#METABOLOMICS WORKBENCH araskind_20150609_9681881_mwtab.txt DATATRACK_ID:296 STUDY_ID:ST000195 ANALYSIS_ID:AN000297 PROJECT_ID:PR000166 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE ASCL5 Bile Acids Analysis PR:PROJECT_SUMMARY Analysis of Bile Acids in Intestinal Segments of Chow Fed Male ACSL5 Knockout PR:INSTITUTE Tufts University PR:DEPARTMENT Endocrinology, Diabetes, and Metabolism PR:LABORATORY Greenberg Lab PR:LAST_NAME Greenberg PR:FIRST_NAME Andrew PR:ADDRESS Medford, MA PR:EMAIL andrew.greenberg@tufts.edu PR:PHONE 617-556-3144 #STUDY ST:STUDY_TITLE ACSL5 Whole Body Bile Acids ST:STUDY_TYPE Understand the differences in Bile Acid composition between knockout and floxed ST:STUDY_TYPE at each intestinal segment. Also difference in metabolites between these two ST:STUDY_TYPE at each level of the intestine. ST:STUDY_SUMMARY Understand the differences in Bile Acid composition between knockout and floxed ST:STUDY_SUMMARY at each intestinal segment. Also difference in metabolites between these two ST:STUDY_SUMMARY at each level of the intestine. 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 7 ST:TOTAL_SUBJECTS 52 #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 SU0004323 S00015200 Genotype:FLOX | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004323 S00015209 Genotype:FLOX | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004323 S00015215 Genotype:FLOX | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004323 S00015218 Genotype:FLOX | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004323 S00015224 Genotype:FLOX | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004323 S00015233 Genotype:FLOX | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004323 S00015236 Genotype:FLOX | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004323 S00015239 Genotype:FLOX | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004325 S00015202 Genotype:FLOX | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004325 S00015211 Genotype:FLOX | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004325 S00015217 Genotype:FLOX | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004325 S00015220 Genotype:FLOX | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004325 S00015226 Genotype:FLOX | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004325 S00015235 Genotype:FLOX | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004325 S00015238 Genotype:FLOX | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004325 S00015241 Genotype:FLOX | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004324 S00015201 Genotype:FLOX | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004324 S00015210 Genotype:FLOX | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004324 S00015216 Genotype:FLOX | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004324 S00015219 Genotype:FLOX | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004324 S00015225 Genotype:FLOX | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004324 S00015234 Genotype:FLOX | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004324 S00015237 Genotype:FLOX | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004324 S00015240 