#METABOLOMICS WORKBENCH araskind_20150612_9897891_mwtab.txt DATATRACK_ID:317 STUDY_ID:ST000212 ANALYSIS_ID:AN000314 PROJECT_ID:PR000178 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Bile Acid Studies in Murine Gut PR:PROJECT_SUMMARY Targeted bile acid analysis throughout the murine GI tract before and after 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 Murine gut bile acid analysis ST:STUDY_TYPE Changes to bile acids in the murine gut after antibiotics ST:STUDY_SUMMARY Changes to bile acids in the murine gut after antibiotics 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 12 ST:TOTAL_SUBJECTS 60 ST:STUDY_COMMENTS Samples were collected at the time of necropsy. Contents from the lumen of the ST:STUDY_COMMENTS tract of C57BL/6 mice were collected, flash frozen and stored in the -80C until ST:STUDY_COMMENTS for metabolomics assay. C57BL/6 mice treated with cefoperazone for 5 days with ST:STUDY_COMMENTS days of water (n=5) were harvested along with non-antibiotic treated mice ST:STUDY_COMMENTS Contents from the small intesine (duodenum, jejunum and ileum), the large ST:STUDY_COMMENTS (cecum, colon) and stool were collected for targeted bile acid analysis. #SUBJECT SU:SUBJECT_TYPE - 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 SU0002998 S00012883 GI tract location:cecum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012884 GI tract location:cecum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012885 GI tract location:cecum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012886 GI tract location:cecum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012887 GI tract location:cecum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012913 GI tract location:cecum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012914 GI tract location:cecum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012915 GI tract location:cecum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012916 GI tract location:cecum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012917 GI tract location:cecum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012888 GI tract location:colon | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012889 GI tract location:colon | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012890 GI tract location:colon | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012891 GI tract location:colon | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012892 GI tract location:colon | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012918 GI tract location:colon | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012919 GI tract location:colon | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012920 GI tract location:colon | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012921 GI tract location:colon | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012922 GI tract location:colon | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012868 GI tract location:duodenum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012869 GI tract location:duodenum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012870 GI tract location:duodenum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012871 GI tract location:duodenum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012872 GI tract location:duodenum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012898 GI tract location:duodenum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012899 GI tract location:duodenum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012900 GI tract location:duodenum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012901 GI tract location:duodenum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012902 GI tract location:duodenum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012878 