#METABOLOMICS WORKBENCH amitch_20151006_9845301_mwtab.txt DATATRACK_ID:386 STUDY_ID:ST000250 ANALYSIS_ID:AN000394 PROJECT_ID:PR000202 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE The Role of Obesity and Adipocytes in Immune Activation on Antiretroviral PR:PROJECT_TYPE Clinical research PR:PROJECT_SUMMARY The goal of this study is the use metabolomics to probe the role of BCAA PR:PROJECT_SUMMARY in the apthogenisis of insulin-resistance associated with HIV-infection/ART. We PR:PROJECT_SUMMARY also quantify the plasma levels of 2-HBA in HIV-infected, ART -treated PR:PROJECT_SUMMARY These patients were substratified into obese or lean subjects PR:INSTITUTE Vanderbilt University PR:DEPARTMENT Division of Infectious Diseases PR:LAST_NAME Koethe PR:FIRST_NAME John PR:ADDRESS A2200-MCN, 1161 21st Ave South, Nashville, TN 37232-2582 PR:EMAIL john.r.koethe@vanderbilt.edu PR:PHONE 615-343-0533 PR:FUNDING_SOURCE National Institute of Allergy and Infectious Diseases #STUDY ST:STUDY_TITLE The Role of Obesity and Adipocytes in Immune Activation on Antiretroviral ST:STUDY_TYPE Observational, no intervention ST:STUDY_SUMMARY Cross-sectional, three arms ST:INSTITUTE University of Florida ST:DEPARTMENT SECIM ST:LAST_NAME Koethe ST:FIRST_NAME John ST:ADDRESS A2200-MCN, 1161 21st Ave South, Nashville, TN 37232-2582 ST:EMAIL john.r.koethe@vanderbilt.edu ST:PHONE 615-343-0533 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 100 patients, one sample per patient #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 509 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 515 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 516 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 517 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 520 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 523 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 524 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 527 HIV status:negative | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 501 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 502 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 503 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 505 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 513 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 514 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 521 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 525 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 533 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 534 HIV status:negative | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 507 HIV status:negative | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 512 HIV status:negative | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 528 HIV status:negative | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 531 HIV status:negative | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 506 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 508 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 510 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 511 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 518 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 519 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 530 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 532 HIV status:negative | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 23 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 24 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 3 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 33 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 34 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 37 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 41 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 42 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 58 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 71 HIV status:positive | Obesity:No | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 43 HIV status:positive | Obesity:No | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 55 HIV status:positive | Obesity:No | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 60 HIV status:positive | Obesity:No | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 61 HIV status:positive | Obesity:No | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 13 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 14 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 