0005311 S00016890 Patient:donor homogenized SUBJECT_SAMPLE_FACTORS SU0005318 S00016897 Patient:donor homogenized SUBJECT_SAMPLE_FACTORS SU0005326 S00016905 Patient:donor homogenized SUBJECT_SAMPLE_FACTORS SU0005304 S00016883 Patient:donor non-homogenized SUBJECT_SAMPLE_FACTORS SU0005312 S00016891 Patient:donor non-homogenized SUBJECT_SAMPLE_FACTORS SU0005319 S00016898 Patient:donor non-homogenized SUBJECT_SAMPLE_FACTORS SU0005327 S00016906 Patient:donor non-homogenized SUBJECT_SAMPLE_FACTORS SU0005352 S00016932 Patient:dudenum SUBJECT_SAMPLE_FACTORS SU0005353 S00016933 Patient:dudenum SUBJECT_SAMPLE_FACTORS SU0005354 S00016934 Patient:dudenum SUBJECT_SAMPLE_FACTORS SU0005355 S00016935 Patient:dudenum SUBJECT_SAMPLE_FACTORS SU0005356 S00016936 Patient:jejunum SUBJECT_SAMPLE_FACTORS SU0005300 S00016879 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005301 S00016880 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005302 S00016881 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005307 S00016886 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005308 S00016887 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005309 S00016888 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005310 S00016889 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005315 S00016894 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005316 S00016895 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005317 S00016896 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005322 S00016901 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005323 S00016902 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005324 S00016903 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005325 S00016904 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005331 S00016910 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005333 S00016912 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005335 S00016914 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005336 S00016915 Patient:post-FMT SUBJECT_SAMPLE_FACTORS SU0005298 S00016877 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005299 S00016878 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005305 S00016884 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005306 S00016885 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005313 S00016892 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005314 S00016893 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005320 S00016899 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005321 S00016900 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005328 S00016907 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005329 S00016908 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005357 S00016937 Patient:pre-FMT SUBJECT_SAMPLE_FACTORS SU0005358 S00016938 Patient:pre-FMT #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Serum #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Bile-acids-2015-03-11.