#METABOLOMICS WORKBENCH araskind_20170619_181924 DATATRACK_ID:1049 STUDY_ID:ST000745 ANALYSIS_ID:AN001168 PROJECT_ID:PR000538 VERSION 1 CREATED_ON July 3, 2017, 2:21 pm #PROJECT PR:PROJECT_TITLE Metabolomics of mice inoculated with human microbiota PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Metabolomics of mice inoculated with human microbiota PR:INSTITUTE Cornell University PR:DEPARTMENT Microbiology PR:LABORATORY Ley Lab PR:LAST_NAME Ley PR:FIRST_NAME Ruth PR:ADDRESS Ithaca, NY PR:EMAIL rel222@cornell.edu PR:PHONE 607-255-4954 #STUDY ST:STUDY_TITLE Metabolomics of mice inoculated with human microbiota ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Mice were inoculated with human microbiota. Peripheral blood was collected using ST:STUDY_SUMMARY superficial temporal phlebotomy into a tube containing EDTA-K2. Tubes were then ST:STUDY_SUMMARY inverted 5 times and placed on ice for no longer than one hour. Samples were ST:STUDY_SUMMARY centrifuged at 1500rcf for 15 minutes. Supernatant was transferred and ST:STUDY_SUMMARY quantified with a pipette. Tubes were placed on dry ice for between 10 minutes ST:STUDY_SUMMARY to an hour andl stored at -80C until shipped on dry ice. All steps during ST:STUDY_SUMMARY processing were performed in batches containing mulitple treatment groups. 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@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 31 ST:TOTAL_SUBJECTS 26 ST:STUDY_COMMENTS All samples contain EDTA-K2 #SUBJECT SU:SUBJECT_TYPE Mouse SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10088 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0003764 S00014378 AMY1 Group:high | Day:Day 35 Donor=Hs39 SUBJECT_SAMPLE_FACTORS SU0003765 S00014379 AMY1 Group:high | Day:Day 35 Donor=Hs91 SUBJECT_SAMPLE_FACTORS SU0003766 S00014380 AMY1 Group:low | Day:Day 35 Donor=Hs90 SUBJECT_SAMPLE_FACTORS SU0003767 S00014381 AMY1 Group:low | Day:Day 35 Donor=Hs69 SUBJECT_SAMPLE_FACTORS SU0003768 S00014382 AMY1 Group:medium | Day:Day 35 Donor=Hs76 SUBJECT_SAMPLE_FACTORS SU0003769 S00014383 AMY1 Group:high | Day:Day 35 Donor=Hs75 SUBJECT_SAMPLE_FACTORS SU0003770 S00014384 AMY1 Group:low | Day:Day 35 Donor=Hs88 SUBJECT_SAMPLE_FACTORS SU0003771 S00014385 AMY1 Group:low | Day:Day 35 Donor=Hs97 SUBJECT_SAMPLE_FACTORS SU0003772 S00014386 AMY1 Group:low | Day:Day 35 Donor=Hs95 SUBJECT_SAMPLE_FACTORS SU0003773 S00014387 AMY1 Group:low | Day:Day 35 Donor=Hs80 SUBJECT_SAMPLE_FACTORS SU0003774 S00014388 AMY1 Group:high | Day:Day 35 Donor=Hs6 SUBJECT_SAMPLE_FACTORS SU0003775 S00014389 AMY1 Group:high | Day:Day 35 Donor=Hs64 SUBJECT_SAMPLE_FACTORS SU0003776 S00014390 AMY1 Group:high | Day:Day 35 Donor=Hs8 SUBJECT_SAMPLE_FACTORS SU0003777 S00014391 AMY1 Group:low | Day:Day 35 Donor=Hs36 SUBJECT_SAMPLE_FACTORS SU0003778 S00014392 AMY1 Group:medium | Day:Day 35 Donor=Hs25 SUBJECT_SAMPLE_FACTORS SU0003779 S00014393 AMY1 Group:low | Day:Day 35 Donor=Hs96 SUBJECT_SAMPLE_FACTORS SU0003780 S00014394 AMY1 Group:low | Day:Day 35 Donor=Hs93 SUBJECT_SAMPLE_FACTORS