Genotype:FLOX | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004320 S00015194 Genotype:Knockout | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004320 S00015197 Genotype:Knockout | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004320 S00015203 Genotype:Knockout | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004320 S00015206 Genotype:Knockout | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004320 S00015212 Genotype:Knockout | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004320 S00015221 Genotype:Knockout | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004320 S00015227 Genotype:Knockout | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004320 S00015230 Genotype:Knockout | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004320 S00015242 Genotype:Knockout | Intestinal Segment:Duodenum SUBJECT_SAMPLE_FACTORS SU0004322 S00015196 Genotype:Knockout | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004322 S00015199 Genotype:Knockout | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004322 S00015205 Genotype:Knockout | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004322 S00015208 Genotype:Knockout | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004322 S00015214 Genotype:Knockout | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004322 S00015223 Genotype:Knockout | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004322 S00015229 Genotype:Knockout | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004322 S00015232 Genotype:Knockout | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004322 S00015244 Genotype:Knockout | Intestinal Segment:Illeum SUBJECT_SAMPLE_FACTORS SU0004321 S00015195 Genotype:Knockout | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004321 S00015198 Genotype:Knockout | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004321 S00015204 Genotype:Knockout | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004321 S00015207 Genotype:Knockout | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004321 S00015213 Genotype:Knockout | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004321 S00015222 Genotype:Knockout | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004321 S00015228 Genotype:Knockout | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004321 S00015231 Genotype:Knockout | Intestinal Segment:Jejunum SUBJECT_SAMPLE_FACTORS SU0004321 S00015243 Genotype:Knockout | Intestinal Segment:Jejunum #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Flushing #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 - CH:COLUMN_NAME Waters Acquity BEH C18 (50 x 2.1mm, 1.7um) CH:METHODS_ID AQM041 CH:METHODS_FILENAME 2014-07-30-Bile_acid-full-BEH-C18-h.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE 2014-07-30-Bile_acid-full-BEH-C18-h.m.zip AN:PROCESSING_PARAMETERS_FILE EX00322-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 µM MS_METABOLITE_DATA_START Samples S00015200 S00015209 S00015215 S00015218 S00015224 S00015233 S00015236 S00015239 S00015202 S00015211 S00015217 S00015220 S00015226 S00015235 S00015238 S00015241 S00015201 S00015210 S00015216 S00015219 S00015225 S00015234 S00015237 S00015240 S00015194 S00015197 