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Waters Acquity BEH C18 (50 x 2mm, 1.7um) CH:METHODS_ID AQM030 CH:METHODS_FILENAME 2014-07-30-Bile_acid-full-BEH-C18-I_insert.m #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE 2014-07-30-Bile_acid-full-BEH-C18-I_insert.m AN:PROCESSING_PARAMETERS_FILE EX00382-BileAcids-Quant-method.m #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6520 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS mg/100mg (fecal), and mg/ml (serum, duodenum) MS_METABOLITE_DATA_START Samples S00016909 S00016911 S00016913 S00016882 S00016890 S00016897 S00016905 S00016883 S00016891 S00016898 S00016906 S00016932 S00016933 S00016934 S00016935 S00016936 S00016879 S00016880 S00016881 S00016886 S00016887 S00016888 S00016889 S00016894 S00016895 S00016896 S00016901 S00016902 S00016903 S00016904 S00016910 S00016912 S00016914 S00016915 S00016877 S00016878 S00016884 S00016885 S00016892 S00016893 S00016899 S00016900 S00016907 S00016908 S00016937 S00016938 Factors Patient:donor Patient:donor Patient:donor Patient:donor homogenized Patient:donor homogenized Patient:donor homogenized Patient:donor homogenized Patient:donor non-homogenized Patient:donor non-homogenized Patient:donor non-homogenized Patient:donor non-homogenized Patient:dudenum Patient:dudenum Patient:dudenum Patient:dudenum Patient:jejunum Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:post-FMT Patient:pre-FMT Patient:pre-FMT Patient:pre-FMT Patient:pre-FMT Patient:pre-FMT Patient:pre-FMT Patient:pre-FMT Patient:pre-FMT Patient:pre-FMT Patient:pre-FMT Patient:pre-FMT Patient:pre-FMT 3a_7a_12a-trihydroxycholestanoic acid 0.0000 0.0000 0.0000 0.0452 0.3374 0.0000 0.1022 0.0000 0.0000 0.0000 0.0000 3.4165 13.7877 39.2532 0.0000 72.8453 0.2413 0.0000 0.0291 0.0588 0.1137 0.0722 0.5402 0.0000 0.6204 0.4714 0.0000 0.1193 0.2346 0.0709 0.0000 3.1289 0.0000 0.0000 0.0000 0.0000 0.0437 0.1791 1.7339 1.5210 0.0946 0.0907 0.0000 0.0000 0.0000 0.0000 a-Muricholic acid 0.0000 0.0639 0.0000 0.0692 0.2685 0.2728 0.0457 0.1297 0.0312 0.0894 0.0350 0.0495 0.0000 0.1321 0.0000 0.1530 0.0238 0.0329 0.0618 0.0269 0.0319 0.0101 0.0357 0.1628 0.5024 0.1723 0.0552 0.1518 0.0458 0.0000 0.0000 0.0000 0.0000 0.0769 0.0172 0.0589 0.0010 0.0099 0.0129 0.0000 0.0000 0.0000 0.5561 0.1554 0.1386 0.0000 b-Muricholic acid 0.0000 0.1086 0.0000 0.0158 1.3274 0.6415 0.1910 0.0000 0.2877 0.3907 0.2201 0.0000 0.0000 0.0000 0.0000 0.0000 0.1946 0.0000 0.9304 3.5077 0.0547 0.2516 3.7660 0.6819 0.8315 0.4640 1.5440 0.9948 0.4557 0.4630 0.0000 0.7897 0.0000 0.0000 2.9163 4.5744 0.0899 0.4156 2.9743 3.2865 10.0307 11.9897 0.1376 0.2686 0.9332 0.3190 Chenodeoxycholic acid 0.0000 0.0000 0.0000 0.0000 39.5038 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.5413 0.0000 0.0410 0.0000 0.0752 0.0000 0.0000 0.0000 4.1052 184.8283 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 50.4625 0.0808 0.3975 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 298.8712 870.4482 0.0000 0.0000 0.0000 0.0000 Cholic acid 0.6407 0.8170 3.8205 0.3099 12.3681 1.1447 1.3138 0.2299 1.4110 0.8036 0.1486 20.0007 5.8298 16.8994 1.4773 40.8171 0.4860 0.8718 4.8609 31.6842 47.1048 2.6114 