GI tract location:ileum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012879 GI tract location:ileum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012880 GI tract location:ileum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012881 GI tract location:ileum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012882 GI tract location:ileum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012908 GI tract location:ileum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012909 GI tract location:ileum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012910 GI tract location:ileum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012911 GI tract location:ileum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012912 GI tract location:ileum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012873 GI tract location:jejunum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012874 GI tract location:jejunum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012875 GI tract location:jejunum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012876 GI tract location:jejunum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012877 GI tract location:jejunum | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012903 GI tract location:jejunum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012904 GI tract location:jejunum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012905 GI tract location:jejunum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012906 GI tract location:jejunum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012907 GI tract location:jejunum | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012893 GI tract location:stool | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012894 GI tract location:stool | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012895 GI tract location:stool | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012896 GI tract location:stool | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012897 GI tract location:stool | treatment:cefoperazone SUBJECT_SAMPLE_FACTORS SU0002998 S00012923 GI tract location:stool | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012924 GI tract location:stool | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012925 GI tract location:stool | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012926 GI tract location:stool | treatment:vehicle SUBJECT_SAMPLE_FACTORS SU0002998 S00012927 GI tract location:stool | treatment:vehicle #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Cecum #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Bile-acids-2015-03-11.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME - CH:COLUMN_NAME - CH:METHODS_ID AQM040 CH:METHODS_FILENAME 2014-03-27-Bile_acid-full-ESN-insert.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE 2014-03-27-Bile_acid-full-ESN-insert.m.zip AN:PROCESSING_PARAMETERS_FILE EX00256-Bile-Acids-Quant-method.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6490 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS µg/100mg sample MS_METABOLITE_DATA_START Samples S00012883 S00012884 S00012885 S00012886 S00012887 S00012913 S00012914 S00012915 S00012916 S00012917 S00012888 S00012889 S00012890 S00012891 S00012892 S00012918 S00012919 S00012920 S00012921 S00012922 S00012868 S00012869 S00012870 S00012871 S00012872 S00012898 S00012899 S00012900 S00012901 S00012902 S00012878 S00012879 S00012880 S00012881 S00012882 S00012908 S00012909 S00012910 S00012911 S00012912 S00012873 S00012874 S00012875 S00012876 S00012877 S00012903 S00012904 S00012905 S00012906 S00012907 S00012893 S00012894 S00012895 S00012896 S00012897 S00012923 S00012924 S00012925 S00012926 S00012927 Factors GI tract location:cecum | treatment:cefoperazone GI tract location:cecum | treatment:cefoperazone