#METABOLOMICS WORKBENCH ebrown427_20150601_9361521_mwtab.txt DATATRACK_ID:266 STUDY_ID:ST000232 ANALYSIS_ID:AN000347 PROJECT_ID:PR000182 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Metabolomic analysis of the small intestinal content of malnourished mice PR:PROJECT_SUMMARY - PR:INSTITUTE University of British Columbia PR:DEPARTMENT Microbiology and Immunology PR:LABORATORY Dr. B. Brett Finlay PR:LAST_NAME Finlay PR:FIRST_NAME Brett PR:ADDRESS 2185 East Mall, Vancouver, BC, Canada V6T 1Z4 PR:EMAIL bfinlay@msl.ubc.ca PR:PHONE - PR:FUNDING_SOURCE Canadian Institutes for Health Research #STUDY ST:STUDY_TITLE Untargeted metabolomic analysis of the small intestinal content of malnourished ST:STUDY_TYPE Metabolomics ST:STUDY_SUMMARY A total of 8 samples from 6 week old, female C57BL/6 mice, treated for 3 weeks ST:STUDY_SUMMARY a malnourished diet or a control-fed isocaloric diet. Samples were taken from ST:STUDY_SUMMARY small intestinal fecal content at the terminus of the ileum. ST:INSTITUTE University of Victoria ST:DEPARTMENT The Uvic Proteomics and Metabolomics Innovation Centre ST:LAST_NAME Borchers ST:FIRST_NAME Christoph ST:ADDRESS #3101-4464 Markham St Victoria, BC Canada, V8Z 7X8 ST:EMAIL christoph@proteincentre.com ST:PHONE - ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 8 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57BL/6 SU:AGE_OR_AGE_RANGE 6 weeks at collection SU:GENDER Female SU:ANIMAL_ANIMAL_SUPPLIER Jackson Labs SU:ANIMAL_HOUSING Conventional SU:ANIMAL_FEED Low Protein, Low Fat Malnourished Diet|Isocaloric Control Diet SU:SUBJECT_COMMENTS 2 subjects SU:CELL_PRIMARY_IMMORTALIZED Malnourished|Control #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Control_SI_1 CON1 Diet:control SUBJECT_SAMPLE_FACTORS Control_SI_2 CON2 Diet:control SUBJECT_SAMPLE_FACTORS Control_SI_3 CON3 Diet:control SUBJECT_SAMPLE_FACTORS Control_SI_4 CON4 Diet:control SUBJECT_SAMPLE_FACTORS Malnourished_SI_1 MAL1 Diet:malnourished SUBJECT_SAMPLE_FACTORS Malnourished_SI_2 MAL2 Diet:malnourished SUBJECT_SAMPLE_FACTORS Malnourished_SI_3 MAL3 Diet:malnourished SUBJECT_SAMPLE_FACTORS Malnourished_SI_4 MAL4 Diet:malnourished #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Small intestinal fecal contents CO:COLLECTION_TIME 6 weeks of age CO:STORAGE_CONDITIONS -80 degrees CO:TISSUE_CELL_QUANTITY_TAKEN 15-40mg #TREATMENT TR:TREATMENT_SUMMARY 4 mice were given a malnourished diet and 4 mice were untreated, fed a control #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolite Extraction. Mouse small intestine digesta samples (luminal contents) SP:SAMPLEPREP_SUMMARY collected, weighed and homogenized in water followed by addition of SP:SAMPLEPREP_SUMMARY for metabolite extraction. After vortex mixing, 30 second sonication, and SP:SAMPLEPREP_SUMMARY the clear supernatants were collected and dried under a gentle nitrogen gas SP:SAMPLEPREP_SUMMARY The dried metabolite residues were dissolved in 40% acetonitrile containing SP:SAMPLEPREP_SUMMARY formic acid, 4 ?L per mg of the raw material. After 15 sec vortex and 30 sec SP:SAMPLEPREP_SUMMARY each sample was further diluted 1:2 with water. Twelve-?L aliquots were SP:SAMPLEPREP_SUMMARY for untargeted metabolic fingerprinting by ultrahigh-performance liquid SP:SAMPLEPREP_SUMMARY ? Fourier transform mass spectrometry (UPLC-FTMS). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME - CH:COLUMN_NAME C18 #ANALYSIS AN:ANALYSIS_TYPE MS AN:DETECTOR_TYPE FTMS AN:DATA_FORMAT .raw #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative Abundance MS_METABOLITE_DATA_START Samples CON1 CON2 CON3 CON4 MAL1 MAL2 MAL3 MAL4 Factors Diet:control Diet:control Diet:control Diet:control Diet:malnourished Diet:malnourished Diet:malnourished Diet:malnourished 457.3287m/z_11.65ri 140435.3173 142285.6937 138968.8498 151149.6564 34920.4058 26602.08434 17204.953 21260.58454 376.27345m/z_13.63ri 173174.3572 94745.80918 170152.7596 83679.44551 694849.4821 712662.6698 733051.3446 772504.6302 297.18495m/z_5.6ri 601918.6642 624555.1638 523750.9564 582058.394 119505.5831 158004.1306 205166.9168 192498.8856 298.18869m/z_5.61ri 112167.2636 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140299.0932 145047.3217 124177.2097 117632.423 171707.0577 103137.375 136632.0822 111503.8752 382.25892m/z_5.65ri 1915908.919 1815850.538 2056517.067 1104425.393 1067032.814 1470807.644 2106406.676 2165462.117 137.08222m/z_19.35ri 468379.6159 1520063.525 284590.8901 1817834.406 715027.4294 725737.4034 1128802.726 1625058.124 406.23687m/z_2.18ri 4224.636028 19444.24154 101466.4659 112312.5367 76818.19201 53597.2927 48771.99255 51658.11933 424.30593m/z_5.6ri 5480697.982 5853153.548 5894554.725 316066.3388 5105663.968 3006775.974 4880074.025 4874493.927 302.17587m/z_11.69ri 103771.5705 220628.6177 203399.6532 198985.0321 136319.3835 191983.6725 168875.2095 236735.3972 679.48182m/z_11.03ri 436203.2482 489194.4126 1148221.045 519545.3941 950365.5359 589718.2142 559279.482 534527.1864 730.47641m/z_16.03ri 146785.0538 79898.02771 415717.4501 77361.82559 149309.3027 147757.0946 168044.4766 239523.9766 356.26645m/z_8.08ri 182953.5463 158586.2524 51142.53841 220307.1019 144596.3677 159552.1498 156207.2154 159269.7446 95.06035m/z_19.63ri 1710730.165 1474909.594 288852.0719 704919.6521 1662248.182 1512911.629 538480.7553 385084.2279 316.28451m/z_7.14ri 122988.8288 131931.3634 296628.0271 95009.85994 194950.5879 178347.6957 139542.7494 125127.2905 708.4632m/z_16.07ri 76157.71604 65734.8004 238312.8037 105344.4258 86532.26567 105403.222 152648.7893 147915.1454 634.4521m/z_11.05ri 1568942.958 1695857.913 4186029.739 1899940.247 3298605.655 2208394.718 2011378.833 1941542.768 400.21531m/z_11.03ri 16979.51422 47902.2042 607008.5729 350190.3387 348014.369 275655.4951 178898.7182 197326.5472 412.30574m/z_5.55ri 