metabolite_name 3609 3608 5050 5057 8678 8680 10188 10184 10506 10512 10524 10526 18476 18473 19051 19053 19205 19204 19338 19337 21274 21275 22346 22343 22693 22694 23979 23977 31703 31708 32567 32564 32595 32594 32871 32870 36673 36668 36916 36914 37654 37653 37687 37689 37976 37977 42957 42955 43779 43782 47605 47603 50742 50739 52012 52014 53131 53132 53247 53248 53983 53984 54182 54184 59701 59703 17626 17627 17637 17643 19567 19564 23868 23870 24070 24068 39907 25794 25793 25922 25923 25945 25944 26084 26163 26166 31630 36357 39117 39116 36361 39910 Pyruvate -3.85130437 -4.381366845 -4.023424197 -4.074774903 -4.175160293 -4.112105499 -5.79190998 -5.630924789 -5.685747645 -5.316449804 -4.100908422 -4.123342009 -4.928977289 -4.92483915 -4.590301394 -4.508562919 -5.066436139 -5.688841099 -4.575169827 -4.679464665 -4.335497701 -5.002858687 -4.976251728 -5.031763324 -4.635354777 -5.045451861 -4.78014752 -5.010900864 -4.851813261 -6.327929729 -4.583702137 -4.820264262 -5.041303676 -4.444855836 -2.47953823 -2.743138785 -4.633366302 -4.365825674 -3.010096248 -2.408614603 -3.193993962 -2.61107587 -2.646069642 -2.631487971 -2.667071189 -2.715725831 -3.644161385 -3.269742219 -4.261583866 -2.122017324 -4.233431733 -4.109046521 -2.902684598 -3.81185132 -2.492139186 -2.283265174 -4.084607133 -3.007932429 -3.52366327 -3.344230983 -4.330746268 -4.201942208 -3.930141828 -3.778663923 -2.897879887 -3.560792453 -2.494766914 -2.336215481 -4.41961822 -4.57659614 -3.908844355 -3.7698103 -2.471991701 -2.611817365 -2.548131267 -3.253475691 -3.425158132 -3.353269908 -2.612483197 -2.325613413 -3.84273833 -3.947210115 -1.477565561 -3.471598375 -4.107200751 -4.716985402 -2.189554026 -1.009019025 -4.580025943 -4.947264963 -4.588384653 -5.291908798 Ribose -4.723543523 -5.066387626 -4.668883589 -4.394906355 -4.28583079 -4.163740631 -5.09172519 -5.534310546 -6.58387283 -7.09053582 -4.419429333 -4.613666014 -6.972963917 -7.768828147 -7.029318961 -6.941730525 -7.282389279 -7.028920664 -4.611316709 -4.895018904 -5.601361363 -5.44336857 -6.081280738 -6.523231208 -6.242127859 -4.387976677 -6.630235523 -6.678505299 -7.302033164 -7.473343859 -6.820928377 -7.357768755 -6.348393021 -5.31307864 -7.351092481 -6.868910225 -6.22117375 -5.833724927 -6.028927368 -6.090379623 -6.198323575 -6.657270323 -7.894603822 -3.110390577 -6.551968948 -6.977253323 -7.713784784 -6.501980687 -8.05541567 -5.638097061 -4.948665534 -4.368372159 -6.693453702 -7.735277507 -5.740072928 -6.643355707 -7.752941296 -6.081246199 -4.330490072 -4.303836009 -6.490197301 -6.47292991 -4.882552189 -6.342327748 -4.537370202 -5.81624715 -5.329720931 -5.016718404 -5.672535712 -5.865667233 -5.360654258 -6.113056159 -7.043747335 -6.541052635 -6.231923027 -6.537265186 -7.703433563 -6.497907606 -6.401826467 -5.352938681 -6.394473076 -7.083549702 -4.830947263 -6.967246506 -7.673009005 -4.404197388 -6.999866335 -5.29827355 -6.854180508 -6.283547879 -4.354622425 -4.755541688 Citrate 0.660484984 -2.302935871 -0.555718184 2.518593159 -1.193237181 1.811623732 -1.689107808 1.84789506 -1.824844938 1.46055383 -0.027959834 2.211026663 3.367521801 -2.642320953 0.250562379 3.895412119 1.091959682 4.10149728 2.022852481 2.254052059 1.300543083 2.161689752 3.89778357 -2.399379741 0.849279812 -1.772670703 4.12116674 4.135166414 3.10937876 5.187571873 4.483638918 3.414405 5.510680097 5.676331668 6.257734688 4.364544431 4.539321805 6.677269281 7.99387976 7.329071446 7.076079345 1.28140826 7.526053408 3.82386805 6.103284811 