27 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 30 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 35 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 4 HIV status:positive | Obesity:No | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 1 HIV status:positive | Obesity:No | Sex:M | Race:O SUBJECT_SAMPLE_FACTORS - 16 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 26 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 31 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 36 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 5 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 54 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 57 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 6 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 67 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 7 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 8 HIV status:positive | Obesity:No | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 10 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 15 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 17 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 20 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 25 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 32 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 56 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 62 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 64 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 69 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 74 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 77 HIV status:positive | Obesity:Yes | Sex:F | Race:B SUBJECT_SAMPLE_FACTORS - 22 HIV status:positive | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 45 HIV status:positive | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 52 HIV status:positive | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 66 HIV status:positive | Obesity:Yes | Sex:F | Race:W SUBJECT_SAMPLE_FACTORS - 12 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 39 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 44 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 48 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 63 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 65 HIV status:positive | Obesity:Yes | Sex:M | Race:B SUBJECT_SAMPLE_FACTORS - 75 HIV status:positive | Obesity:Yes | Sex:M | Race:O SUBJECT_SAMPLE_FACTORS - 76 HIV status:positive | Obesity:Yes | Sex:M | Race:O SUBJECT_SAMPLE_FACTORS - 80 HIV status:positive | Obesity:Yes | Sex:M | Race:O SUBJECT_SAMPLE_FACTORS - 11 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 19 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 28 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 40 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 46 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 47 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 49 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 50 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 59 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 72 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 78 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 79 HIV status:positive | Obesity:Yes | Sex:M | Race:W SUBJECT_SAMPLE_FACTORS - 9 HIV status:positive | Obesity:Yes | Sex:M | Race:W #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_FILENAME Koethe_SECIM_collection.txt #TREATMENT TR:TREATMENT_SUMMARY - TR:TREATMENT_PROTOCOL_FILENAME Koethe_SECIM_treatments.txt #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Amino acid|Organic acid|Acylcarnitines SP:SAMPLEPREP_PROTOCOL_FILENAME SB_AA_Assay.pdf;SB_OA_Assay.pdf;SB_Acylcarnitine_Assay.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Amino acid|Organic acid|Acylcarnitines CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME Agilent 6490 QQQ CH:COLUMN_NAME Waters AccQ Tag (100 x 2mm, 1.7um) CH:METHODS_FILENAME SB_AA_Assay.pdf;SB_OA_Assay.pdf;SB_Acylcarnitine_Assay.