metabolite_name ms6104-1 ms6104-2 ms6104-3 ms6104-4 ms6104-5 ms6104-6 ms6104-7 ms6104-8 ms6104-9 ms6104-10 ms6104-11 ms6104-12 ms6104-13 ms6104-14 ms6104-15 ms6104-16 ms6104-17 ms6104-18 ms6104-19 ms6104-20 ms6104-21 ms6104-22 ms6104-23 ms6104-24 Histidine 27.87591044 26.59006541 37.25827707 19.84769148 52.45612322 53.28954704 18.45550936 22.36527874 0.38412414 0.504548003 0.538857902 0.584331508 0.298734358 0.354774891 0.296977552 0.346198807 1.941167093 1.208303427 0.767734464 1.030723292 0.681211338 1.104303018 1.301612519 1.012127351 Hydroxyproline 12.87991936 21.56767982 13.07293438 21.49632203 19.20057627 26.36046111 14.96284547 14.88009064 0.212945308 0.322128106 0.22897177 0.313323063 0.397965594 0.216427618 0.347549048 0.218814005 0.786715294 0.415399195 0.457767818 0.526283746 0.359436699 0.536074308 0.463553461 0.306537244 1-Methylhistidine 74.42811075 73.3571325 109.3855618 152.5641445 137.5480176 116.7257187 97.16900288 69.67045958 0.056329822 0.061965635 0.167671785 0.217511444 0.116183066 0.148965381 0.11438596 0.166018529 0.326769532 0.246683889 0.197761013 0.248588787 0.19310417 0.4628643 0.370791101 0.283648804 3-Methylhistidine 204.4347821 182.7024802 298.7398641 347.2835404 243.6198042 353.2087842 134.3048788 147.3717411 0.192950112 0.218628646 0.318298019 0.20664556 0.125442092 0.220419424 0.311776425 0.249972826 0.304239746 0.147454686 0.149236532 0.308472732 0.313704345 0.462973065 0.51907946 0.262039036 Asparagine 65.79928796 66.07783542 69.16133848 78.45672635 86.52222013 89.08385639 76.50852647 64.50154821 0.865160281 1.444263687 1.071219891 1.259264627 1.299283998 1.264714378 1.35433749 0.937592971 7.85079239 5.466827179 3.827513153 7.329477629 3.871391165 6.392619312 7.252178978 6.176056564 Phosphoethanolamine 15.78479058 24.5935355 23.81652362 25.5332406 43.27397537 32.67753992 29.04083542 21.03282912 5.674554349 9.331891726 7.203106851 9.018919215 11.41441433 7.434253877 8.168778181 9.265486001 8.876494348 8.831967067 8.682888431 13.32944099 8.951065924 10.13613585 13.21606744 14.52494441 Arginine 115.7083263 86.23094338 106.247501 107.9558371 151.8288361 144.3537097 137.8234777 105.4319219 1.283792862 2.048519661 1.474459136 1.607125298 1.467032992 1.763796817 1.536521216 1.167724561 10.0105839 6.418090626 4.495885328 8.554283154 5.493226641 6.086019245 7.803973116 7.285464925 Carnosine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Taurine 9935.261804 9442.794373 9351.29509 12294.77114 11421.43267 11161.98278 12963.46608 10960.23758 20.38915808 24.0632671 19.62186705 23.76563617 35.32687836 23.106976 31.89991795 23.62148645 41.007089 36.89096685 33.45865065 38.24976179 33.75341114 49.81214298 38.91555369 31.75458974 Anserine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Serine 148.9204947 131.2640985 130.9670393 173.0676087 185.0657694 208.1404859 187.0074847 150.6463455 3.374166873 4.894020754 4.093437466 4.416602885 4.870380264 4.612140536 5.439486782 3.869818168 18.7612432 14.14664187 9.385658592 15.92233171 10.4429642 14.93347126 17.95188607 13.82759608 Glutamine 236.5911349 227.2216194 280.3107253 