SU0003781 S00014395 AMY1 Group:high | Day:Day 35 Donor=Hs7 SUBJECT_SAMPLE_FACTORS SU0003782 S00014396 AMY1 Group:medium | Day:Day 35 Donor=Hs31 SUBJECT_SAMPLE_FACTORS SU0003783 S00014397 AMY1 Group:low | Day:Day 35 Donor=Hs111 SUBJECT_SAMPLE_FACTORS SU0003784 S00014398 AMY1 Group:high | Day:Day 35 Donor=Hs55 SUBJECT_SAMPLE_FACTORS SU0003785 S00014399 AMY1 Group:high | Day:Day 35 Donor=Hs2 SUBJECT_SAMPLE_FACTORS SU0003786 S00014400 AMY1 Group:high | Day:Day 35 Donor=Hs52 SUBJECT_SAMPLE_FACTORS SU0003787 S00014401 AMY1 Group:low | Day:Day 35 Donor=Hs42 SUBJECT_SAMPLE_FACTORS SU0003788 S00014402 AMY1 Group:high | Day:Day 35 Donor=Hs99 SUBJECT_SAMPLE_FACTORS SU0003780 S00014403 AMY1 Group:low | Day:Day 6 Donor=Hs93 SUBJECT_SAMPLE_FACTORS SU0003786 S00014404 AMY1 Group:high | Day:Day 6 Donor=Hs52 SUBJECT_SAMPLE_FACTORS SU0003777 S00014405 AMY1 Group:low | Day:Day 6 Donor=Hs36 SUBJECT_SAMPLE_FACTORS SU0003784 S00014406 AMY1 Group:high | Day:Day 6 Donor=Hs55 SUBJECT_SAMPLE_FACTORS SU0003787 S00014407 AMY1 Group:low | Day:Day 6 Donor=Hs42 SUBJECT_SAMPLE_FACTORS SU0003781 S00014408 AMY1 Group:high | Day:Day 6 Donor=Hs7 SUBJECT_SAMPLE_FACTORS SU0003767 S00014409 AMY1 Group:low | Day:Day 6 Donor=Hs69 SUBJECT_SAMPLE_FACTORS SU0003776 S00014410 AMY1 Group:high | Day:Day 6 Donor=Hs8 SUBJECT_SAMPLE_FACTORS SU0003773 S00014411 AMY1 Group:low | Day:Day 6 Donor=Hs80 SUBJECT_SAMPLE_FACTORS SU0003764 S00014412 AMY1 Group:high | Day:Day 6 Donor=Hs39 SUBJECT_SAMPLE_FACTORS SU0003766 S00014413 AMY1 Group:low | Day:Day 6 Donor=Hs90 SUBJECT_SAMPLE_FACTORS SU0003785 S00014414 AMY1 Group:high | Day:Day 6 Donor=Hs2 SUBJECT_SAMPLE_FACTORS SU0003772 S00014415 AMY1 Group:low | Day:Day 6 Donor=Hs95 SUBJECT_SAMPLE_FACTORS SU0003774 S00014416 AMY1 Group:high | Day:Day 6 Donor=Hs6 SUBJECT_SAMPLE_FACTORS SU0003771 S00014417 AMY1 Group:low | Day:Day 6 Donor=Hs97 SUBJECT_SAMPLE_FACTORS SU0003775 S00014418 AMY1 Group:high | Day:Day 6 Donor=Hs64 SUBJECT_SAMPLE_FACTORS SU0003783 S00014419 AMY1 Group:low | Day:Day 6 Donor=Hs111 SUBJECT_SAMPLE_FACTORS SU0003765 S00014420 AMY1 Group:high | Day:Day 6 Donor=Hs91 SUBJECT_SAMPLE_FACTORS SU0003779 S00014421 AMY1 Group:low | Day:Day 6 Donor=Hs96 SUBJECT_SAMPLE_FACTORS SU0003788 S00014422 AMY1 Group:high | Day:Day 6 Donor=Hs99 SUBJECT_SAMPLE_FACTORS SU0003770 S00014423 AMY1 Group:low | Day:Day 6 Donor=Hs88 SUBJECT_SAMPLE_FACTORS SU9999996 S00020130 AMY1 Group:Pooled | Day:Pooled Donor=Pooled #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A003 - Untargeted Metabolomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A003 - Untargeted Metabolomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6530 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples S00014378 S00014379 S00014380 S00014381 S00014384 S00014385 S00014386 S00014387 S00014389 S00014390 S00014391 S00014395 S00014397 S00014398 S00014399 S00014401 S00014402 S00014404 S00014405 S00014406 S00014407 S00014408 S00014409 S00014410 S00014411 S00014412 S00014413 S00014414 S00014415 S00014416 S00014417 S00014418 