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Sanford Burnham AN:DETECTOR_TYPE Triple Quadrupole #MS MS:INSTRUMENT_NAME Agilent 6490 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS POSITIVE MS:MS_COMMENTS Amino Acids #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS uM MS_METABOLITE_DATA_START metabolite_name 1 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 19 20 22 23 24 25 26 27 28 30 31 32 33 34 35 36 37 39 40 41 42 43 44 45 46 47 48 49 50 52 54 55 56 57 58 59 60 61 62 63 64 65 66 67 69 71 72 74 75 76 77 78 79 80 501 502 503 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 523 524 525 527 528 530 531 532 533 534 1-Methylhistidine 3.048994195 2.539106532 2.942748065 1.713535082 2.991548467 3.361494522 2.977980849 3.80334822 3.760757874 3.701008843 2.906572322 2.197707318 3.398202138 2.631125891 3.774818859 3.351249602 3.417179303 3.936105886 2.657600947 2.239956726 2.022265055 3.948015659 2.99186943 2.221613343 3.045342016 3.147338397 4.858048066 3.604757955 2.569509251 2.847894979 3.034588093 5.004235161 3.602771206 3.556582892 3.158070189 2.513420316 2.919896257 2.312102444 3.798462607 2.628636649 2.723220846 4.209363629 3.986645737 3.443734563 4.249980681 4.687527028 3.531359142 2.375009997 2.239740609 1.818544972 2.732207481 3.440667009 2.928916756 3.545193444 6.012682252 3.279216636 2.398648048 3.678413959 2.645965275 2.919218808 2.461258304 2.103537101 2.099081868 2.18128601 3.346008057 2.569088793 2.727723171 3.605626163 3.040404345 3.148451033 2.17388816 1.772746528 1.3219161 1.585086997 3.3446813 3.725316643 3.187472441 2.451240214 2.877174621 2.493006301 2.625739351 3.896327217 1.740950806 1.811593492 1.743385911 1.640529885 1.703440593 2.28185062 2.889164013 1.661753763 1.681664484 2.39892231 2.171400585 2.487718639 2.897693049 2.131697246 2.37593441 1.93061703 3.223027995 2.605678951 3-Methylhistidine 7.076637714 14.99089991 4.119736959 3.464728375 23.81226273 34.59240826 18.31757217 33.80341449 14.94578795 22.87115234 7.541628882 3.622289217 21.80311026 8.551226213 9.803762026 1.738447193 16.64383932 24.27251832 2.53870907 1.301375978 3.109376718 6.153460664 22.26800903 0.985039924 12.76563097 15.79665988 17.04965689 16.36686757 10.34302161 20.20200065 3.000116644 44.1765979 13.40269788 22.96170962 26.95720885 1.924299442 1.337614849 1.463678106 3.135911238 4.943006591 6.370624699 4.140410014 14.27874293 3.118531742 32.32623165 14.92218412 2.458596217 12.38313836 2.524347958 15.9744778 5.205069215 2.240310814 7.837126276 3.415666642 65.20214555 7.010094138 2.361500309 7.612627022 1.625264745 9.821852018 6.348959143 16.73193218 16.73380167 12.95343177 20.72221452 12.52871904 8.039927128 23.1058051 15.60174636 4.027201066 4.179600121 5.645199217 8.772375905 5.060129209 3.166885108 30.78368198 2.503492188 5.339781416 22.04247588 14.52984346 6.461297957 30.9224837 0.827688947 9.054291687 7.35671153 4.138202038 0.612503833 5.198886812 8.221414141 2.440471182 4.463357691 3.732954556 9.210617439 1.9429646 16.61316055 8.088087875 17.51385978 13.16321996 45.28350457 36.09088833 Alanine 403.057374 273.9296246 386.8836749 273.2481571 261.521019 236.8022503 238.5295023 234.8013747 292.784353 339.994604 266.7518235 211.3393831 196.7774254 466.0374838 490.4628526 233.1832877 236.0412609 228.1924616 314.2505055 210.6997113 275.8601727 254.7501924 229.2367658 229.5162838 295.2079826 294.5579038 213.9201971 303.4957204 129.1045226 257.8611575 222.1389169 358.873254 162.6406135 321.6668192 305.63076 263.2590602 183.6641982 238.9500278 364.1651205 361.6203817 234.535348 461.6908376 320.6805831 294.1743867 263.9321459 407.9389428 316.7704691 213.015577 369.5505259 311.6689713 113.9275908 222.5955053 233.6195372 389.4669157 442.5592273 318.1826581 277.798232 299.0848378 239.3249146 201.5797719 271.307599 277.914109 255.5381211 260.4017683 255.3473463 307.2879832 262.6109456 247.237313 275.2169598 302.9491892 483.989608 314.9732045 209.8818118 244.0237956 349.4175389 172.895534 326.9304899 199.6669508 283.7750044 283.4473605 360.0867638 297.8725825 355.1148303 204.4249239 249.4628647 388.3631396 346.9200076 220.7801257 171.9465648 257.4714961 174.9425062 332.7923852 273.6943504 358.8337037 199.0472863 276.2279686 234.6114477 178.8462766 372.754737 480.1921336 Arginine 27.96156893 30.50159774 27.64207101 28.29812307 23.47332571 19.60290512 40.38108449 21.39038841 28.2348263 31.3351985 19.44966927 18.99523141 28.84959845 37.14305251 33.20606498 31.16045031 29.56232433 25.28035881 29.25652134 41.15825602 24.38350812 28.28693621 27.04554522 42.18346198 23.38460593 48.40556646 44.43118299 36.54439612 23.04328274 29.23063536 31.03989437 40.7280181 24.3383814 22.56485589 23.68489001 44.16762141 27.54109233 31.04312043 12.63433637 14.87825144 32.54172341 21.9973784 24.06759456 39.56945568 18.81477951 26.04275297 29.66660099 32.2530729 33.14033073 11.52908593 22.0089649 19.91447861 22.89533792 32.3457405 34.5433801 