S00015203 S00015206 S00015212 S00015221 S00015227 S00015230 S00015242 S00015196 S00015199 S00015205 S00015208 S00015214 S00015223 S00015229 S00015232 S00015244 S00015195 S00015198 S00015204 S00015207 S00015213 S00015222 S00015228 S00015231 S00015243 Factors Genotype:FLOX | Intestinal Segment:Duodenum Genotype:FLOX | Intestinal Segment:Duodenum Genotype:FLOX | Intestinal Segment:Duodenum Genotype:FLOX | Intestinal Segment:Duodenum Genotype:FLOX | Intestinal Segment:Duodenum Genotype:FLOX | Intestinal Segment:Duodenum Genotype:FLOX | Intestinal Segment:Duodenum Genotype:FLOX | Intestinal Segment:Duodenum Genotype:FLOX | Intestinal Segment:Illeum Genotype:FLOX | Intestinal Segment:Illeum Genotype:FLOX | Intestinal Segment:Illeum Genotype:FLOX | Intestinal Segment:Illeum Genotype:FLOX | Intestinal Segment:Illeum Genotype:FLOX | Intestinal Segment:Illeum Genotype:FLOX | Intestinal Segment:Illeum Genotype:FLOX | Intestinal Segment:Illeum Genotype:FLOX | Intestinal Segment:Jejunum Genotype:FLOX | Intestinal Segment:Jejunum Genotype:FLOX | Intestinal Segment:Jejunum Genotype:FLOX | Intestinal Segment:Jejunum Genotype:FLOX | Intestinal Segment:Jejunum Genotype:FLOX | Intestinal Segment:Jejunum Genotype:FLOX | Intestinal Segment:Jejunum Genotype:FLOX | Intestinal Segment:Jejunum Genotype:Knockout | Intestinal Segment:Duodenum Genotype:Knockout | Intestinal Segment:Duodenum Genotype:Knockout | Intestinal Segment:Duodenum Genotype:Knockout | Intestinal Segment:Duodenum Genotype:Knockout | Intestinal Segment:Duodenum Genotype:Knockout | Intestinal Segment:Duodenum Genotype:Knockout | Intestinal Segment:Duodenum Genotype:Knockout | Intestinal Segment:Duodenum Genotype:Knockout | Intestinal Segment:Duodenum Genotype:Knockout | Intestinal Segment:Illeum Genotype:Knockout | Intestinal Segment:Illeum Genotype:Knockout | Intestinal Segment:Illeum Genotype:Knockout | Intestinal Segment:Illeum Genotype:Knockout | Intestinal Segment:Illeum Genotype:Knockout | Intestinal Segment:Illeum Genotype:Knockout | Intestinal Segment:Illeum Genotype:Knockout | Intestinal Segment:Illeum Genotype:Knockout | Intestinal Segment:Illeum Genotype:Knockout | Intestinal Segment:Jejunum Genotype:Knockout | Intestinal Segment:Jejunum Genotype:Knockout | Intestinal Segment:Jejunum Genotype:Knockout | Intestinal Segment:Jejunum Genotype:Knockout | Intestinal Segment:Jejunum Genotype:Knockout | Intestinal Segment:Jejunum Genotype:Knockout | Intestinal Segment:Jejunum Genotype:Knockout | Intestinal Segment:Jejunum Genotype:Knockout | Intestinal Segment:Jejunum 3a_7a_12a-trihydroxycholestanoic acid 2.3174 0.0612 0.0388 0.1978 10.7481 0.6203 0.5899 3.0297 0.0155 1.6035 0.0020 1.7829 2.2582 0.5866 0.0135 0.0543 3.0531 5.0684 2.3766 0.5901 3.5781 0.4765 0.0000 2.0536 1.9197 1.6230 0.9199 0.0000 0.0000 3.2875 0.3094 0.6564 0.0604 0.8848 5.2267 1.2804 0.1065 0.0000 0.0000 0.0387 0.0000 5.3738 0.0000 14.5239 0.1555 0.0000 0.0831 3.4931 0.0000 2.5940 0.0223 a-Muricholic acid 2.0664 0.0977 0.0196 6.3867 4.8118 1.2941 2.9597 3.2506 0.0496 9.8206 0.0050 14.6753 8.3781 7.4685 0.0598 0.5674 5.6850 4.3341 6.1324 6.1104 9.2041 12.8177 2.5753 3.3323 0.7993 0.9370 0.9202 0.0190 1.8346 2.1621 