S00014419 S00014420 S00014422 S00014423 Factors AMY1 Group:high | Day:Day 35 AMY1 Group:high | Day:Day 35 AMY1 Group:low | Day:Day 35 AMY1 Group:low | Day:Day 35 AMY1 Group:low | Day:Day 35 AMY1 Group:low | Day:Day 35 AMY1 Group:low | Day:Day 35 AMY1 Group:low | Day:Day 35 AMY1 Group:high | Day:Day 35 AMY1 Group:high | Day:Day 35 AMY1 Group:low | Day:Day 35 AMY1 Group:high | Day:Day 35 AMY1 Group:low | Day:Day 35 AMY1 Group:high | Day:Day 35 AMY1 Group:high | Day:Day 35 AMY1 Group:low | Day:Day 35 AMY1 Group:high | Day:Day 35 AMY1 Group:high | Day:Day 6 AMY1 Group:low | Day:Day 6 AMY1 Group:high | Day:Day 6 AMY1 Group:low | Day:Day 6 AMY1 Group:high | Day:Day 6 AMY1 Group:low | Day:Day 6 AMY1 Group:high | Day:Day 6 AMY1 Group:low | Day:Day 6 AMY1 Group:high | Day:Day 6 AMY1 Group:low | Day:Day 6 AMY1 Group:high | Day:Day 6 AMY1 Group:low | Day:Day 6 AMY1 Group:high | Day:Day 6 AMY1 Group:low | Day:Day 6 AMY1 Group:high | Day:Day 6 AMY1 Group:low | Day:Day 6 AMY1 Group:high | Day:Day 6 AMY1 Group:high | Day:Day 6 AMY1 Group:low | Day:Day 6 2-AMINO-4-METHYLPENTANOIC ACID (LEUCINE) 17472456 18835608 16601256 19163976 17992488 19599928 20315786 15157568 14618274 17212946 20235510 18811696 16633163 18009286 18296686 17633614 18425490 17300000 18500000 19900000 17100000 13700000 14100000 20000000 19100000 14200000 15400000 17500000 14800000 20200000 16300000 21300000 19100000 17900000 16200000 18000000 3-METHOXYTYROSINE 10856 10319 12919 20557 19985 17075 18167 18312 11628 19678 21597 11782 17763 12787 7461 15647 14821 4671 11199 11740 20590 12791 4-ACETAMIDOBUTANOATE 15725 11308 10292 13689 12654 8776 10776 12079 24120 20831 13219 22507 17794 27440 22644 17051 15790 7604 7651 15507 15319 11926 15991 11789 8755 15244 16168 19196 14164 18019 8019 5-OXOPROLINE 196017 381575 422687 400531 390880 290691 287841 350830 187994 217257 329115 368093 274828 360724 303160 427976 525960 384270 634087 464439 448619 27455 624096 460548 410170 449993 440828 579044 596475 777701 580416 588895 703100 612540 5?-DEOXY-5?-(METHYLTHIO)ADENOSINE 29330 75962 79420 32932 57298 32162 35675 32246 24560 37126 44820 48202 31922 31816 44886 34216 49242 110165 177099 148882 247252 216011 347302 213604 165480 226709 236939 214703 337856 113810 212583 156836 163441 204286 440867 215990 ADENOSINE 20037 12819 21338 15160 14661 42004 21617 14078 33878 38700 42838 28848 44911 19253 83593 35789 39047 269327 31763 150735 243593 195297 323989 302961 56520 307414 26679 56569 172193 321373 ASPARAGINE 11573 43800 6400 23477 33456 43740 54961 11242 22554 15108 51410 43183 25591 20150 43952 9937 48638 27281 5784 22056 17752 17359 9522 25843 15848 9242 18362 15379 20730 17438 20504 32571 21011 19464 23542 CIS-9-PALMITOLEIC ACID 1835 5252 3691 7292 35260 32730 18902 2312 2034 26149 42741 3844 1791 4391 12999 CITRIC ACID 109378 482882 55332 215708 353488 280564 408787 240689 204971 194239 317821 369952 283109 240453 386068 393696 345702 337870 354050 455375 449836 88864 116759 394589 512538 166059 268837 212844 93193 331025 216822 914044 