5.672163858 7.610541381 5.184847411 6.793796601 6.397886307 2.662715863 3.726591425 5.944888186 8.073982869 7.912235345 6.929396229 7.068364062 7.036020145 5.940891655 5.224601035 5.787270135 4.657958161 2.082049195 1.579304637 7.835143705 8.602316152 6.699526729 7.058326397 4.026933966 4.513720356 5.371607201 5.627045381 4.159866037 4.857942176 6.887393001 7.132117066 4.994532655 7.248485028 7.480074898 8.272787727 7.805575255 5.437546274 6.91045256 6.242223935 2.725099731 2.196131676 7.777763989 9.907954686 1.351311298 1.524176364 2.255779154 1.164501539 Carbamoyl phosphate 1.684289016 1.292163989 -5.279577504 -4.881092141 -0.193489038 1.226149665 0.077796409 0.700286821 1.742238698 0.730223547 0.785955968 0.778903399 0.222380559 -0.420417717 0.145534659 -3.157330298 1.81068331 1.098989801 1.776997909 1.812448165 1.126242601 1.381835538 0.822187239 1.219567045 1.699717924 0.69601264 0.948153325 0.194218352 1.149400246 -0.979808689 -2.438727114 0.301465133 1.086562355 1.726002839 1.528780641 1.566352972 0.737714751 1.780439666 2.044991833 2.184435573 1.19669834 1.394677777 1.410501855 -5.133576635 2.069314928 2.23701822 -2.130216876 2.401703873 -0.021517514 -1.483244609 1.753493012 1.289034172 2.146825754 -0.66333395 1.064389336 2.312919958 1.16691068 3.729744925 1.659197083 1.859907704 2.11491069 2.083508469 2.182343156 2.369913302 -1.438293202 0.595323822 -1.07328212 -2.831774243 -5.676799025 -4.299262803 -3.854844662 -1.800922567 2.012413755 2.099919521 -0.603169657 2.254046074 2.309830926 2.607132571 1.781870897 2.484481431 2.391048252 0.686519132 2.192643676 2.458156862 1.750065841 1.445381223 0.792943144 4.14729218 -4.09154081 -2.51749178 2.040636321 1.093480652 D-Gluconic acid 4.975905928 4.545290311 2.051139841 2.925608839 0.61687506 0.954133505 -0.928219691 -1.057329008 1.298816142 0.314799255 2.628145674 1.294990161 0.186435826 -0.366495514 -0.821476902 0.1957497 -0.671609665 -0.357575531 -0.670315391 -1.039596749 -0.795544336 -1.755233764 -0.159892785 -0.450106833 -0.204278607 -0.133925142 -0.428796597 -0.246410732 -0.443243628 -1.511548702 0.595122411 -0.400670462 3.931280422 4.274751588 3.17735099 3.238276841 0.035964527 0.017380511 2.689466361 2.940093529 -0.279532489 -0.072938738 -0.813643992 1.305785289 -0.125268747 -0.326592317 -4.02253093 0.55359836 -0.162584168 1.10063228 0.28953282 0.734105549 -0.446268733 0.339408664 0.027692072 0.117510719 2.968734924 3.405957531 4.51379698 4.697074558 -1.39747522 -0.790335974 4.409389692 3.685708623 1.587345136 0.198655866 0.197268576 -0.225830053 1.021661616 1.431243151 1.149250318 0.72420806 -0.179963516 -0.757122504 1.102268591 0.206979382 -0.560856033 -1.063424328 -0.286286593 0.303447062 -0.938837563 0.493801358 2.419251343 -0.358636731 -0.057372277 0.549234213 1.314058345 0.530308818 -0.348955847 -0.309528091 -0.2406733 -0.52534352 Glucose 0.382734336 0.018519743 0.424790427 0.331924607 0.14784879 0.182776429 -1.433434063 -1.386866045 -1.417484686 -1.02860506 0.121356754 0.183043833 -0.806258663 -0.892306045 -0.57557976 -0.401036413 -0.877830775 -1.544994671 -0.409502582 -0.407366064 -0.143177775 -0.844871362 -0.982520371 -1.109660307 -0.420405502 -1.099561157 -0.652175394 -0.932172526 -0.645554359 -2.305418797 -0.4133513 -0.635868619 -0.825058373 -0.517054127 1.794193296 1.649767027 -0.399971816 -0.261866945 1.14473874 1.916037274 1.123471405 1.747047748 1.704302747 1.625477854 1.64596505 1.546774644 0.180707952 1.049228526 -0.005399174 2.342515077 0.113110257 0.310535286 