62.5855 0.4129 4.2456 0.1289 44.8137 26.5586 4.8875 10.0089 0.9023 4.6672 0.8964 3.0031 85.6080 73.5198 7.7108 38.6258 32.0570 61.7995 61.5298 61.2187 1.7541 0.7235 2.4681 1.0752 Deoxycholic acid 4.8733 12.9730 23.7002 59.4267 165.8839 182.1619 330.5898 57.0940 193.6536 253.3745 318.2222 16.4380 22.7169 2.6873 11.2694 8.0036 391.9479 68.0961 513.9379 312.6350 239.6883 1429.2197 23.0537 2601.5851 2652.1018 2974.7429 4541.0596 1433.7586 440.4301 163.4071 6.0753 30.9414 35.3178 19.6653 268.1973 33.9759 38.2706 45.6989 196.9329 248.3536 213.1178 1494.3662 9.0881 4.9714 10.0291 17.2482 Glychocholic acid 0.5980 0.7603 0.2076 0.0621 0.4372 0.2680 0.1344 0.2521 0.0032 0.1609 0.0338 1307.2036 1935.3209 2706.8662 668.7352 2833.5914 0.0174 0.0328 0.0447 0.2029 0.1615 0.1336 0.5020 0.2761 0.4061 1.2930 0.1192 0.1383 0.1159 0.1464 3.9078 0.2752 0.4475 3.5442 0.1696 0.2554 0.3431 0.9173 30.4058 44.4818 0.7055 0.4143 4.1727 0.6520 2.1322 0.8502 Glycochenodeoxycholic acid 0.9367 7.4819 4.0523 0.0569 1.5724 0.3513 0.3489 0.4580 0.0236 0.3263 0.1650 2627.6393 2456.6253 1197.8057 423.4580 1599.0192 0.1426 0.0134 0.0428 0.1771 0.1687 0.9401 0.5736 0.1381 0.5612 0.9694 6.5890 6.0337 0.2219 0.4717 10.0020 2.8581 2.2519 8.0815 1.2528 0.1869 1.5538 3.0801 83.6656 117.7617 0.8808 1.5911 53.8198 2.6038 4.8863 3.5043 Glycodeoxycholic acid 1.4699 5.1865 0.7447 0.0127 0.7824 0.8982 0.4606 0.2499 0.1208 0.4084 0.0880 1389.3920 2119.8668 941.7017 326.5800 1403.9552 0.0647 0.0227 0.3443 0.0488 0.0869 2.1785 0.0049 1.2721 2.4644 9.0335 21.8141 5.6134 0.8813 0.2764 0.8859 1.6680 1.3192 15.5081 0.0330 0.0307 0.0009 0.0000 0.0942 0.2211 0.0629 0.1350 0.0767 0.0614 0.3168 0.2719 Glycohyocholic acid 0.0000 0.8118 0.0000 0.0000 0.0898 0.0000 0.0000 0.0000 0.0000 0.0000 0.0659 23.0507 58.5291 136.4537 6.0703 245.1532 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.1660 0.0000 0.0000 0.0000 0.0000 0.0321 0.0000 0.0000 0.0000 0.0000 0.0000 0.0308 0.0182 0.2303 5.2607 6.9282 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Glycohyodeoxycholic acid 0.0000 0.0000 0.0000 0.0010 0.1617 0.0055 0.0008 0.0056 0.0003 0.0013 0.0016 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0012 0.0009 0.0011 0.0184 0.0000 0.0178 0.0000 0.0024 0.0000 0.0042 0.0000 0.0000 0.0000 0.0000 0.0325 0.0040 0.0020 0.0000 0.0000 0.0000 0.0097 0.3845 0.0000 0.0000 0.0126 0.0000 0.0000 Glycolithocholic acid 0.0000 115.2581 0.0000 6.4859 28.4456 41.9447 18.5767 195.9975 7.3383 8.4406 10.1186 49425.9173 3533.6263 2253.7364 4093.5681 810.5717 142.9585 8.8357 13.7216 30.7842 4.4309 105.1379 0.0000 0.0000 57.4097 276.6067 2068.1206 1177.1672 211.1961 24.3523 0.0000 0.0000 235.0433 53.2988 2.0840 3.2685 0.0000 6.2108 75.8763 119.2787 1.7553 7.9327 0.0000 0.0000 0.0000 95.0057 Glycoursodeoxycholic acid 0.0580 1.2079 0.1875 0.0006 0.1264 0.0665 0.0566 0.0370 0.0021 0.0123 0.0159 860.2666 125.9890 59.6252 231.7078 258.1362 0.0031 0.0011 0.0002 0.0181 0.0101 0.0125 0.1724 0.0212 0.0907 0.2187 0.0440 0.5331 0.0188 0.0208 0.5555 0.3390 0.0179 0.1453 0.0124 0.0102 0.0113 0.0261 0.3454 0.4053 