724963 311862 70251 274154 D-GLUCOSIDE (METHYL BETA-D-GALACTOSIDE) 50149 173093 54044 89661 138536 118621 107262 72109 41371 57065 123690 98396 112102 109692 171061 84356 129560 112166 86052 72834 88198 30985 47308 106787 73043 51133 78099 76280 46478 127314 62322 113140 121403 65540 30889 81338 DEOXYCYTIDINE 18367 19633 14414 16552 17768 20663 25012 18437 9199 20136 24330 22069 20871 26755 21482 18016 17704 21611 20186 33656 22912 1543 2367 EDTA 72939784 58710344 65607828 62638036 60483092 61282476 58179768 76913256 76619104 68966056 55719312 60178184 64803028 61203468 57525808 30143704 60075420 59400000 58300000 64600000 65600000 66200000 58300000 57200000 55600000 62200000 58200000 50800000 61100000 49700000 62500000 48200000 57800000 63400000 33800000 55500000 GUANINE 224608 230034 176568 239336 190566 233374 234514 141698 154188 192608 237455 201224 188893 180801 221005 213838 197368 222716 213749 235912 1777 115748 3972 232395 146787 148859 8377 149842 259893 265013 256142 7546 2242 HIPPURIC ACID 113716 722291 71220 1529096 839430 959400 5065 734687 76561 90601 129180 109524 1264315 262299 113546 783363 471040 83409 187108 823563 434675 136717 705127 157771 71951 26265 791842 122175 805200 317362 402609 330080 HYPOXANTHINE 3192 11283 6510 3347 5406 3926 7987 1257 2539 138862 187666 298705 430051 253798 1237397 6931 143506 276784 91680 829067 1094796 14816 144774 89850 205817 63378 2790498 748454 INOSINE 5'-MONOPHOSPHATE (IMP) 6817 8572 7208 26131 2717 14342 1677 10937 365107 683668 570947 584052 1068699 49142 869439 781063 760849 1087853 836639 515632 737034 878454 1077158 ISOLEUCINE 9491392 9499933 8637178 9156707 8619694 9681147 9894078 7999820 7169106 8294179 9351217 9439524 8290887 9046855 8868694 8998695 9065788 9159623 9711238 10400000 9459023 6613124 6949986 10300000 9833652 7105117 7636842 9036462 7547118 10500000 7987570 11300000 9629082 8159358 7468135 8395802 KYNURENINE 174074 190054 180784 233014 184189 233853 187068 139629 92005 149752 205294 119350 203362 223560 175014 188573 199436 323602 242768 173498 164811 82145 111927 149734 225741 182636 176137 129718 135608 223234 339228 178242 130303 146524 155186 122357 L-CARNITINE 176717 315337 156068 762158 214798 219529 168809 130403 98372 100523 203610 194215 188546 183599 1056226 155525 284201 352274 564684 584485 577862 748469 461422 258076 335388 564792 449886 378836 1448161 428967 1124864 498911 429182 99324 465312 L-THYROXINE 18782 23132 15193 13779 25149 24199 18560 16715 7195 19115 21886 18278 21063 24464 17861 19843 15356 10847 1221 5558 8530 1044 2327 16880 3834 2354 11201 2640 8741 11375 3397 1432 METHIONINE 4778203 5040567 3883582 5242145 4262222 5156924 5196417 3116280 3399647 4221559 4999725 4522836 4183940 4022442 4904651 4728227 4362426 4768649 4731250 5051250 3985926 2616099 3452635 5050588 4036871 3195413 3141707 4323093 3024910 5464398 3331106 5667305 5350541 3932894 3330353 4719273 N-ACETYL-D-TRYPTOPHAN 112696 281562 184974 247814 92557 194555 172420 125235 114948 95295 163719 161318 128882 153463 