2658526.786 2697317.805 145538.8997 750707.5239 944350.0114 1453719.406 1841123.411 1908992.998 716.9797m/z_16.05ri 75420.13863 69790.97279 191966.3661 101162.368 116761.097 111641.6793 85631.68556 128334.4357 396.20414m/z_11.48ri 37644.40788 32729.53245 1125715.586 886275.1544 941856.7118 474676.7637 329896.2152 294175.6686 463.28241m/z_6.02ri 26565.49773 46912.56806 301223.2996 181290.0851 136766.6021 101235.3907 152309.4149 174162.205 378.23143m/z_11.48ri 1176.812148 3585.344694 331664.02 304911.5739 285278.5872 148468.3507 101377.7766 93992.04331 603.29183m/z_21.57ri 662578.3912 502129.9998 468436.0583 536365.7518 625670.3523 514901.1113 516246.6327 518389.3591 398.19955m/z_11.48ri 5542.185945 5544.434652 367269.3119 327426.1054 324054.1307 178052.5974 114754.1032 99178.19074 746.44994m/z_16.03ri 42393.00765 50596.49753 211508.9058 157755.2156 89879.20088 113881.6403 132948.2258 122337.4433 547.40316m/z_11.08ri 367095.2515 570006.8473 1131095.732 552121.467 842401.1164 672827.6155 557896.379 559208.6983 401.34136m/z_18.54ri 208842.5694 184860.712 221937.773 193629.1645 221050.9961 208586.2069 184588.6362 194657.8579 774.50221m/z_15.98ri 73895.38226 46809.49587 295398.4128 56800.30966 98461.6856 128671.0002 121919.9405 121783.8973 766.53106m/z_11ri 528178.7269 567778.6355 1316170.922 548077.6907 1109521.181 627858.8267 605503.1063 619202.3282 415.35699m/z_16.05ri 322250.4967 250868.9169 282546.572 263539.9075 943495.2669 788951.8812 831277.8802 838252.8627 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START Compound Quant m/z Ret. Index Other ID Spectra Kegg PubChem 457.3287m/z_11.65ri 457.3287 11.65 376.27345m/z_13.63ri 376.27345 13.63 297.18495m/z_5.6ri 297.18495 5.6 298.18869m/z_5.61ri 298.18869 5.61 410.32643m/z_6.45ri 410.32643 6.45 386.25674m/z_13.63ri 386.25674 13.63 346.16819m/z_3.33ri 346.16819 3.33 385.25986m/z_13.63ri 385.25986 13.63 159.11688m/z_5.65ri 159.11688 5.65 367.18888m/z_12.5ri 367.18888 12.5 480.33188m/z_6.18ri 480.33188 6.18 837.55887m/z_5.5ri 837.55887 5.5 400.33349m/z_13.95ri 400.33349 13.95 371.25812m/z_6.18ri 371.25812 6.18 337.16725m/z_13.39ri 337.16725 13.39 846.04368m/z_5.5ri 846.04368 5.5 420.33186m/z_7.67ri 420.33186 7.67 599.43451m/z_13.39ri 599.43451 13.39 833.59664m/z_6.2ri 833.59664 6.2 416.32863m/z_11.64ri 416.32863 11.64 424.30584m/z_6.18ri 424.30584 6.18 465.16886m/z_3.04ri 465.16886 3.04 177.00832m/z_0.65ri 177.00832 0.65 418.344m/z_13.96ri 418.344 13.96 556.52988m/z_18.74ri 556.52988 18.74 385.18835m/z_11.56ri 385.18835 11.56 300.28952m/z_8.25ri 300.28952 8.25 405.26348m/z_5.25ri 405.26348 5.25 733.56966m/z_13.37ri 733.56966 13.37 554.41979m/z_13.37ri 554.41979 13.37 803.62189m/z_6.46ri 803.62189 6.46 237.22124m/z_11.56ri 237.22124 11.56 555.36778m/z_15.17ri 555.36778 15.17 555.42304m/z_13.37ri 555.42304 13.37 508.3205m/z_11.67ri 508.3205 11.67 264.26852m/z_8.24ri 264.26852 8.24 518.08027m/z_3.04ri 