0.3005 0.1058 0.1189 0.0107 0.0152 3.6378 g-Muricholic acid (hyocholic acid) 0.1083 0.2295 0.5482 0.0352 0.7007 9.9017 0.7347 0.0257 0.2530 2.7408 0.3819 0.1093 0.2332 0.0553 0.1181 0.2795 0.0322 0.4167 0.8852 0.1102 0.0652 0.0490 0.4170 8.5002 12.1132 4.5196 0.5136 0.1073 0.3168 0.5530 0.4717 0.0958 0.4019 0.3163 1.8741 2.5647 0.0144 0.0804 0.2322 0.2567 2.4590 0.3285 0.2861 0.0000 0.1865 1.1006 Hyodeoxycholic acid 0.0000 0.2849 0.6493 2.7632 0.2740 15.9956 83.8383 5.1504 54.6988 3.6910 71.4516 0.7176 1.8741 0.4894 0.2202 0.4842 20.3253 12.3261 170.4227 0.0000 8.4392 0.0000 0.0000 3.8112 2.0221 956.8714 218.4122 85.8313 35.3003 8.9747 0.0000 0.2705 0.9969 1.8903 0.0000 0.0101 0.0000 0.0000 0.0013 0.0101 0.0000 0.0000 0.1869 0.3889 0.3031 0.2593 Isolithocholic acid 190.6941 76.4774 154.8420 381.3000 389.3000 396.3000 404.3000 382.3000 390.3000 397.3000 405.3000 633.6651 207.1281 26.6332 1552.1117 82.9302 378.3000 379.3000 380.3000 385.3000 386.3000 387.3000 388.3000 393.3000 394.3000 395.3000 400.3000 401.3000 402.3000 403.3000 148.0750 238.7493 180.3255 1576.4346 376.3000 377.3000 383.3000 384.3000 391.3000 392.3000 398.3000 399.3000 5097.9493 568.4670 1540.8420 698.0347 Lithocholic acid 12.3882 77.8700 130.6271 50.7433 70.2075 151.2191 125.1726 176.0340 55.2961 81.4898 61.2800 321.0466 41.6850 19.0999 465.8280 57.2080 534.1823 67.7626 188.2160 60.5833 15.1696 360.5011 1.1713 943.9475 798.7626 478.5437 1272.3870 620.8820 288.4532 78.3794 10.1820 10.7817 127.3604 541.6880 72.6708 3.0765 0.3322 16.0251 0.0000 0.0000 5.1471 179.6900 1321.4329 172.9119 213.1498 620.7118 Tauro-alpha-muricholic acid 3.6930 0.0000 0.0000 0.0000 0.6611 0.0000 0.3463 0.0000 0.0000 0.0000 0.2472 0.0000 7.1361 27.2498 11.7559 65.7080 0.0000 0.2590 0.2948 4.8120 0.0000 0.8465 5.3472 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5.6193 0.0000 0.0000 0.0000 0.0000 0.2039 0.1251 0.9774 0.2049 23.7768 18.8020 0.0000 0.0000 0.0000 0.0000 Tauro-beta-muricholic acid 3.5025 0.0000 0.4514 0.0527 0.9564 0.0000 1.0525 0.0000 0.0000 0.0000 0.3891 21.0591 24.7674 114.8911 9.9362 122.9558 0.0293 0.2721 0.2830 0.0211 0.0296 0.7159 4.4076 0.0000 0.0511 0.1951 0.0000 0.0000 0.0000 0.0000 0.0000 2.6444 0.0000 0.0000 0.0000 0.0000 0.1706 0.1266 0.8209 0.2546 19.0367 15.0304 0.0000 0.0000 0.0000 0.0000 Taurochenodeoxycholic acid 1.2689 0.5209 0.2079 0.0116 1.8970 0.1257 0.0874 0.1305 0.0053 0.0833 0.0354 357.8997 1130.2831 1117.0087 88.3700 1583.9710 0.0291 0.0119 0.0018 0.1155 0.0986 0.0019 0.2264 0.0851 0.2072 0.2178 0.9730 1.5536 0.0820 0.2429 0.3729 0.3841 0.0990 1.5556 0.0526 0.0390 7.9562 16.9605 4.9264 6.1399 3.1955 1.0758 4.1837 0.1590 0.4783 0.2542 Taurocholic acid 0.0000 0.0000 0.0000 0.0000 1.5481 0.1173 0.0214 0.0776 0.0000 0.0000 0.0000 279.6524 1428.6064 3917.6063 113.2276 3279.5147 0.0598 0.0531 0.0610 0.4177 0.6666 0.0250 1.2514 0.0779 0.9205 0.3328 0.0000 0.0222 0.0000 0.0358 0.2487 0.0000 0.0000 1.9953 0.0877 0.0000 7.4342 8.7569 19.2705 22.9075 33.3961 6.0558 3.0423 0.0000 0.0000 0.0000 Taurodeoxycholic acid 0.9388 0.6107 0.2169 0.0037 