303.607094 357.920963 408.1178556 322.8803741 275.1322177 2.329074879 4.768021606 3.18304929 3.277301252 4.943042739 3.197641792 3.723283647 3.532853279 5.854522024 5.133940924 5.35383496 5.513132416 4.266696922 4.143296866 5.623002825 6.095245481 Ethanolamine 199.7803477 198.6234645 242.9791307 257.9921823 285.1000536 336.0870514 280.0627588 237.5861892 0.334584189 0.54381737 0.485096662 0.488000024 0.654070015 0.518533011 0.486479208 0.409801732 2.909707544 2.281434421 2.004626657 2.650856125 2.140976912 3.575066203 2.82307505 2.207180465 Glycine 418.3993711 372.400384 357.2436912 487.6357292 510.2663161 706.0193543 479.9661099 393.1152489 10.34415759 12.15931483 12.06162022 12.12475064 17.09018737 12.78522292 16.22412593 12.99141783 33.9037315 26.23477879 21.29262627 29.20127635 22.67635396 34.29940807 32.10729053 26.45737204 Aspartic Acid 24.3089791 17.45316366 19.72566781 28.35588636 18.85435545 33.1329594 33.01445535 26.254479 4.824607639 8.737191778 7.162904566 8.763512772 8.917438355 6.756792225 9.264081545 7.068582597 17.26125811 14.92029406 11.51188489 17.92983667 12.26168939 15.67606311 16.77418199 14.30982468 Sarcosine 3.92734828 3.005817294 6.796961977 6.962716657 5.596867963 8.027108232 8.245636411 5.1966851 0.008886387 0.008358754 0.010233789 0.013135166 0.012802233 0.012482109 0.013030491 0.008860676 0.03406406 0.016837458 0.022906095 0.031529755 0.021947635 0.044188586 0.027341695 0.027886574 Citrulline 30.22985775 22.19149474 26.63291765 31.26981372 31.16354632 42.03714894 36.74586939 36.90583849 0.300350584 0.423216929 0.264722829 0.313614829 0.531401636 0.312289279 0.375371694 0.288783785 0.447730355 0.287656801 0.345166841 0.25169428 0.18905428 0.290707395 0.34483001 0.208818475 Glutamic Acid 62.5472487 46.93968532 57.71625292 69.74179038 60.22215576 93.40477275 88.93125673 73.79224638 12.69605864 19.70491399 16.74341053 20.60883014 27.92831573 22.19830743 26.1818261 18.38127952 33.64430326 28.66695029 30.38057104 31.0616043 22.38680269 30.97932005 32.87690546 24.76815632 beta-Alanine 221.2010408 219.0534653 178.5755311 320.5165326 327.8716394 312.3550478 306.5652315 259.6731402 0.141777489 0.208594439 0.189074645 0.207839904 0.345329439 0.170671072 0.240476016 0.147764863 0.567886952 0.344830397 0.321146759 0.313695725 0.264658446 0.468254053 0.374993245 0.311724895 Threonine 381.2309217 332.2120235 365.7755552 376.0855511 458.1023408 420.6998284 465.6937594 312.9718819 2.342053074 3.625653465 2.825296336 3.130621039 3.686829275 3.036961006 4.025907599 2.637004747 10.92194402 7.677374532 5.677968179 9.232063091 5.818961379 7.715706923 10.38155291 7.630642151 Alanine 211.9738953 217.255461 204.3219951 229.8136908 283.3759773 286.1517299 258.4782462 221.5278948 4.153867126 7.09729936 5.577875608 6.247248446 7.91372193 5.918561585 6.656330383 5.005652322 17.32285598 13.37632642 9.917033336 15.44920046 9.922575047 17.1923832 16.44522218 12.99047198 gamma-Amino-N-butyric-acid 47.9199838 44.51486161 47.00178053 60.07713801 68.21430383 75.79723532 62.01504816 47.01741425 0.088407839 0.118002101 0.063308874 0.05133817 0.101875658 