31.29558979 32.57525669 29.84453084 29.36540777 37.2727885 40.24233426 46.57211862 35.48342608 31.90731688 30.1436431 35.12079431 20.62932935 30.42930168 20.30067129 25.71838209 16.31076997 23.06755691 37.57887962 26.87335678 55.95058148 35.88569143 34.63439897 20.52271536 27.85033524 35.80761345 45.65998488 25.86027314 8.446091229 28.46045041 27.20792007 41.61802865 21.76498932 24.51082263 23.21559047 16.593435 16.76658271 36.25527622 32.49308905 40.34211174 26.23449348 34.64764971 36.28621661 29.79052447 41.4282642 34.52566444 Asparagine 46.00751912 32.34638462 43.45908571 32.92224812 28.23218639 32.13112143 33.31672037 44.40662336 32.29978858 28.44847108 25.18639485 36.88685826 31.28420255 36.39599904 38.74066843 30.06078155 36.48946711 34.11121081 26.8682322 29.3051381 39.21192159 28.36977128 38.59659272 36.72003224 32.32964942 48.34623253 37.15541162 34.19122765 33.48665313 58.81886072 35.0104037 37.50911144 30.25392477 24.7087277 30.24307899 29.79938172 31.74590939 33.67974447 28.59655499 29.03751874 38.21378231 28.59521051 34.51833093 41.51408996 32.2060553 30.6941898 51.7456752 34.99681386 35.13588129 48.23266096 19.09791094 24.76765401 34.33913282 37.90888994 39.10881681 33.9599537 38.43207835 25.70090852 25.17671639 32.34821567 34.05781111 41.35417123 48.09488134 32.25067702 30.70788261 32.00074667 27.54850448 39.32506233 27.20159946 31.34689975 32.38424122 24.98724901 23.6132036 19.0483356 47.7405616 37.86936197 24.90038402 27.29346838 39.79849496 34.5990816 34.93614092 35.71927173 39.65875383 32.49968825 30.79847374 38.4137619 26.82219271 27.75337338 25.26240998 30.9897941 27.1698829 41.61712147 35.33730808 28.8223464 45.68369222 29.86495622 29.29825948 19.46226506 45.39990645 43.57872705 Aspartic Acid 5.332095661 8.786573192 3.038696804 1.933950376 3.756193569 3.649511687 2.695638097 3.648432345 3.093364742 5.983561478 3.203565461 4.095463094 4.260176569 7.169463668 6.251946046 5.858552252 2.811193042 4.799000108 3.312170872 1.56664748 2.809933346 4.606424439 2.048909196 2.611485008 5.659113015 4.667052565 2.056381815 3.793058156 4.926173778 3.11509061 2.589251525 6.192526279 2.624526198 5.268571589 9.313625867 1.053204654 4.207310696 3.031691584 3.365470298 6.433847774 4.151151342 5.184399514 15.2032653 5.947071013 4.152154938 3.820282854 10.11962132 4.676180806 1.334780728 2.298599071 2.130454523 5.53150943 4.111728515 7.663648575 9.514031559 4.671548697 2.457999281 3.828699491 6.93223597 2.713927915 3.636813286 1.876324237 2.622793482 1.517860263 5.934506179 3.219646087 5.822351612 4.539879519 2.226725414 4.324469826 2.905704695 4.848536263 3.220210111 3.134351554 3.26744279 4.856164661 6.599680038 5.380379314 3.51385776 2.907794495 2.614104281 5.244155133 2.514212325 1.204817028 3.560862808 6.954367904 4.935532558 4.537856216 5.045235809 4.562515678 3.548115134 3.496848353 5.271137328 4.59119192 2.094019793 6.544262988 6.532685233 1.50522411 3.437481623 3.171777546 Citrulline 22.44309236 15.56405797 26.25763018 31.86806743 21.14246795 25.4353559 38.07730073 30.21920566 23.3341139 24.45158967 16.19582123 26.03841237 33.93701588 25.84562255 30.09517843 31.2126854 36.83257342 36.52714343 28.33917324 22.27087254 28.99040359 15.69104635 22.66817965 31.78760343 29.20293203 39.00569425 77.94895299 33.34950634 25.90204121 9.375837788 31.69874401 24.89998254 33.91535285 30.22991622 21.52219772 38.3943882 37.3549554 42.73281966 33.24925983 27.72348385 32.69229826 42.15454627 22.71729061 43.5176929 25.57628803 34.87560961 43.09590552 32.33524445 37.62160193 32.96248244 28.33902453 29.85071883 44.18019979 48.03505016 39.44446205 29.724907 39.86734778 34.80854856 24.72876297 27.19692633 29.44841814 69.93477177 65.3604146 19.2868586 25.57918445 26.59937994 29.00125955 39.74644644 32.16934471 19.40223765 28.7018469 23.35682623 17.96183688 17.43223833 30.53229257 32.1199569 26.84154485 23.05109213 33.17578917 37.59264116 26.82801907 32.39157816 39.81798403 32.00893908 31.0687068 26.58669735 33.74307257 39.20855684 15.50576295 19.50297444 17.85730243 23.28013842 29.93896545 18.58998007 36.78827892 32.97016078 33.22120866 20.23648051 47.46108497 26.29349731 Glutamic Acid 32.63837433 23.53415629 18.86965024 41.82741289 43.13338991 35.03615147 20.86239974 37.48632044 28.92841561 89.20287351 38.11914862 37.94557566 31.41975957 37.80545881 84.6081563 58.83390754 22.24137819 34.54048101 57.34517888 13.70166038 19.6410428 22.26987909 13.12552787 33.40390184 58.59403742 36.68794566 41.30711374 29.16406525 