518.08027 3.04 818.45694m/z_6.31ri 818.45694 6.31 470.26481m/z_3.15ri 470.26481 3.15 415.32064m/z_9.99ri 415.32064 9.99 443.35179m/z_13.94ri 443.35179 13.94 499.33406m/z_11.67ri 499.33406 11.67 531.27255m/z_6.46ri 531.27255 6.46 341.16006m/z_13.39ri 341.16006 13.39 719.54308m/z_4.09ri 719.54308 4.09 339.16261m/z_13.39ri 339.16261 13.39 732.56649m/z_13.37ri 732.56649 13.37 282.27903m/z_8.25ri 282.27903 8.25 376.27346m/z_13.37ri 376.27346 13.37 733.06816m/z_13.37ri 733.06816 13.37 284.28547m/z_8.24ri 284.28547 8.24 509.34018m/z_10ri 509.34018 10 356.26648m/z_5.64ri 356.26648 5.64 536.33123m/z_5.75ri 536.33123 5.75 270.27917m/z_7.81ri 270.27917 7.81 506.28678m/z_12.42ri 506.28678 12.42 441.32921m/z_13.93ri 441.32921 13.93 301.2928m/z_8.24ri 301.2928 8.24 531.25744m/z_12.14ri 531.25744 12.14 402.32133m/z_9.52ri 402.32133 9.52 193.09779m/z_11.56ri 193.09779 11.56 265.25257m/z_13.37ri 265.25257 13.37 448.35453m/z_12.42ri 448.35453 12.42 340.16586m/z_13.39ri 340.16586 13.39 444.35515m/z_13.95ri 444.35515 13.95 338.17067m/z_13.39ri 338.17067 13.39 374.32667m/z_13.37ri 374.32667 13.37 609.27426m/z_7.07ri 609.27426 7.07 817.58215m/z_5.64ri 817.58215 5.64 375.28035m/z_5.65ri 375.28035 5.65 644.42869m/z_15.32ri 644.42869 15.32 741.55274m/z_13.37ri 741.55274 13.37 539.4052m/z_6.93ri 539.4052 6.93 283.28228m/z_8.24ri 283.28228 8.24 374.27715m/z_5.64ri 374.27715 5.64 343.19441m/z_13.2ri 343.19441 13.2 430.34403m/z_12.42ri 430.34403 12.42 404.29221m/z_12.02ri 404.29221 12.02 392.28768m/z_5.65ri 392.28768 5.65 505.28212m/z_12.42ri 505.28212 12.42 385.25988m/z_13.37ri 385.25988 13.37 743.05337m/z_13.37ri 743.05337 13.37 1021.72647m/z_5.65ri 1021.72647 5.65 563.40599m/z_13.37ri 563.40599 13.37 562.34074m/z_5.96ri 562.34074 5.96 355.26313m/z_5.65ri 355.26313 5.65 574.38654m/z_11.4ri 574.38654 11.4 151.07526m/z_12.42ri 151.07526 12.42 742.05454m/z_13.37ri 742.05454 13.37 432.2799m/z_6.31ri 432.2799 6.31 504.30598m/z_11.62ri 504.30598 11.62 505.30935m/z_11.62ri 505.30935 11.62 252.26857m/z_8.24ri 252.26857 8.24 318.13684m/z_4.68ri 318.13684 4.68 386.25679m/z_13.37ri 386.25679 13.37 357.26977m/z_5.65ri 357.26977 5.65 473.279m/z_3.15ri 473.279 3.15 235.13218m/z_13.01ri 235.13218 13.01 417.33628m/z_11.65ri 417.33628 11.65 564.40546m/z_13.37ri 564.40546 13.37 647.43451m/z_13.2ri 647.43451 13.2 605.45409m/z_20.1ri 605.45409 20.1 749.57139m/z_6.45ri 749.57139 6.45 416.3604m/z_16.05ri 416.3604 16.05 290.13875m/z_11.62ri 290.13875 11.62 767.58218m/z_6.45ri 767.58218 6.45 465.35689m/z_10.72ri 465.35689 10.72 510.34367m/z_10.01ri 510.34367 10.01 285.29803m/z_8.63ri 285.29803 8.63 546.34583m/z_9.37ri 546.34583 9.37 383.36725m/z_18.9ri 383.36725 18.9 576.40202m/z_12.42ri 576.40202 12.42 247.24207m/z_13.37ri 247.24207 13.37 797.5542m/z_5.62ri 797.5542 5.62 389.30497m/z_13.37ri 389.30497 13.37 471.34417m/z_12.42ri 471.34417 12.42 480.35286m/z_7.47ri 480.35286 7.47 445.36745m/z_13.57ri 