0.078333597 0.088156487 0.039551751 0.158096073 0.14404857 0.137452112 0.11687316 0.127817801 0.132954751 0.11804258 0.1128529 alpha-Aminoadipic-acid 1.434394991 1.386884031 1.774532696 1.837579312 1.864666615 1.377526914 1.793816243 1.461653638 0.01691502 0.021847471 0.017886949 0.022454856 0.037638477 0.027365159 0.027826519 0.025857305 0.161529641 0.105120745 0.108835241 0.148059519 0.093068539 0.154416366 0.120738278 0.085221272 beta-Aminoisobutyric-acid 11.0347604 11.43947581 10.16986564 17.3024642 13.6891228 14.97114113 13.7192003 11.48106447 0.001271596 0.000700593 0.001660097 0.001083196 0.000824237 0.001340705 0.001069095 0.000816136 0.006202291 0.00371758 0.002771987 0.003978403 0.00340723 0.00617037 0.004319229 0.002435972 Proline 123.6784804 122.0984531 134.1670609 133.0894669 186.3415947 206.8192586 185.1934171 138.3861164 1.965372202 3.187690725 2.548188263 3.33473567 3.298723395 3.104215865 3.290867675 2.37732973 9.930101974 7.609938521 4.884656152 9.169290936 5.165456958 9.42162974 9.220220697 7.99382885 Hydroxylysine 1 0 0 0 0 0 0 0 0 0.000650025 0.00069722 0.000592084 0.000456741 0.000458814 0.000886099 0.000372603 0 0.006668478 0.006026358 0.002877149 0.006944189 0.005642885 0.005389162 0.006778174 0.006663175 Hydroxylysine 2 0.679045243 0.458774556 0 0 0 0.539785606 0.479554229 0.62624521 0.013963036 0.014675125 0.018475546 0.015019876 0.012719503 0.015344004 0.014078317 0.012911782 0.167198723 0.132356961 0.108297092 0.172656684 0.132188336 0.145857564 0.14849436 0.155360785 alpha-Amino-N-butyric-acid 1.853802085 1.607137621 1.520328886 2.243153088 2.463028748 2.535067632 2.142640958 2.067389328 0.053915536 0.064640109 0.14973326 0.116910246 0.098568377 0.098944227 0.108424248 0.099804398 0.105491033 0.135863044 0.069589194 0.116670903 0.101825252 0.195342882 0.186734263 0.150955165 Ornithine 0.459554302 0.467628202 0.53554618 0.470056964 0.451805618 0.480686257 0.444347708 0.513178689 0.032036413 0.083756015 0.053426565 0.044411407 0.107632725 0.077523115 0.072920927 0.062945134 1.133461905 0.615967759 0.331383575 0.748390795 0.615139641 0.917047677 0.851145065 0.607743439 Cystathionine 1 0.120458652 0.126739371 0.175773045 0.149685452 0 0.130790632 0 0 0.020312538 0.032908311 0.03237859 0.034660121 0.027006636 0.026308794 0.02422722 0.027310215 0.06346558 0.048952331 0.048931304 0.076599637 0.058686162 0.060399746 0.073932773 0.073987548 Cystathionine 2 1.097569343 1.880885221 0.696488929 0.473946981 1.517260662 2.44330893 2.981423654 0.373911429 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lysine 0.530834797 0.651035887 0.500070547 0.553346416 0.698037147 0.670805187 0.495473101 0.452285914 1.555561387 2.755233728 1.841297605 1.849070889 1.935136082 2.478016289 2.567886513 1.771607257 13.10339215 7.731873939 4.697877788 9.418217968 6.064280518 9.60207589 9.650570615 7.102451499 Cystine 4.89689823 6.302812059 5.810393248 5.90917664 5.654545619 7.641741977 4.258058149 5.139815518 1.163047461 2.149687784 2.378574806 2.043178301 2.959382352 1.89479966 2.544159534 1.904960005 9.551233958 6.274750364 5.941709924 