0.1585 0.2564 2.9553 1.3296 9.3004 5.2502 1.7497 2.8096 0.8327 3.1205 0.3748 14.0893 0.0119 10.8567 0.0289 9.1706 3.7346 7.0077 3.4671 9.3158 2.4120 b-Muricholic acid 18.8766 0.4961 0.2199 91.5925 119.1985 20.0930 37.3278 50.7077 0.3470 149.5015 0.0919 432.0082 85.9873 81.4420 0.2753 5.3864 63.7110 34.1057 267.6919 109.2263 168.9052 277.7720 11.7740 68.2866 10.1676 12.9621 15.4474 1.2314 26.8102 64.8596 4.2455 9.7774 30.4050 12.5267 194.5796 49.2603 17.4459 31.1769 9.5093 18.2219 4.4573 664.4989 0.3814 242.2974 0.4681 105.7443 50.7113 128.3958 29.5237 155.0101 16.3569 Chenodeoxycholic acid 0.6284 0.1674 0.0000 9.3933 11.0033 4.2342 1.6701 5.0570 0.0000 10.1714 0.0000 16.7297 1.7570 5.3067 0.0000 0.4513 1.3981 13.0511 11.1558 7.7967 9.1741 12.5925 0.0000 4.4666 0.1783 2.8555 0.3586 0.0000 0.5727 2.2414 0.0000 0.0000 4.1751 0.1028 5.3436 0.2957 0.0183 0.0000 0.0000 0.0000 0.0000 18.2435 0.0000 15.1185 0.0000 0.8601 0.2524 2.1912 0.2418 1.7476 1.4880 Cholic acid 26.3831 4.4717 0.9858 103.4476 107.4458 27.7588 41.2221 54.8004 0.1866 212.8737 0.0000 523.1755 81.0905 106.0941 1.4346 8.9694 68.6333 113.1704 275.8770 124.4639 168.8645 346.2511 13.7646 82.4185 9.6620 29.3742 17.8550 4.4726 23.5602 53.2955 5.3851 9.2594 42.9672 13.2422 268.0682 39.7019 9.8358 26.3986 7.4414 12.2384 3.2120 797.1083 0.2722 407.7830 0.9542 65.1743 45.1083 103.9832 21.6189 126.2462 24.9799 Deoxycholic acid 0.6282 0.1671 0.0000 9.3935 11.0036 4.2341 1.6699 5.0569 0.0000 10.1716 0.0000 16.7302 1.7568 5.3067 0.0000 0.4510 1.3978 13.0514 11.1560 7.7968 9.1743 12.5928 0.0000 4.4665 0.1780 2.8554 0.3583 0.0000 0.5724 2.2412 0.0000 0.0000 4.1750 0.1025 5.3435 0.2954 0.0179 0.0000 0.0000 0.0000 0.0000 18.2441 0.0000 15.1189 0.0000 0.8598 0.2521 2.1910 0.2415 1.7473 1.4878 Glychocholic acid 0.1539 0.0117 0.0035 0.5605 1.0590 0.0564 0.0292 0.6992 0.0004 0.3173 0.0000 3.3818 0.1088 0.2075 0.0019 0.0226 0.2690 0.6149 0.4431 0.9858 0.4288 0.1025 0.0019 0.9402 0.2071 0.2597 0.1398 0.0084 0.0371 0.2051 0.0140 0.0499 0.0724 0.0433 0.9311 0.1496 0.0097 0.0338 0.0090 0.0096 0.0028 1.4683 0.0006 2.6963 0.0078 0.0167 0.0474 0.2123 0.0400 0.1910 0.0284 Glycochenodeoxycholic acid 0.0063 0.0046 0.0053 0.0062 0.0161 0.0050 0.0048 0.0135 0.0051 0.0080 0.0054 0.0184 0.0040 0.0055 0.0041 0.0051 0.0071 0.0167 0.0041 0.0108 0.0073 0.0049 0.0050 0.0147 0.0062 0.0069 0.0074 0.0050 0.0051 0.0058 0.0048 0.0057 0.0047 0.0039 0.0082 0.0066 0.0037 0.0048 0.0036 0.0042 0.0038 0.0132 0.0045 0.0208 0.0038 0.0047 0.0044 0.0046 0.0049 0.0057 0.0041 Glycodeoxycholic acid 0.0012 0.0001 0.0000 0.0081 0.0083 0.0003 0.0010 0.0102 0.0002 0.0083 0.0001 0.0807 0.0006 0.0020 0.0001 0.0006 0.0010 0.0313 0.0039 0.0206 0.0008 0.0036 0.0000 0.0144 0.0002 0.0068 0.0003 0.0000 0.0001 0.0007 0.0001 0.0003 0.0013 0.0001 0.0132 0.0002 0.0000 0.0000 0.0001 0.0001 0.0000 0.0384 0.0000 0.0814 0.0001 0.0001 0.0002 0.0001 0.0000 0.0011 0.0004 Glycohyocholic acid 0.0115 0.0000 0.0000 0.0009 0.0333 0.0032 0.0000 0.0000 0.0000 0.0079 0.0000 0.0055 0.0132 0.0092 0.0000 0.0000 0.0185 0.0221 0.0082 0.0000 0.0308 0.0014 0.0000 0.0107 0.0192 0.0000 0.0040 0.0019 0.0000 0.0033 0.0000 0.0024 0.0000 0.0000 0.0154 0.0000 0.0000 