133330 111170 224843 94530 110939 144479 82138 56588 65911 118920 154892 98545 97218 81860 51129 123608 115745 121945 91183 107599 55717 90495 N-ACETYL-DL-METHIONINE 74223 136168 119505 118657 95649 112362 125566 74369 91428 56963 127322 148700 78543 79889 77097 86554 144786 52003 69826 86458 54237 46292 48856 66320 79547 54162 40486 45344 103420 62121 66725 63471 86954 54765 82515 N-ACETYLLEUCINE 11600 36428 28519 16260 16853 14180 34417 31202 258136 202340 16099 39692 28880 22574 12034 279775 41582 18830 17505 42949 24189 12559 22482 13825 379884 27894 26783 207770 113352 354978 15981 11671 236383 260819 32594 23914 N-NITROSODIETHANOLAMINE 10581 14441 3617 4755 20834 16454 14577 25952 8157 6779 5536 25451 29639 15613 13802 16695 19932 4989 5828 33948 3067 8148 18239 19497 8809 12159 15482 NICOTINAMIDE 1061681 1932344 1676645 1022411 1568509 997564 1177052 1627544 716065 1547810 1241597 1439253 1453195 1026263 1022157 1152205 2599443 6550785 10300000 7347619 10100000 12600000 15900000 8689137 9014835 13500000 13400000 14200000 15700000 6886328 11300000 5456857 7171121 12600000 11000000 13100000 OPHTHALMIC ACID 33446 30362 67335 45989 32666 58292 56272 42083 54964 32086 76862 65377 56418 32979 55169 68889 53013 158552 237541 104013 175274 178876 233856 143779 164414 242687 275881 361459 217569 138049 320627 158449 148723 353746 345876 319946 OXOGLUTARIC ACID (ALPHA-KETO-GLUTARATE) 20211 3229 15126 8079 8759 11976 15016 19608 18209 14766 15812 11878 5617 14254 9583 9148 9622 6403 24721 9377 20831 20685 9424 PANTOTHENIC ACID 738997 873054 739219 1051420 678639 978968 1149607 582770 859871 776189 1151418 1227213 947940 906883 961528 808679 1091444 740269 401390 1132108 545595 498778 575390 941377 760406 566889 519303 745471 389958 977939 769298 824521 807368 738989 661662 836804 PIMELIC ACID 54280 59997 42563 55945 73462 75958 36813 48874 32898 56875 35470 47493 36602 152391 49443 19442 77547 48630 40147 72690 41300 6104 RIBOFLAVIN (VITAMIN B2) 28492 79141 74946 50553 28172 33277 76471 105099 66314 102718 82057 109435 32901 103082 35626 31150 41989 45252 70871 40578 37335 54712 47173 51608 36998 SALICYLAMIDE 2437 6359 15325 THYMIDINE (M+H) 35108 39819 34425 41108 36172 35839 32843 45276 43073 33970 34042 59060 22930 62652 34616 24807 29597 1121 43623 1159 TRYPTOPHAN 16687969 19230984 12004898 18712380 17720408 20926540 17318044 13795321 10872039 14863575 18962754 15427525 15944549 19927826 18447926 16955888 17432100 18500000 15900000 16500000 15400000 7510625 9236598 21300000 15000000 9880903 8717312 12000000 8161945 21100000 11200000 21000000 18200000 10900000 3503589 11200000 TYROSINE 10900989 10796418 9439000 11835825 8895005 14469439 10919934 7850288 7258469 10401963 12267150 10578244 9021613 11091199 11966633 12555387 12360948 9451700 11100000 13200000 10900000 6860251 8272009 13100000 10700000 8784576 7105761 11000000 6975767 14400000 9509001 11500000 10800000 8287856 9141739 11600000 URIC ACID 277629 820690 1043556 671417 358807 282861 797951 916099 548508 255404 828810 950038 