41.97933936 27.10090931 31.69455666 45.51322013 63.52166015 78.48756071 75.61185814 21.89883012 29.65308223 18.27524382 70.64468886 28.55869597 60.69749516 79.99641102 73.64063903 43.00206413 35.43570498 113.3138784 45.36609289 29.20373804 29.89601463 14.90062008 27.72845153 95.80744934 27.75534413 39.58096296 42.21052101 42.98252185 28.74066206 72.36854287 75.79552845 28.05240938 57.10890198 43.58161747 41.93180051 17.88283263 45.77787461 41.71859098 57.84764399 35.46464829 39.44803832 45.7413274 35.11532937 68.08931433 20.43356684 40.9398356 29.8284338 60.8143805 87.86980967 23.80693569 44.6950651 50.74235139 41.79208566 36.78976598 36.75059295 12.03881323 25.38587839 29.08687623 67.81795079 82.88306877 45.39756164 41.8638978 24.8440747 28.20533401 42.80484972 22.18454066 28.18355143 105.0885021 85.5163786 32.54359357 38.21277885 26.57523379 Glutamine 526.414249 369.4025711 431.6577102 424.8256531 307.0128473 240.3479535 394.1307655 308.6304815 331.8923032 360.1950586 192.381043 321.7722091 263.0509996 314.2478973 429.5047415 475.2029497 375.5945547 264.0710773 498.438269 356.3850102 500.9024478 317.2886 457.2125219 515.0393073 309.9602676 754.5754753 427.447749 388.2872912 278.1742116 589.1030158 405.537743 543.536121 361.6448589 347.7997206 283.8755921 269.0853704 430.7523309 438.2833328 138.7569007 193.3773617 386.1517912 228.807617 349.7294461 633.7653342 289.2958877 232.61717 293.0720677 397.1645801 352.9207032 193.1842623 288.4665202 217.2670183 409.4270915 541.7658844 538.0635302 408.4879401 496.9416528 343.4792769 441.2111276 316.1073199 323.3059569 267.750429 327.5825374 350.348477 360.7126789 397.7239104 247.9715927 345.281651 330.2474135 313.0920086 426.8087285 238.6735114 386.3025391 345.3071399 731.3932442 356.8938414 323.8951849 194.2856899 325.7046694 353.6548951 442.9668433 184.3284833 97.80100877 222.2805537 194.4487983 346.5970411 396.4610739 393.0305627 331.4627384 227.4266566 250.1719948 380.3841394 368.5211547 362.5595334 314.1267101 387.1984731 365.9001433 327.356126 442.4541849 473.3682524 Glycine 208.7955722 204.4692274 372.6626006 182.5133033 181.2350448 194.9589618 202.5713052 262.9769822 168.8796702 143.6610467 188.6621533 311.9921013 234.5883359 229.4471396 273.9764348 298.6875706 209.8980351 219.6637155 263.5184813 248.8668713 228.2211184 268.7454263 262.6141074 247.7328685 209.0953215 342.8273876 253.0617147 223.1457058 173.075058 269.0469829 220.2534824 264.308227 159.477791 210.0237549 140.4247921 251.8463568 226.0262406 194.4525684 146.799625 266.5503593 307.0443282 203.2463869 164.8061848 261.5520741 177.2102415 157.0149962 322.7859441 223.9759012 234.4232732 225.1262787 115.1741795 156.9122131 201.5891894 281.2006907 177.4429119 287.9341206 234.8126357 180.7811021 157.26119 239.6252123 344.3356042 184.2004138 195.3517226 296.3490093 181.1464638 170.6155043 237.5014403 242.3806637 162.7063284 186.4965096 248.3255241 183.4326413 218.6605058 164.2491272 248.5588147 188.7696876 219.5473133 251.0734332 217.6673987 227.5446952 213.0940855 155.1289854 333.7990856 334.699091 381.2000308 371.5186388 150.791834 151.2902505 297.0504438 164.7989487 201.1897866 150.2171775 268.5399609 156.0446524 311.5759219 182.1326799 162.2125668 163.5564177 398.4794785 302.539394 Histidine 85.33654269 78.2195174 71.18749152 67.10064974 62.20962842 71.43489545 69.91671732 77.63200207 61.60736129 72.86225012 59.26598231 60.05506263 54.62549078 65.90394829 78.59645443 67.74530171 80.05598386 71.23446617 69.8370654 52.66733606 57.73094805 65.99152829 63.14544875 77.93799794 71.40090055 88.60120226 84.91426195 72.20169676 59.1817211 70.50259704 72.87836381 73.69318114 65.87644743 53.45668808 58.00590596 61.00200633 61.29377849 70.45337438 66.65915091 58.01488885 75.84352073 79.98300216 71.45396586 70.27794265 77.4354757 88.2225354 67.0759683 56.64818939 64.05821718 70.39502476 54.17992054 61.69928779 67.55474779 82.93623071 77.98308785 73.53090055 77.34249298 55.060581 73.24894583 57.18342692 65.30827866 67.87453791 69.69156561 69.7240972 91.1319854 61.1236615 59.03335733 71.31608355 64.58850823 73.82091802 82.6125591 56.02604222 48.65277765 47.63004734 85.97488197 76.78525568 64.20894236 54.65276074 74.25788994 76.48435293 68.9923309 70.01517327 80.62932264 66.39368236 53.60575366 78.9035038 61.35972006 57.89084433 65.00209303 60.10250536 61.46269737 79.84544513 62.55717959 56.98689286 74.61547005 65.26661528 55.5923334 49.42324733 68.05771184 60.01977681 Isoleucine 64.40223546 47.33992509 51.74904099 