4.0492 0.1128 0.0803 0.0432 0.0329 0.0607 0.0281 123.2552 852.6914 749.7474 44.9862 1412.2652 0.0047 0.0130 0.1223 0.4188 0.0626 1.5969 0.0285 0.0857 0.1786 0.3044 0.8754 0.2673 0.0934 0.9048 0.2049 0.2852 0.1463 3.2161 0.0030 0.0084 0.0036 0.0000 0.0058 0.0493 1.6684 0.2973 0.0000 0.0587 0.0490 0.0830 Taurolithocolic acid 0.6998 0.3653 0.8599 0.0034 1.4019 0.0125 0.1387 0.2199 0.0109 0.0392 0.1847 4.7883 11.1318 6.0104 0.8098 2.6013 0.0539 0.0090 0.0830 0.5641 0.1283 3.9832 3.3166 0.0600 0.6904 0.1580 0.2885 0.3043 0.2230 0.2933 0.2618 0.2572 2.1712 0.2482 0.0347 0.2003 0.0376 0.0102 0.1504 4.8235 0.1497 1.0687 0.0895 0.1000 0.1718 0.5407 Tauroursodeoxycholic acid/Tauro-hyodeoxycholic acid 0.0975 0.1098 0.0987 0.0098 0.1232 0.0122 0.0099 0.0212 0.0020 0.0149 0.0084 26.0641 17.7351 7.7406 10.7220 49.0644 0.0061 0.0051 0.0072 0.1084 0.0109 0.0307 0.2277 0.0180 0.0530 0.0153 0.0109 0.0793 0.0080 0.0202 0.0854 0.1157 0.0856 0.0965 0.0098 0.0084 0.0391 0.0694 0.0451 0.0606 1.0320 0.7174 0.0930 0.0856 0.0902 0.1178 Ursodeoxycholic acid 0.5053 0.5126 1.1186 0.0240 30.9107 11.6755 0.0776 0.0874 0.0678 1.9818 0.0000 4.9713 1.9637 0.0000 0.0965 0.1174 0.2144 0.0253 0.2276 38.6342 7.4681 23.9296 128.3077 3.3860 4.6327 2.3318 19.1266 2.8840 0.4355 12.3558 0.3023 0.6037 0.0949 1.0853 2.8885 1.2447 0.9653 1.0354 0.3364 0.4357 220.9614 706.3128 0.3118 0.0309 0.0415 0.9640 w-Muricholic acid 0.0794 0.1347 0.5702 0.0409 16.3651 22.4549 0.5037 0.0473 0.5403 5.0295 0.0817 0.2364 0.1444 0.0924 0.0000 0.3485 0.0891 0.0608 2.0929 25.0660 3.6957 4.4451 29.8119 37.6664 55.9009 23.2763 0.0000 0.9828 0.0675 3.7158 0.1919 0.2725 0.0668 0.5255 0.3687 0.7595 0.0090 0.0467 0.7415 0.7102 99.3565 105.3731 0.0000 0.0000 0.0000 0.4864 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 3a,7a,12a-trihydroxycholestanoic acid 122312 THCA UM_Target_ID a-Muricholic acid 53477700 aMCA UM_Target_ID b-Muricholic acid 5283853 bMCA UM_Target_ID Chenodeoxycholic acid 10133 CDCA UM_Target_ID Cholic acid 221493 CA UM_Target_ID Deoxycholic acid 6742 DCA UM_Target_ID Glychocholic acid 10140 GCA UM_Target_ID Glycochenodeoxycholic acid 9548796 GCDCA UM_Target_ID Glycodeoxycholic acid 18602029 GDCA UM_Target_ID Glycohyocholic acid 13955647 GHCA UM_Target_ID Glycohyodeoxycholic acid 114611 GHDCA UM_Target_ID Glycolithocholic acid 115245 GLCA UM_Target_ID Glycoursodeoxycholic acid 12310288 GUDCA UM_Target_ID g-Muricholic acid (hyocholic acid) 92805 HCA UM_Target_ID Hyodeoxycholic acid 16219478 HDCA UM_Target_ID Isolithocholic acid 164853 iLCA UM_Target_ID Lithocholic acid 9903 LCA UM_Target_ID Tauro-alpha-muricholic acid 168408 TaMCA UM_Target_ID Tauro-beta-muricholic acid 168408 TbMCA UM_Target_ID Taurochenodeoxycholic acid 54608447 TCDCA UM_Target_ID Taurocholic acid 6675 TCA UM_Target_ID Taurodeoxycholic acid 10594 TDCA UM_Target_ID Taurolithocolic acid 10595 TLCA UM_Target_ID Tauroursodeoxycholic acid/Tauro-hyodeoxycholic acid 9848818 THDCA/TUDCA UM_Target_ID Ursodeoxycholic acid 54285959 UDCA UM_Target_ID w-Muricholic acid 5283851 wMCA UM_Target_ID METABOLITES_END #END