GI tract location:cecum | treatment:cefoperazone GI tract location:cecum | treatment:cefoperazone GI tract location:cecum | treatment:cefoperazone GI tract location:cecum | treatment:vehicle GI tract location:cecum | treatment:vehicle GI tract location:cecum | treatment:vehicle GI tract location:cecum | treatment:vehicle GI tract location:cecum | treatment:vehicle GI tract location:colon | treatment:cefoperazone GI tract location:colon | treatment:cefoperazone GI tract location:colon | treatment:cefoperazone GI tract location:colon | treatment:cefoperazone GI tract location:colon | treatment:cefoperazone GI tract location:colon | treatment:vehicle GI tract location:colon | treatment:vehicle GI tract location:colon | treatment:vehicle GI tract location:colon | treatment:vehicle GI tract location:colon | treatment:vehicle GI tract location:duodenum | treatment:cefoperazone GI tract location:duodenum | treatment:cefoperazone GI tract location:duodenum | treatment:cefoperazone GI tract location:duodenum | treatment:cefoperazone GI tract location:duodenum | treatment:cefoperazone GI tract location:duodenum | treatment:vehicle GI tract location:duodenum | treatment:vehicle GI tract location:duodenum | treatment:vehicle GI tract location:duodenum | treatment:vehicle GI tract location:duodenum | treatment:vehicle GI tract location:ileum | treatment:cefoperazone GI tract location:ileum | treatment:cefoperazone GI tract location:ileum | treatment:cefoperazone GI tract location:ileum | treatment:cefoperazone GI tract location:ileum | treatment:cefoperazone GI tract location:ileum | treatment:vehicle GI tract location:ileum | treatment:vehicle GI tract location:ileum | treatment:vehicle GI tract location:ileum | treatment:vehicle GI tract location:ileum | treatment:vehicle GI tract location:jejunum | treatment:cefoperazone GI tract location:jejunum | treatment:cefoperazone GI tract location:jejunum | treatment:cefoperazone GI tract location:jejunum | treatment:cefoperazone GI tract location:jejunum | treatment:cefoperazone GI tract location:jejunum | treatment:vehicle GI tract location:jejunum | treatment:vehicle GI tract location:jejunum | treatment:vehicle GI tract location:jejunum | treatment:vehicle GI tract location:jejunum | treatment:vehicle GI tract location:stool | treatment:cefoperazone GI tract location:stool | treatment:cefoperazone GI tract location:stool | treatment:cefoperazone GI tract location:stool | treatment:cefoperazone GI tract location:stool | treatment:cefoperazone GI tract location:stool | treatment:vehicle GI tract location:stool | treatment:vehicle GI tract location:stool | treatment:vehicle GI tract location:stool | treatment:vehicle GI tract location:stool | treatment:vehicle a-Muricholic acid 0.0549 0.0233 0.0078 0.0103 0.0000 0.0963 0.3093 0.7214 0.4799 1.0004 0.0067 0.0000 0.0000 0.0074 0.0081 0.0555 0.0809 0.6798 0.9066 1.4854 0.0609 0.0303 0.1009 0.0739 0.0988 0.4674 0.1996 1.0300 0.6212 0.1615 0.1411 0.1046 0.1139 0.0648 0.0623 8.9092 4.6093 11.3699 35.6777 11.3038 0.1109 0.0937 0.1455 0.1221 0.0633 0.1178 51.4603 10.8345 81.0565 2.2229 0.0002 0.0400 0.0231 0.0189 0.0000 3.0151 7.3959 1.3612 0.8880 0.0000 b-Muricholic acid 0.0020 0.0047 0.0022 0.0048 0.0000 1.3227 3.0202 5.2133 2.7526 3.9058 0.0034 0.0041 0.0027 0.0029 0.0029 0.8411 1.3014 4.1449 4.5059 3.9441 0.0699 0.1094 0.1109 0.1889 0.1788 5.7372 1.0956 7.4133 6.5061 1.5609 0.1120 0.0838 0.0749 0.0889 0.0474 17.3534 17.8459 25.7163 98.9442 48.2415 0.0881 0.0203 0.1735 0.1543 0.0549 0.3803 95.2664 31.4712 161.1761 14.8349 0.0031 0.0025 0.0032 0.0037 0.0052 11.2551 2.3038 4.6811 5.2437 0.0006 Chenodeoxycholic acid 0.0118 0.0060 0.0114 0.0071 0.0127 0.0000 0.0000 0.0000 0.0000 0.0000 0.0044 0.0026 0.0061 0.0060 0.0104 0.0000 0.0000 0.0000 0.0000 0.0000 0.0935 0.0072 