48.11323862 68.73728135 47.91920282 43.45623096 66.85749453 50.73283025 75.89882012 51.71642006 62.42629123 64.13961241 54.88129496 79.47183088 55.73610209 54.13835671 69.84793283 40.14363433 40.90614513 51.70594301 42.67405097 53.07896269 51.11914408 64.7311968 65.8974449 67.39488926 50.78193672 29.41601737 82.27819312 56.17439215 51.67619139 45.37606314 60.06360277 68.07998665 37.10027127 45.86624859 42.8042135 77.35030127 47.69892053 51.92043106 72.38278882 50.85008983 63.19187713 53.53145691 101.446511 49.01418031 40.88066532 66.7514315 48.41006673 33.26223974 46.19600987 43.78890002 49.42836074 62.16437141 55.71633779 53.92419408 55.84579971 56.15512613 62.16381893 58.72176157 59.22419508 59.47072575 43.51020972 77.35440582 65.31654927 44.40715791 58.7118901 53.95436575 60.22298734 54.96610617 74.34687014 34.58982764 40.39603176 86.82642076 50.69260686 63.82959738 36.35570118 67.46301121 59.83575408 66.62093518 78.07040614 49.27392658 40.53482677 44.76042579 58.60656988 47.34182555 54.33891095 41.77058882 54.8268177 36.1889067 53.81847757 62.03000763 60.7671974 68.80514347 65.71383669 43.84800013 53.07412327 53.23221916 73.38564936 Leucine 138.2485146 82.93136322 95.05273903 107.6867882 121.2892028 89.06110065 80.51178906 139.0411805 76.54715787 146.3508069 85.06042856 92.06926757 95.66611522 105.5010398 127.3409357 86.49701729 109.802189 107.8315357 69.54540331 74.8734593 90.59874401 78.12099075 86.22144109 99.60524399 125.4019618 117.8331723 160.1978022 91.11477283 61.63269276 134.699918 96.53982475 92.44110119 83.06349648 96.62372363 119.1242747 87.55412921 102.2720732 68.41492454 107.1129416 79.44664987 112.0829487 140.7918376 113.8114653 110.1143889 114.7779393 141.0906618 72.98762354 79.38616835 129.9456337 104.9809687 80.73541372 102.1374724 84.9968658 95.20590543 122.1198431 109.0618845 99.62485044 105.3137796 93.58500954 105.6407802 93.69376658 81.16865692 83.37864985 84.70470918 126.0234576 127.4942303 93.56506623 116.3705795 89.17786956 135.8173017 113.4036904 110.4741701 68.54618185 93.15152771 163.5500159 97.07172151 121.3749951 60.75636506 128.7596462 117.9081972 129.0891463 117.8777549 105.5952043 72.08821141 79.39368551 118.6964826 78.28075923 93.13091915 96.26369404 98.0511988 77.51617377 95.25451557 117.8043356 115.5851358 103.7945279 100.8473303 99.87428535 102.1620601 97.02158549 121.563049 Lysine 391.4730962 192.1640857 164.7572076 200.7008589 235.9597395 167.557617 215.3779067 209.2629999 148.4034307 223.3025121 122.9364737 237.4832821 147.221477 288.7628127 221.9029991 190.3864129 232.6168726 203.8434614 220.3772713 152.2146746 134.2521487 193.2219297 192.1625494 159.625885 690.2572936 252.8114554 180.9845048 197.4456701 150.3741298 236.9842434 135.1519072 260.2259104 152.4436344 158.6923725 182.8637021 141.9210383 439.199566 270.8746929 201.9617723 190.1194541 207.1754963 272.4521616 249.1079658 246.4432085 190.3014897 284.310145 239.5967739 137.1971344 210.1393902 614.276112 139.5289295 174.8884471 204.6807838 236.4690448 207.5878216 181.7199207 172.5576522 215.9606564 211.2746564 134.5264455 171.8256684 148.7579735 210.9170095 227.1038421 256.9080914 226.6743979 202.4472789 184.7953456 178.2083086 233.40434 284.472036 178.6218041 149.5538124 142.4521807 265.9935773 182.9352713 186.595804 194.4420506 287.737974 201.5125915 191.135436 308.815736 320.8566209 136.7561279 140.5275484 195.4867901 199.1390044 154.4444932 284.2086372 286.533324 194.6548368 185.1438803 261.6612284 288.5001368 410.8028155 200.0239633 146.5416363 120.0894796 267.8957321 330.3289493 Methionine Ornithine 54.12866649 31.426871 33.8373886 38.91834917 49.73758035 27.17200673 32.26539454 36.88347139 30.78467646 55.47245868 21.55988269 34.62478239 44.39515441 39.91524814 57.9657819 38.07332512 41.73937442 58.65988824 34.85480543 29.3261039 47.18067919 23.96022001 46.01482838 44.90813096 43.31104709 51.63058738 56.3116096 36.0605816 29.95992017 69.88307922 26.44653847 44.41805166 51.93430173 30.32186627 28.42056208 39.24200987 26.540648 40.06825682 48.12328901 34.20993847 53.2166205 42.74222825 52.2980406 61.92897562 33.81812835 80.78351149 62.64061354 47.08917193 46.53667347 45.78365255 20.36249988 37.1893798 57.79600341 47.52463943 46.24953292 42.01915041 36.50935486 62.79745003 33.84283672 34.7862024 33.44873325 62.85778938 69.80346165 39.12317353 48.01402158 43.00205592 40.20374913 48.59977571 45.39104489 40.69592163 86.81437824 45.74395041 34.7450847 35.35569253 46.56877577 46.93859254 37.41318608 