445.36745 13.57 469.3504m/z_6.92ri 469.3504 6.92 640.55116m/z_16.53ri 640.55116 16.53 291.13643m/z_11.62ri 291.13643 11.62 507.2773m/z_12.42ri 507.2773 12.42 323.23683m/z_5.55ri 323.23683 5.55 297.16539m/z_11.62ri 297.16539 11.62 463.37811m/z_13.56ri 463.37811 13.56 538.24342m/z_11.62ri 538.24342 11.62 579.2702m/z_11.62ri 579.2702 11.62 431.35162m/z_12.42ri 431.35162 12.42 481.3563m/z_7.47ri 481.3563 7.47 449.35816m/z_12.42ri 449.35816 12.42 434.33889m/z_11.64ri 434.33889 11.64 440.32586m/z_13.93ri 440.32586 13.93 812.50876m/z_11.69ri 812.50876 11.69 466.38892m/z_12.42ri 466.38892 12.42 348.24203m/z_11.56ri 348.24203 11.56 265.27188m/z_8.25ri 265.27188 8.25 480.26566m/z_13.97ri 480.26566 13.97 302.2959m/z_8.24ri 302.2959 8.24 236.12991m/z_13.01ri 236.12991 13.01 340.29263m/z_13.37ri 340.29263 13.37 358.22549m/z_11.56ri 358.22549 11.56 357.22841m/z_11.56ri 357.22841 11.56 350.25775m/z_13ri 350.25775 13 523.38215m/z_6.92ri 523.38215 6.92 362.17058m/z_13.2ri 362.17058 13.2 518.49294m/z_18.51ri 518.49294 18.51 596.37078m/z_10.42ri 596.37078 10.42 468.34707m/z_6.92ri 468.34707 6.92 485.35995m/z_13.57ri 485.35995 13.57 414.3492m/z_14.68ri 414.3492 14.68 416.24723m/z_13.2ri 416.24723 13.2 339.2893m/z_13.37ri 339.2893 13.37 691.52926m/z_12.98ri 691.52926 12.98 482.32392m/z_11.63ri 482.32392 11.63 355.26313m/z_5.39ri 355.26313 5.39 161.13253m/z_5.65ri 161.13253 5.65 427.35688m/z_13.56ri 427.35688 13.56 418.33958m/z_11.66ri 418.33958 11.66 152.05659m/z_0.5ri 152.05659 0.5 385.23742m/z_5.87ri 385.23742 5.87 538.42298m/z_13.92ri 538.42298 13.92 337.25257m/z_5.64ri 337.25257 5.64 508.33968m/z_11.93ri 508.33968 11.93 432.35521m/z_12.42ri 432.35521 12.42 249.16412m/z_5.61ri 249.16412 5.61 359.24417m/z_13.01ri 359.24417 13.01 302.30523m/z_8.63ri 302.30523 8.63 533.2675m/z_6.45ri 533.2675 6.45 591.42539m/z_13.86ri 591.42539 13.86 371.22591m/z_14.43ri 371.22591 14.43 836.537m/z_6.12ri 836.537 6.12 432.35961m/z_14.68ri 432.35961 14.68 339.18287m/z_14.56ri 339.18287 14.56 344.19778m/z_13.2ri 344.19778 13.2 416.32866m/z_14.56ri 416.32866 14.56 459.3468m/z_13.17ri 459.3468 13.17 310.31039m/z_11.62ri 310.31039 11.62 742.55337m/z_13.37ri 742.55337 13.37 446.37079m/z_13.56ri 446.37079 13.56 379.28187m/z_13.38ri 379.28187 13.38 303.30853m/z_8.63ri 303.30853 8.63 552.40017m/z_12.12ri 552.40017 12.12 468.34494m/z_12.07ri 468.34494 12.07 352.17803m/z_12.88ri 352.17803 12.88 304.15845m/z_11.98ri 304.15845 11.98 284.29476m/z_8.63ri 284.29476 8.63 385.21215m/z_3.04ri 385.21215 3.04 177.09091m/z_13.97ri 177.09091 13.97 553.34966m/z_9.69ri 553.34966 9.69 221.11647m/z_11.09ri 221.11647 11.09 522.37871m/z_6.92ri 522.37871 6.92 495.32474m/z_9.84ri 495.32474 9.84 710.44126m/z_11.56ri 710.44126 11.56 358.16999m/z_13.2ri 358.16999 13.2 464.31356m/z_11.62ri 464.31356 11.62 484.32998m/z_11.63ri 484.32998 11.63 334.20525m/z_12.88ri 334.20525 12.88 245.15369m/z_5.61ri 245.15369 5.61 483.32728m/z_11.63ri 