541259 530855 641340 402802 2018896 428971 20246 1001087 617803 269271 435195 384083 54273 761546 9288 218608 175791 339924 269779 355627 291422 39360 187587 342977 URIDINE (M+H) 712547 714686 629442 765066 943296 729794 526700 476457 807566 715277 608707 742184 802404 804883 826265 528758 1210 810755 628495 255693 99251 444531 521440 844229 502542 693995 634681 444938 498680 690263 VALINE 3964099 3642137 3401537 3970526 3782089 4241740 4238197 3274665 3155236 3776702 4209260 3998152 3253598 3980447 4011000 3807899 4012720 3637845 4271746 830448 3314842 2271656 2918202 3618620 3741188 2662186 2932134 431247 2997938 3654525 2938060 4234081 4142998 4114149 4010440 4134564 XANTHINE 4014 16140 3217 1280 10182 1286 2851 312220 1926 524804 190691 556469 4522 124679 166726 77867 509591 645015 14642 8150 20733 941239 281004 XANTHOSINE 2129 2368 3088 5490 2960 2688 6516 7136 3871 6560 5951 3852 4675 4268 2159 80587 13019 85984 36963 66374 30244 107574 10089 29391 38899 25852 65600 99202 24932 8696 1426 30645 260258 XANTHOSINE 5'-PHOSPHATE 4011 2345 2881 12715 60699 32123 29022 32151 61733 20209 51789 54502 62680 43573 36939 103512 16473 128374 67626 88645 XANTHURENIC ACID 36000 108291 43941 66260 38537 78959 39475 11001 31286 48160 66853 41453 99415 71564 51224 57002 60085 65822 82128 40766 70517 58152 41904 51625 82861 72256 69697 80011 67702 82350 29426 49810 76559 127310 65571 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 2-AMINO-4-METHYLPENTANOIC ACID (LEUCINE) 131.0948 1.574 6106 3-METHOXYTYROSINE 211.0855 1.971 9307 4-ACETAMIDOBUTANOATE 145.073 1.797 18189 5-OXOPROLINE 129.0433 1.13 7405 5?-DEOXY-5?-(METHYLTHIO)ADENOSINE 297.0906 4.433 439176 ADENOSINE 267.0945 1.756 60961 ASPARAGINE 132.0539 0.657 6267 CIS-9-PALMITOLEIC ACID 254.2226 22.514 445638 CITRIC ACID 192.0273 0.976 311 D-GLUCOSIDE (METHYL BETA-D-GALACTOSIDE) 194.0789 0.876 94214 DEOXYCYTIDINE 227.0893 0.963 13711 EDTA 292.0912 0.772 6049 GUANINE 151.0484 0.981 764 HIPPURIC ACID 179.0587 4.784 464 HYPOXANTHINE 136.0389 1.063 790 INOSINE 5'-MONOPHOSPHATE (IMP) 348.0488 0.956 8582 ISOLEUCINE 131.0947 1.48 6306 KYNURENINE 208.0854 2.169 161166 L-CARNITINE 161.1055 0.795 10917 L-THYROXINE 776.6851 16.12 5819 METHIONINE 149.0513 0.971 6137 N-ACETYL-D-TRYPTOPHAN 246.1007 7.894 439917 N-ACETYL-DL-METHIONINE 191.0623 4.036 448580 N-ACETYLLEUCINE 173.1051 7.32 75619 N-NITROSODIETHANOLAMINE 134.0698 0.947 14223 NICOTINAMIDE 122.0486 1.114 936 OPHTHALMIC ACID 289.1272 1.175 7018721 OXOGLUTARIC ACID (ALPHA-KETO-GLUTARATE) 146.0217 0.944 51 PANTOTHENIC ACID 219.1113 3.245 6613 PIMELIC ACID 160.0729 5.689 385 RIBOFLAVIN (VITAMIN B2) 376.1403 7.559 493570 SALICYLAMIDE 137.0484 5.286 5147 THYMIDINE (M+H) 242.0917 2.719 5789 TRYPTOPHAN 204.0891 3.561 6305 TYROSINE 181.074 1.287 6057 URIC ACID 168.0286 0.992 1175 URIDINE (M+H) 244.0709 1.292 6029 VALINE 117.0785 0.865 6287 XANTHINE 152.0335 1.287 1188 XANTHOSINE 284.0767 2.248 64959 XANTHOSINE 5'-PHOSPHATE 364.043 0.958 73323 XANTHURENIC ACID 205.0382 4.523 5699 METABOLITES_END #END