34.24166687 42.55829014 49.56599654 43.39433553 30.27450046 45.78071017 36.91056559 24.92501053 45.45634869 44.07485205 39.85191783 24.8016108 25.59390339 26.95785622 24.75378634 48.86381035 50.46056753 53.66312852 68.23676971 38.24243447 25.80181697 77.14390935 61.07475478 Phenylalanine 49.81978988 33.75339744 30.54631001 36.97026097 41.27005447 40.8227075 40.45070928 51.10407549 40.76102833 58.35600442 43.23779117 27.09251924 29.67456318 39.71725879 59.33165762 33.22710671 37.49784763 40.72686512 32.25630537 32.60976092 33.53994667 41.70831751 39.07174957 44.58849973 39.30245471 52.3051977 53.61334149 36.54717133 28.54214966 47.30934196 38.41289429 39.766061 37.66184847 33.385375 40.35034505 41.49265262 28.76712476 31.73849632 47.6515486 34.66779341 46.44136236 46.66116074 51.00269481 53.7428857 41.69504754 57.31414897 38.91655375 42.80697005 42.16872602 49.06281474 42.87047527 38.20200339 41.97322657 30.78200353 53.21050422 46.80048458 41.1847604 46.50633184 45.32799421 35.18853235 38.8236734 79.14271562 84.56752468 32.50808638 42.74704573 44.39382605 36.82497352 55.873031 37.72330354 49.42388231 37.82305802 39.91033467 33.94408756 38.0680836 72.35235388 49.79800084 49.21670456 34.56147343 53.81664461 44.18661467 55.10947661 45.02423508 41.82757322 37.39579362 45.49781193 50.7288132 29.85393208 36.60586021 40.80042785 35.86327305 36.01944214 41.54195274 41.49319607 39.78621986 47.25116769 37.79482745 35.54958468 38.94215217 44.96753714 47.88051115 Proline 120.7403639 81.21886316 128.5521105 252.291082 139.9120338 122.4393521 152.8447265 113.7526432 89.78762219 237.2594491 113.5947102 111.4665255 111.7194411 176.8319001 197.2714887 99.77733814 170.5095496 139.7070667 156.1174035 103.9612269 67.18290229 80.37888234 174.9230197 148.2546836 387.5287215 335.1103188 126.5756125 144.0547455 78.91179423 123.8551977 104.078842 149.7709903 95.68132076 117.2975039 140.210877 132.9849985 122.9856674 99.94558235 133.8488583 114.453535 159.3270572 171.1335924 94.99633453 142.2342089 137.4902137 192.0692084 143.6000926 94.72629871 177.2545669 356.6950304 63.35750475 98.8129851 136.5254847 172.7505517 142.8593053 154.7754756 143.4584109 143.9040132 98.37214991 109.8276673 120.8343802 163.5129576 184.6072123 97.22029935 130.0725135 169.6311215 110.5116157 207.8894334 127.685076 119.3598345 156.7722796 159.7489815 97.74164281 110.3401519 131.0879896 115.2475564 254.1709102 129.1413534 236.4341127 185.5231071 210.7531717 92.38105781 92.63149 69.55485197 144.1216264 134.4454464 212.0876247 114.3532754 92.17344574 87.71616648 64.80331981 111.5812393 101.9025257 129.8524846 96.29840907 154.0105888 126.2791293 98.86248975 198.3648204 242.2161224 Serine 80.02495858 99.2101448 69.28057448 53.62188999 80.70470476 49.66621502 50.04762542 80.53287266 68.48910871 69.53374625 49.67504467 79.98826312 64.257973 100.5926307 99.14391718 85.31668172 54.48205278 86.07789059 50.20300174 53.93117671 85.23224953 67.30883951 77.39590832 70.36227259 70.19254953 101.5505194 61.30124373 63.17259066 86.32513599 110.0815964 88.89629394 65.2456737 102.9329033 72.1191363 63.40319447 74.75434059 72.0846789 58.14652813 56.10655577 83.24600149 76.15674022 68.69014897 97.86896696 82.45208831 76.90269285 64.68532802 82.15419294 68.54846314 48.84983061 65.46134 40.55146648 59.13048223 68.15358346 55.37264415 68.55694565 84.35946266 78.70614911 48.11352222 52.32434995 59.44090407 79.4173847 87.10058232 84.8061386 94.3892792 58.25470499 77.44806474 84.62249119 98.17980811 43.37651539 78.26766887 71.02977487 62.30142678 77.86627677 51.74502039 77.58090549 87.35233034 61.60538357 102.37143 89.97707476 82.28021122 76.59280846 57.57382874 104.4551069 110.4144885 115.5121461 111.4598245 68.97621642 56.69063443 72.86143432 101.6679673 58.99557621 74.76910885 78.87743466 50.76744163 75.09569073 74.73281327 54.51002063 41.78651071 93.67887156 114.2548767 Threonine 99.50102748 142.0105339 103.23986 78.96893582 105.9253113 74.04290628 85.25151178 116.8633678 82.22464887 99.85182614 91.23021034 97.85849419 132.3164002 186.7578086 112.052675 88.43488162 120.8126927 135.8288318 94.3710326 80.84631474 61.11242853 60.908965 140.1586672 131.5704644 87.80104961 207.0457733 87.37241029 136.9494267 94.242702 186.218091 100.8192374 112.6461789 111.0812105 83.99099378 96.94857584 132.3592744 94.08492894 100.8884531 83.10799732 97.25468536 122.4356024 69.61325604 71.70742724 118.4939047 84.75986913 139.4900783 147.5046888 110.2151071 114.3041633 84.02367505 70.94692642 59.72139327 