0.0778 0.0197 0.0308 0.2051 0.0487 0.2456 0.1855 0.0000 0.0453 0.0306 0.1146 0.0147 0.0476 0.9334 0.4063 0.4103 0.8363 0.4252 0.0391 0.0160 0.1026 0.0167 0.0132 0.0176 1.5427 0.5148 1.8323 0.2395 0.0017 0.0110 0.0246 0.0202 0.0038 0.0000 0.0000 0.0000 0.0000 0.0000 Cholic acid 0.4245 0.4742 0.7231 0.7739 0.5283 0.3226 0.4391 0.4412 0.3471 0.6812 0.3770 0.4019 0.2663 0.2564 0.5473 0.5203 0.6499 1.1807 1.5472 1.1893 2.5203 2.4768 3.4631 2.7439 2.7562 6.8744 6.7681 12.6843 9.5513 4.2449 9.8613 7.5620 4.9291 2.7866 2.7344 14.5146 26.9085 35.6867 110.6236 56.1867 6.4854 3.1517 5.9257 2.9910 1.4391 1.6657 103.5307 44.2505 182.7957 21.5321 0.0966 0.1819 0.7317 0.9866 0.2351 2.6591 0.3935 2.3137 0.9824 0.0000 Deoxycholic acid 0.0000 0.0000 0.0000 0.0000 0.0000 1.0659 2.9114 4.4611 4.4471 6.7041 0.0000 0.0000 0.0000 0.0000 0.0000 1.2798 1.8665 4.9749 6.9055 8.7122 0.0000 0.0000 0.0000 0.0000 0.0000 0.2271 0.0000 0.8821 0.6942 0.1155 0.0000 0.0000 0.0000 0.0000 0.0000 0.8422 0.6958 0.8409 1.3385 1.2053 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.4111 1.4620 2.0695 0.9157 0.0000 0.0000 0.0000 0.0000 0.0000 12.9803 4.4771 7.5369 8.8131 0.0000 Glychocholic acid 0.0089 0.0123 0.0154 0.0128 0.0114 0.0101 0.0195 0.0122 0.0082 0.0112 0.0104 0.0211 0.0187 0.0117 0.0093 0.0139 0.0116 0.0154 0.0118 0.0085 0.1333 0.0817 0.4561 0.6498 0.1433 0.8134 1.5819 3.6143 0.6441 1.4235 0.0930 0.0916 0.3895 0.4098 0.1261 0.8637 4.9443 2.4933 2.4343 1.2718 0.2349 0.1214 0.6756 0.9033 0.1072 0.1649 1.8702 5.1848 1.9965 1.5318 0.0097 0.0085 0.0104 0.0126 0.0283 0.0212 0.0135 0.0172 0.0190 0.0839 Glycochenodeoxycholic acid 0.0119 0.0180 0.0211 0.0132 0.0138 0.0135 0.0253 0.0161 0.0099 0.0154 0.0138 0.0268 0.0243 0.0173 0.0126 0.0201 0.0155 0.0208 0.0148 0.0096 0.0291 0.0309 0.0390 0.0496 0.0493 0.0591 0.0480 0.0594 0.0299 0.0491 0.0185 0.0221 0.0331 0.0406 0.0390 0.0291 0.0537 0.0387 0.0475 0.0248 0.0394 0.0320 0.0585 0.0633 0.0380 0.0403 0.0228 0.0687 0.0336 0.0463 0.0124 0.0123 0.0126 0.0169 0.0367 0.0286 0.0172 0.0202 0.0248 0.1203 Glycodeoxycholic acid 0.0041 0.0060 0.0070 0.0046 0.0051 0.0049 0.0098 0.0064 0.0052 0.0075 0.0047 0.0105 0.0086 0.0058 0.0043 0.0072 0.0056 0.0090 0.0071 0.0062 0.0047 0.0053 0.0039 0.0070 0.0058 0.0183 0.0198 0.0659 0.0132 0.0185 0.0044 0.0034 0.0025 0.0046 0.0029 0.0132 0.0284 0.0365 0.0267 0.0153 0.0048 0.0028 0.0054 0.0064 0.0030 0.0139 0.0171 0.0861 0.0289 0.0204 0.0043 0.0042 0.0042 0.0057 0.0128 0.0117 0.0067 0.0114 0.0103 0.0412 GLYCO-HYODEOXYCHOLIC ACID/GLYCOURSODEOXYCHOLIC ACID 0.0227 0.0331 0.0384 0.0264 0.0269 0.0259 0.0482 0.0307 0.0186 0.0301 0.0258 0.0526 0.0466 0.0322 0.0246 0.0378 0.0288 0.0390 0.0282 0.0184 0.1081 0.0899 0.1695 0.2313 0.2211 0.1858 0.1074 0.1108 0.0729 0.1029 0.0762 0.0843 0.1712 0.1951 0.2008 0.0417 0.1246 0.0819 0.0512 0.0531 0.1595 0.1134 0.2741 0.3093 0.1617 0.0908 0.0547 0.1222 0.0526 0.0509 0.0237 0.0231 0.0236 0.0316 0.0719 0.0540 0.0329 0.0402 0.0467 0.2238 Glycolithocholic acid 0.0603 0.0485 0.0969 0.0371 0.0381 0.0380 0.1648 0.1735 0.0881 0.1017 0.0374 0.0748 0.1702 0.0917 0.0556 0.1003 0.1120 0.0945 0.3108 0.2583 0.1161 0.1524 0.1037 0.0780 0.0555 0.1814 0.1011 0.1139 0.2625 0.0671 0.0000 0.0489 0.0199 0.0371 0.1265 0.0991 0.3002 0.0656 0.1404 0.1329 0.0661 0.1061 0.1613 0.1701 0.0583 0.1031 0.0214 0.1465 0.0928 0.0315 0.0541 0.0338 0.0340 0.1235 0.1031 0.2405 0.0483 0.1833 0.6079 0.0000 g-Muricholic acid (hyocholic acid) 0.0021 0.0030 0.0035 0.0023 0.0024 0.0088 0.0211 0.0234 0.0807 0.1014 0.0023 0.0047 0.0043 0.0029 0.0022 0.0100 0.0160 0.0328 0.2033 0.1514 0.0024 0.0027 0.0020 0.0035 0.0029 0.0056 0.0208 0.0854 0.1132 0.0042 0.0506 0.0017 0.0012 0.0023 0.0014 0.5065 0.4089 0.8444 4.7566 1.5177 0.0024 0.0014 0.0027 0.0032 0.0015 0.0065 4.8814 0.7000 8.9545 0.3049 0.0022 0.0021 0.0021 0.0029 0.0065 