7.905485032 5.333319862 7.885827541 8.766761943 5.633430823 Tyrosine 56.84212495 61.87108542 52.61459611 55.7843778 62.79672803 86.72269974 80.97193078 51.87720052 0.70848793 1.120882182 0.940294327 0.920525025 0.910873835 1.019860129 0.877643757 0.644216552 5.415039396 4.23060955 2.648299559 4.835787201 3.242315574 3.870854829 5.118469572 4.236591203 Methionine 158.0726724 238.2851265 101.4441034 107.8981151 253.0933097 344.6153145 457.1812655 73.96924337 0.563413342 0.798110031 0.777018576 0.81068107 0.824367954 0.90414922 0.77895345 0.64015838 4.648076383 3.481633661 2.413943912 4.356485318 2.687639597 4.022111314 4.416845059 3.754501128 Valine 67.68353008 74.4652986 53.19970827 70.30339689 85.3742512 112.6950989 125.0042493 63.29913881 1.209845008 2.060924614 1.680756795 1.521762858 1.817816604 1.742117782 1.667618017 1.116597426 8.625979587 6.914246264 4.266935224 7.71385122 4.631234967 6.337677816 8.234529261 6.829017226 Isoleucine 47.20503502 56.97002536 31.8858863 43.16629858 57.98904082 82.85586822 92.67236911 35.69277802 0.539972749 0.906199578 0.699506066 0.668204529 0.864404059 0.863223553 0.823282003 0.586409152 4.458029268 3.319801156 2.003661633 3.933920385 2.326966501 3.560886388 4.144945372 3.472144205 allo-Isoleucine 7.316773275 1.577271353 3.068713664 4.945850313 1.349076649 4.502519211 11.22791948 8.880914612 0.000589648 0.001306399 0.00081315 0.000666219 0.001130052 0.000698257 0.000565807 0.000749548 0 0 0 0 0 0 0 0 Homocystine 0.217453799 0.037273751 0 0 0.055224858 0 0 0.023806772 0.00142788 0.001620177 0.001522637 0.000895893 0.001234959 0.001544265 0.000251373 0.001145646 0 0 0 0 0.001054333 0 0 0 Leucine 81.10540091 109.0550105 74.09039604 94.30988057 109.4563397 154.688086 147.0601674 80.81468243 1.279719262 2.234737891 1.68618827 1.745653527 2.24745566 2.126212736 2.093235569 1.446362222 12.34387061 9.759721548 6.086403998 11.48918467 7.749665323 11.83210915 11.13744422 9.628014978 Phenylalanine 51.76227294 61.43976923 47.40400881 54.79774034 62.13073162 90.28401576 87.38484955 50.31694832 0.563605063 0.964716022 0.800021927 0.834091672 1.001609222 1.044973466 0.953570127 0.72140611 5.606164787 4.184803619 2.809168442 5.210841242 3.434043074 4.931233782 5.199726366 4.238294741 Tryptophan 18.17682457 21.093162 14.6381803 18.15126767 21.62115242 31.80113968 31.16687709 15.79855233 0.16153452 0.270412708 0.211652364 0.21385988 0.281950438 0.257791882 0.240013486 0.180926789 1.192265345 0.832986549 0.576721694 1.017122854 0.630779673 0.805780967 1.083779333 0.79462868 metabolite_name Histidine Hydroxyproline 1-Methylhistidine 3-Methylhistidine Asparagine Phosphoethanolamine Arginine Carnosine Taurine Anserine Serine Glutamine Ethanolamine Glycine Aspartic Acid Sarcosine Citrulline Glutamic Acid beta-Alanine Threonine Alanine gamma-Amino-N-butyric-acid alpha-Aminoadipic-acid beta-Aminoisobutyric-acid Proline Hydroxylysine 1 Hydroxylysine 2 alpha-Amino-N-butyric-acid Ornithine Cystathionine 1 Cystathionine 2 Lysine Cystine Tyrosine Methionine Valine Isoleucine allo-Isoleucine Homocystine Leucine Phenylalanine Tryptophan