77.19123898 98.96259884 115.5158978 129.5289217 145.1292061 96.22163402 73.69301259 74.92038955 112.4908838 107.2328938 119.6527296 79.29290796 70.44205535 91.87385626 81.94319466 129.2862657 70.76893614 94.12671849 112.3117796 117.3579926 98.41802936 85.47570186 123.6829479 122.163618 81.54874034 116.2917394 124.198831 130.2316648 122.680895 117.7569926 149.1799562 105.7412059 152.3867297 179.4629544 101.563382 62.85851425 68.92766845 149.559003 66.29550026 162.6962496 189.3530814 132.4548623 181.2898358 112.7707688 72.53081797 52.50327375 167.101898 164.4670848 Tryptophan 38.74958793 33.35580081 25.1852746 26.40786313 38.17816138 30.49530468 35.33288199 29.54799427 32.14532152 46.54269269 36.64279762 29.75671563 25.90560276 41.12688291 27.26916267 26.53870604 37.76480303 26.80623952 30.50669248 18.71358653 27.90096842 25.36824708 22.37621924 39.60908548 34.50469584 41.67494128 33.29387302 20.51247002 21.81449659 30.15232728 28.65581741 28.54429447 32.85371227 26.25868865 33.44722589 26.78542053 22.99774282 13.57471809 33.66162296 34.12699228 21.22835992 35.32798085 32.26372143 29.37123623 43.61141305 45.79544198 39.27708074 24.81541542 34.96374698 23.67616583 23.21788054 28.00847289 27.69837823 13.6414312 31.27621386 33.2810652 23.23563704 29.36595507 36.91236739 19.75651723 26.62058499 40.52265869 45.13046108 32.45510574 43.32888857 40.29065975 25.17868289 40.09407109 26.44357458 34.04168705 36.79876879 25.14913329 25.02824336 28.6594159 50.14049487 27.23034695 33.8746834 23.81644737 31.97112325 39.98698115 39.51967308 40.51829949 50.2626003 17.96063929 19.30813984 39.85566955 29.25028819 32.89543296 27.71890163 29.0715251 15.87999984 36.82761602 40.33465845 29.79409132 31.60374867 39.96196486 36.28525008 34.01472402 35.56554617 44.55905792 Tyrosine 51.68947112 47.49897837 31.80786368 57.03502527 68.239945 27.42049328 38.57033673 49.45330346 42.01488093 65.34062755 39.41614698 46.77564297 42.99428705 55.37679859 60.2456816 42.69249249 39.64607754 62.07335335 30.55038714 33.34819065 40.57350295 60.10934265 31.68482442 45.2792283 59.83180337 76.45937845 41.26506826 49.96212727 30.8805399 72.25497488 43.17232157 38.9419508 42.86894692 37.0297358 49.62077805 51.58543272 25.5581334 28.95630762 54.32697169 40.66271918 51.40211196 71.390784 46.69704165 57.93501827 52.68626535 86.02133483 37.75027363 33.40040958 45.93232097 44.1034695 33.48826433 40.27982664 35.75372257 34.48028039 55.0277916 55.05133482 43.34504008 45.67933777 47.81595824 28.74900469 47.82895643 96.50189644 109.0539184 54.24074287 48.08090622 57.48205996 50.82992411 49.81357897 40.13215382 53.5212219 62.32318664 32.34836162 18.33662029 28.25571785 85.90244764 56.06380161 58.24308389 35.08010767 57.1660069 53.01908869 75.85476621 53.31768672 41.69688519 21.4582593 28.10689858 52.32511348 38.81862515 36.97115859 25.95784327 26.79117076 29.7415285 56.790125 39.00255132 84.63557421 35.568333 51.62087623 27.1526285 50.61023502 48.61292357 66.36356058 Valine 243.7110606 167.819762 176.9172455 194.8284771 248.4089386 193.6386433 141.3084856 218.9231474 159.844243 311.0261598 151.7452151 153.9216457 198.0892778 209.4476964 215.9671308 157.2876002 168.3340446 210.5171963 153.5042251 159.8335893 134.0928174 158.3106031 182.5502505 148.7197718 265.6194098 212.9622565 221.2679826 187.3419444 136.3610418 217.0251045 146.650617 182.8534798 178.3230498 164.9126884 186.7186296 122.5667046 131.2832087 139.6277913 186.8198732 173.6393618 142.0909777 209.5798815 174.776194 229.4981558 213.4092643 279.5911797 171.7184685 121.3657733 179.0019797 167.1670121 130.2285293 170.4625821 143.5318417 185.8511941 213.0483625 181.0353843 186.4180337 203.9214486 189.6348892 142.9421141 173.5396129 126.6292483 149.5778427 153.5197926 252.4112412 228.9907352 161.5348136 272.9779563 185.5538303 211.0461993 218.3639493 176.5264594 134.3305673 149.2955133 245.0463913 185.0689587 221.4239762 120.1409793 251.0690396 211.8774265 202.705198 227.5922159 172.0613994 120.6895612 142.0890124 161.5773558 142.6686803 206.0465392 171.4478109 173.527022 138.0662083 153.4387357 179.3429688 212.5196923 216.5524626 205.4673918 152.7897922 168.367424 206.2288346 239.0570258 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 1-Methylhistidine 3-Methylhistidine Alanine Arginine Asparagine Aspartic Acid Citrulline Glutamic Acid Glutamine Glycine Histidine Isoleucine Leucine Lysine Methionine Ornithine Phenylalanine Proline Serine Threonine Tryptophan Tyrosine Valine METABOLITES_END #END