0.2753 0.0154 0.0698 0.1701 0.0227 Hyodeoxycholic acid 0.0000 0.0000 0.0000 0.0000 0.0000 0.7154 1.7264 4.0404 4.1259 4.6714 0.0000 0.0000 0.0000 0.0000 0.0028 0.3645 0.4947 2.0873 5.0877 5.6220 0.0000 0.0069 0.0552 0.0017 0.0541 0.8602 0.1208 0.7472 0.6502 0.0728 0.0473 0.0395 0.0489 0.0088 0.0108 2.4533 1.1895 0.9187 2.8261 1.3286 0.0370 0.0145 0.0412 0.0374 0.0000 0.0461 3.0429 1.3038 4.6468 0.6615 0.0000 0.0000 0.0066 0.0022 0.0000 7.7147 4.2917 2.6495 6.1513 0.0000 Lithocholic acid 0.0050 0.0077 0.0086 0.0086 0.0090 0.1811 0.3205 0.6400 0.4875 0.5733 0.0090 0.0209 0.0128 0.0067 0.0051 0.1983 0.1190 0.4392 0.8635 0.6353 0.0084 0.0103 0.0100 0.0103 0.0098 0.0260 0.0200 0.0212 0.0227 0.0173 0.0051 0.0055 0.0039 0.0078 0.0067 0.0072 0.0128 0.0130 0.0084 0.0566 0.0078 0.0058 0.0077 0.0093 0.0056 0.0169 0.0162 0.0130 0.0118 0.0068 0.0076 0.0061 0.0057 0.0068 0.0195 1.7139 1.0194 0.5236 1.2142 0.0447 Taurochenodeoxycholic acid 0.1139 0.1285 0.2849 0.3490 0.3068 0.0369 0.0498 0.0283 0.0204 0.0304 0.1296 0.1384 0.1687 0.1694 0.3640 0.0566 0.0344 0.0455 0.0365 0.0145 7.7004 8.4993 10.6899 17.5936 14.9907 11.9761 4.3964 6.7594 4.8988 9.5275 6.0656 8.0085 9.9823 11.7896 10.5786 6.4265 8.2293 4.4418 6.6253 4.6608 11.9624 7.9484 17.6863 18.8427 9.6253 2.9561 3.1211 7.9892 5.6483 7.5646 0.1035 0.1006 0.3603 0.3194 0.1353 0.0430 0.0291 0.0455 0.0481 0.1822 Taurocholic acid 1.9167 1.6754 2.4661 4.3634 3.7139 0.3227 0.1511 0.0414 0.0591 0.1206 2.3283 1.6678 2.2345 1.4427 2.6688 0.2151 0.0333 0.0445 0.2518 0.1696 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18.7189 0.0000 0.0000 0.0000 0.0000 1.7997 1.1192 2.7794 2.2032 1.4419 0.3148 0.0287 0.1199 0.1438 0.0000 Taurodeoxycholic acid 0.0236 0.0346 0.0401 0.0265 0.0272 0.0827 0.1087 0.2919 0.1969 0.2708 0.0267 0.0534 0.0488 0.0334 0.0246 0.0893 0.0498 0.2601 0.5757 0.7424 0.0268 0.0304 0.0224 0.0403 0.0331 10.3432 4.5789 10.9281 7.4269 15.6049 0.0250 0.0194 0.0142 0.0265 0.0164 0.0127 8.8175 6.8989 8.6356 8.6297 0.0275 0.0163 0.0312 0.0364 0.0172 2.6554 4.6873 13.6626 9.4836 12.8348 0.0245 0.0241 0.0243 0.0326 0.0736 1.7112 0.1755 0.5692 0.4948 0.2378 Taurolithocolic acid 0.0185 0.0287 0.0315 0.0238 0.0235 0.0290 0.0437 0.0386 0.0234 0.0341 0.0226 0.0430 0.0394 0.0281 0.0214 0.0363 0.0259 0.0413 0.0446 0.0267 0.0427 0.0431 0.0654 0.0659 0.0753 0.2006 0.0889 0.1905 0.1477 0.3227 0.0353 0.0287 0.0425 0.0509 0.0504 0.4111 0.1339 0.1104 0.2316 0.1205 0.0498 0.0340 0.0833 0.0849 0.0426 0.0770 0.1073 0.1744 0.3271 0.1441 0.0197 0.0200 0.0238 0.0279 0.0597 0.0999 0.0365 0.0419 0.0620 0.1863 Tauroursodeoxycholic acid/Tauro-hyodeoxycholic acid 0.1323 0.1481 0.3113 0.6212 0.4081 0.0446 0.0105 0.0549 0.0753 0.0518 0.1774 0.1797 0.2745 0.2364 0.4301 0.0291 0.0000 0.0000 0.1584 0.1210 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.1780 0.1537 0.3759 0.4088 0.1940 0.1765 0.0092 0.0417 0.1566 0.0000 w-Muricholic acid 0.0000 0.0000 0.0000 0.0000 0.0000 3.4662 5.1926 5.9246 4.6699 5.6634 0.0000 0.0000 0.0000 0.0000 0.0000 2.8015 2.6406 5.6582 6.6434 4.8514 0.0278 0.0138 0.0697 0.0161 0.0218 1.9408 0.6171 2.1897 2.9070 0.9581 0.3733 0.2962 0.2232 0.0333 0.0426 6.7358 10.2888 14.5439 42.1482 30.3724 0.1308 0.0282 0.1074 0.0318 0.0044 0.0678 65.2107 16.3438 91.3027 2.8609 0.0000 0.0000 0.0000 0.0000 0.0000 11.8524 7.0304 6.2934 8.2650 0.0000 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 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 GLYCO-HYODEOXYCHOLIC ACID/GLYCOURSODEOXYCHOLIC ACID 12310288 GHDCA/GUDCA UM_Target_ID Glycolithocholic acid 115245 GLCA UM_Target_ID g-Muricholic acid (hyocholic acid) 92805 HCA UM_Target_ID Hyodeoxycholic acid 16219478 HDCA UM_Target_ID Lithocholic acid 9903 LCA 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 w-Muricholic acid 5283851 wMCA UM_Target_ID METABOLITES_END #END