0.0000 0.0000 0.0000 0.0013 0.0657 0.0000 0.0849 0.0025 0.0000 0.0000 0.0192 0.0000 0.0507 0.0027 Glycohyodeoxycholic acid 0.0015 0.0002 0.0000 0.0039 0.0062 0.0003 0.0006 0.0041 0.0002 0.0050 0.0003 0.0248 0.0011 0.0012 0.0002 0.0006 0.0020 0.0101 0.0020 0.0075 0.0021 0.0012 0.0000 0.0046 0.0005 0.0018 0.0004 0.0000 0.0005 0.0007 0.0002 0.0001 0.0006 0.0000 0.0046 0.0004 0.0001 0.0011 0.0001 0.0001 0.0000 0.0139 0.0000 0.0141 0.0000 0.0002 0.0005 0.0000 0.0000 0.0010 0.0002 Glycolithocholic acid 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 0.0000 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 Glycoursodeoxycholic acid 0.0018 0.0001 0.0001 0.0026 0.0074 0.0002 0.0007 0.0087 0.0001 0.0040 0.0001 0.0240 0.0000 0.0003 0.0000 0.0001 0.0035 0.0076 0.0027 0.0074 0.0008 0.0012 0.0000 0.0105 0.0034 0.0036 0.0023 0.0001 0.0003 0.0039 0.0002 0.0012 0.0003 0.0006 0.0102 0.0005 0.0021 0.0003 0.0002 0.0002 0.0002 0.0109 0.0002 0.0322 0.0001 0.0002 0.0002 0.0034 0.0005 0.0028 0.0002 g-Muricholic acid (hyocholic acid) 0.1242 0.0042 0.0012 0.8581 1.8027 0.0891 0.2666 0.4063 0.0017 4.0573 0.0007 4.7134 3.1636 1.0400 0.0010 0.0347 0.8064 0.4851 4.0995 0.7880 3.2490 9.3893 0.0481 0.5344 0.0366 0.0991 0.0468 0.0038 0.1408 0.6078 0.0083 0.0407 0.2660 0.0667 8.1790 0.4876 0.2067 0.3152 0.0812 0.1746 0.0536 22.4618 0.0007 7.4014 0.0010 1.3230 0.3083 3.0209 0.1798 6.2448 0.1140 Hyodeoxycholic acid 0.1010 0.0330 0.0035 1.8227 1.8883 0.6784 0.0963 0.4756 0.0026 6.2540 0.0015 7.2578 1.1402 2.5530 0.0074 0.0921 0.4954 2.8150 2.0332 2.2171 2.6364 6.0703 0.0157 0.4012 0.0235 0.1483 0.0048 0.0084 1.3026 0.2738 0.0097 0.0094 0.8189 0.0291 1.6420 0.0547 0.0827 0.9246 0.0379 0.0326 0.0069 4.3376 0.0029 2.0943 0.0010 0.7643 1.6606 0.7372 0.0746 0.3831 0.3151 Isolithocholic acid 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2334 0.0000 0.0000 0.0000 0.0000 0.0217 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 0.0000 0.0000 0.0000 0.0000 Lithocholic acid 0.1025 0.0000 0.0000 0.0519 0.0604 0.0185 0.0188 0.0244 0.0028 0.0982 0.0124 0.1267 0.0000 0.0418 0.0000 0.0057 0.0115 0.0986 0.0583 0.0287 0.0612 0.0478 0.0055 0.0256 0.0000 0.0000 0.0043 0.0000 0.0000 0.0172 0.0037 0.0025 0.0262 0.0047 0.0155 0.5373 0.0127 0.0205 0.0050 0.0172 0.0174 0.1492 0.0000 0.0000 0.0000 0.0000 0.0065 0.0192 0.0029 0.0122 0.0031 Tauro-alpha-muricholic acid 182.7412 31.2015 7.7139 260.4351 826.7803 114.0855 68.9627 489.4664 0.1849 383.7088 0.3853 687.6796 434.1754 236.0250 1.9973 19.9845 228.5984 528.4691 716.3359 283.7841 555.9308 246.3618 1.7695 431.4165 258.6790 228.9640 150.4010 38.4597 5.5365 336.4938 34.8736 79.3891 76.3473 149.5319 618.2590 223.6921 1.0406 1.1014 3.3138 0.4314 0.1920 696.3098 1.7167 826.5460 11.1741 93.7258 5.4922 466.6174 23.0450 390.1191 14.0871 TAURO-BETA-MURICHOLIC ACID 821.9420 65.7850 24.2497 341.3586 1677.3890 178.4781 306.6801 1389.4320 0.5207 642.7341 2.1210 1731.8770 240.1933 173.6226 2.9112 17.6827 1091.4400 1190.8270 1258.6420 685.6458 578.7899 152.3780 3.0232 1301.1430 1337.2960 474.0340 814.1309 242.9250 73.7505 1124.1430 270.5725 358.0648 134.4876 488.8699 1067.1070 601.5273 6.8759 14.7391 10.4764 3.6473 1.2635 1239.9870 