483.32728 11.63 1021.72618m/z_5.39ri 1021.72618 5.39 389.26924m/z_6.02ri 389.26924 6.02 510.39174m/z_12.13ri 510.39174 12.13 331.28433m/z_12.99ri 331.28433 12.99 291.04899m/z_0.51ri 291.04899 0.51 486.35759m/z_6.92ri 486.35759 6.92 565.53838m/z_18.91ri 565.53838 18.91 284.29476m/z_14.44ri 284.29476 14.44 266.28412m/z_8.63ri 266.28412 8.63 390.20209m/z_14.43ri 390.20209 14.43 285.18502m/z_5.61ri 285.18502 5.61 504.33731m/z_7.07ri 504.33731 7.07 357.29992m/z_13.37ri 357.29992 13.37 600.4022m/z_11.96ri 600.4022 11.96 837.61732m/z_6.31ri 837.61732 6.31 341.30485m/z_11.63ri 341.30485 11.63 446.30848m/z_6.61ri 446.30848 6.61 482.36044m/z_10.38ri 482.36044 10.38 516.31584m/z_9.97ri 516.31584 9.97 979.66191m/z_6.38ri 979.66191 6.38 547.35596m/z_11.69ri 547.35596 11.69 564.53482m/z_18.91ri 564.53482 18.91 389.19856m/z_14.43ri 389.19856 14.43 385.16733m/z_12.96ri 385.16733 12.96 610.27831m/z_7.07ri 610.27831 7.07 553.4058m/z_12.12ri 553.4058 12.12 479.25137m/z_13.01ri 479.25137 13.01 482.32971m/z_6.62ri 482.32971 6.62 311.25799m/z_11.56ri 311.25799 11.56 460.35026m/z_13.17ri 460.35026 13.17 428.29794m/z_6.62ri 428.29794 6.62 302.20573m/z_13.98ri 302.20573 13.98 464.31906m/z_6.61ri 464.31906 6.61 430.31611m/z_5.92ri 430.31611 5.92 572.36851m/z_11.98ri 572.36851 11.98 526.3764m/z_11.68ri 526.3764 11.68 387.16281m/z_12.96ri 387.16281 12.96 365.19839m/z_14.9ri 365.19839 14.9 137.05974m/z_13.97ri 137.05974 13.97 143.08572m/z_5.61ri 143.08572 5.61 441.33624m/z_13.17ri 441.33624 13.17 525.37385m/z_11.68ri 525.37385 11.68 543.34394m/z_11.69ri 543.34394 11.69 418.34393m/z_14.28ri 418.34393 14.28 128.06212m/z_5.61ri 128.06212 5.61 342.30827m/z_11.62ri 342.30827 11.62 550.38646m/z_11.98ri 550.38646 11.98 363.16258m/z_13.2ri 363.16258 13.2 466.3291m/z_12.1ri 466.3291 12.1 361.16719m/z_13.2ri 361.16719 13.2 578.41788m/z_13.63ri 578.41788 13.63 380.20949m/z_14.57ri 380.20949 14.57 354.17348m/z_12.88ri 354.17348 12.88 579.42109m/z_13.63ri 579.42109 13.63 368.1594m/z_13.21ri 368.1594 13.21 412.27322m/z_11.02ri 412.27322 11.02 313.27376m/z_12.99ri 313.27376 12.99 402.34473m/z_13.97ri 402.34473 13.97 407.27953m/z_6.07ri 407.27953 6.07 138.04905m/z_0.5ri 138.04905 0.5 483.3331m/z_6.62ri 483.3331 6.62 329.26856m/z_11.56ri 329.26856 11.56 589.35138m/z_4.11ri 589.35138 4.11 329.24762m/z_12.96ri 329.24762 12.96 394.19274m/z_14.44ri 394.19274 14.44 531.30964m/z_4.39ri 531.30964 4.39 374.25778m/z_12.14ri 374.25778 12.14 389.16016m/z_12.96ri 389.16016 12.96 358.30329m/z_13.37ri 358.30329 13.37 188.07057m/z_1.19ri 188.07057 1.19 518.32115m/z_9.97ri 518.32115 9.97 572.35805m/z_5.8ri 572.35805 5.8 430.37589m/z_16.63ri 430.37589 16.63 857.66191m/z_13.94ri 857.66191 13.94 692.53283m/z_12.98ri 692.53283 12.98 360.24123m/z_13ri 360.24123 13 263.13888m/z_1.87ri 263.13888 1.87 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415.35699m/z_16.05ri 415.35699 16.05 METABOLITES_END #END