10.4603 1941.4970 85.7077 670.6898 105.2372 1056.7250 240.3247 1231.1020 19.3478 Taurochenodeoxycholic acid 1.5402 0.3149 0.0095 0.7865 35.3602 0.7663 0.0050 14.6097 0.0016 0.6100 0.0010 7.7964 0.0313 0.0386 0.0020 0.0093 1.0112 27.1971 2.5621 1.0327 0.9556 0.1945 0.0003 26.0911 4.0656 1.1996 2.7878 0.0591 0.0029 1.6570 0.0678 0.0814 0.0360 0.2725 1.6025 0.1857 0.0021 0.0014 0.0018 0.0012 0.0004 9.3953 0.0169 29.9977 0.0555 0.0046 0.0019 0.0395 0.0032 0.0000 0.0023 Taurocholic acid 22.6146 7.4000 1.3052 15.7612 0.0000 19.8852 4.1991 0.0000 0.0344 9.2728 0.0204 35.7448 3.8090 11.2835 0.2118 0.6635 8.0666 0.0000 0.0000 17.5560 38.8866 4.6643 0.0390 0.0000 50.2423 31.6951 28.6820 1.9271 0.1911 30.8265 3.5238 5.9771 2.4889 4.1968 14.7057 9.6556 0.0446 0.1306 0.0516 0.0457 0.0163 38.9217 0.2677 0.0000 2.4847 0.4419 0.1631 9.7785 0.7051 2.6921 0.1103 Taurodeoxycholic acid 0.7115 0.7466 0.1356 1.6409 15.3622 0.7335 0.1233 29.1953 0.1151 0.8239 0.1141 16.2790 0.1321 0.2205 0.1144 0.1258 0.3256 49.9914 3.3268 2.6654 0.2882 0.6413 0.1130 52.3417 0.7986 3.3908 0.6389 0.1204 0.1158 1.1985 0.1260 0.1600 0.1670 0.1610 2.7002 0.1416 0.1157 0.1147 0.1141 0.1142 0.1130 19.9351 0.1186 77.4249 0.1256 0.1166 0.1139 0.1601 0.1154 0.1473 0.1163 TAUROHYODEOXYCHOLIC ACID 1.1036 0.2999 0.0176 1.1689 3.0560 0.4558 0.0752 3.7650 0.0013 1.7174 0.0016 5.5981 0.0729 0.1604 0.0032 0.0170 1.6038 5.9806 1.0990 2.3044 0.3609 0.0738 0.0008 3.4736 2.4027 1.6638 1.1708 0.1013 0.0623 1.5371 0.1015 0.2295 0.1404 0.3615 2.6945 0.1553 0.0026 0.0039 0.0030 0.0009 0.0006 1.5997 0.0147 6.4140 0.0409 0.0423 0.0100 0.6793 0.0208 0.5295 0.0078 Taurolithocolic acid 0.0069 0.0033 0.0002 0.0034 0.0373 0.0008 0.0155 0.0467 0.0035 0.0098 0.0049 0.0361 0.0007 0.0005 0.0004 0.0016 0.0020 0.1070 0.0057 0.0043 0.0046 0.0030 0.0001 0.0588 0.0112 0.0055 0.0016 0.0004 0.0007 0.0050 0.0008 0.0005 0.0004 0.0008 0.0087 0.0008 0.0011 0.0009 0.0012 0.0027 0.0005 0.0291 0.0004 0.1131 0.0005 0.0007 0.0003 0.0006 0.0004 0.0125 0.0019 Ursodeoxycholic acid 0.1218 0.0171 0.0138 2.1328 8.7080 1.6837 1.4638 2.5158 0.0060 3.3474 0.0055 3.0058 0.6509 0.8349 0.0100 0.1734 0.6157 0.4965 3.9195 0.8313 4.9056 3.8692 0.1766 2.0508 0.2874 0.2381 0.4130 0.0330 0.4917 1.3433 0.1347 0.0747 1.4432 0.1092 3.0603 0.5854 0.4222 0.2370 0.1163 0.2514 0.0762 4.8737 0.0047 3.5343 0.0090 4.0809 0.5682 2.8790 0.7821 3.9658 0.3892 w-Muricholic acid 1.2722 0.0626 0.0449 3.5083 4.9980 0.9468 1.7832 1.9665 0.1006 8.8678 0.0159 12.3458 11.6218 6.1889 0.0661 2.1661 3.5785 2.2289 6.7250 3.2639 9.1859 11.2375 2.0951 1.9494 0.6694 0.6615 0.3530 0.1001 1.1716 2.7637 0.3852 0.4181 4.4049 0.7270 8.9755 3.3198 5.8435 2.7724 2.5139 4.0834 1.5272 13.6561 0.0107 9.4745 0.0149 12.2451 2.5942 7.9159 3.3465 10.4976 4.0436 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 T-bMCA UM_Target_ID Taurochenodeoxycholic acid 54608447 TCDCA UM_Target_ID Taurocholic acid 6675 TCA UM_Target_ID Taurodeoxycholic acid 10594 TDCA UM_Target_ID TAUROHYODEOXYCHOLIC ACID 9848818 THDCA UM_Target_ID Taurolithocolic acid 10595 TLCA UM_Target_ID Ursodeoxycholic acid 54285959 UDCA UM_Target_ID w-Muricholic acid 5283851 wMCA UM_Target_ID METABOLITES_END #END