1.534085594 0.438692747 1.765752212 2.093090743 0.337702283 1.358810595 0.89859719 1.067045854 -0.01039326 0.124148146 0.453271849 0.612777166 1.070882601 -3.003533051 1.833295226 2.079733434 -0.477436595 -0.355777582 0.443440644 0.545732409 1.812934064 1.536816825 1.793709213 1.131254077 0.731448428 1.08184735 1.686535554 2.014407149 0.622584251 0.472376742 2.625141072 0.706626718 0.202427553 -0.254482792 2.047353526 3.494511295 -0.044777507 -0.481311013 -0.383398194 -0.977370201 Geranyl diphosphate 0.320346178 0.3926071 0.660393377 1.283850161 -0.612488163 -0.260025462 0.128421698 0.202851583 0.22651747 0.644691991 1.560141324 -0.626813885 3.392185587 3.476301911 2.430351485 3.214701589 2.240705204 2.051503232 -0.099999134 0.16676412 0.419933655 0.297513531 3.011730063 3.37511725 2.316085391 1.76327285 3.288639485 3.099177211 2.45273378 2.078089057 3.152468074 2.33591653 3.352770898 3.223694467 3.7941117 4.000300995 2.422160365 2.360246921 3.404781949 3.484728874 2.530111859 3.051177771 3.156102429 3.440515898 3.315949381 3.744789815 4.364098792 4.402757889 2.946175607 3.987142787 3.130391129 3.090015971 2.989566798 1.771490233 3.364145771 4.092176538 3.566544643 5.125121601 3.851619419 4.13320064 2.953938965 3.116439886 3.688639783 3.99242373 4.346716869 4.340610491 4.15333879 4.015501776 2.404325053 3.242582923 3.156346799 4.076149339 3.267920478 2.882250347 3.304003349 2.529292555 3.928951553 4.112346928 4.010360059 3.541601813 3.360891184 3.31701445 5.663016891 4.352001804 3.980651826 4.861759537 3.453045917 5.267575745 1.272407471 -0.154089476 -0.006663161 -0.42647096 Mannose -2.21745568 -3.429821281 -0.896892448 -0.745545415 -1.921727496 -2.632671817 -4.372827058 -5.955036176 -4.35002038 -3.603239976 -3.483429827 -2.088228799 -4.703568362 -3.712761319 -4.171068002 -4.113048812 -3.328044442 -4.73109105 -3.515931243 -3.605779828 -2.674031068 -3.882682444 -3.151146601 -5.421825641 -3.700149417 -2.440533096 -2.044212447 -3.256451932 -4.612369465 -4.163438086 -3.848630269 -3.519737444 -2.883287144 -1.411090085 -1.42656024 -1.898177918 -1.103476109 -1.221589415 -2.261279492 -1.561394789 -2.24642178 -1.747118238 -1.754900824 -1.626857486 -1.683222894 -5.903397844 -1.325819747 -2.105659654 -3.391865925 -1.007448063 -4.620471029 -4.471490851 -1.914494967 -2.446523626 -1.527785864 -1.06245023 -2.918610886 -1.845062132 -2.41648286 -2.266471222 -4.261137925 -3.439825182 -2.878397568 -2.708790597 -2.018004956 -2.623419499 -1.554504242 -1.298236623 -2.293690332 -1.400439905 -2.624495244 -2.465579156 -1.683568294 -1.758546287 -1.670716617 -2.327679281 -2.413663865 -2.198930096 -1.778657804 -1.083541124 -2.750972923 -2.879281151 -0.531163423 -2.491707058 -4.142192281 -6.104552774 -1.284543717 -0.021929279 -2.051949437 -2.655952635 -3.187433651 -4.064538482 N-acetyl serine -3.468295974 -4.018662816 0.047505114 -0.194680992 -3.779159306 -3.443967636 -3.858820435 -3.297199688 -3.979528031 -5.241759525 -3.646328521 -3.36433936 -5.705728655 -5.825010512 -5.980593631 -5.220157668 -6.105035078 -5.863382421 -3.870478035 -3.898367608 -4.30623077 -4.158441361 -5.156515851 -5.557252019 -4.431874665 -5.067340295 -5.689261915 -5.930991108 -6.143001801 -6.739565439 -5.474272934 -6.206749803 -5.452624451 -2.734286312 -4.775228165 -5.642623046 -4.85141659 -4.451027506 -5.355565091 -4.876443473 -6.228774685 -5.574848761 -4.269351812 -3.131293132 -4.927371536 -5.540091768 -6.282715133 -5.352378753 -4.725224958 -2.439852268 -4.704693818 -4.440206459 -4.628868637 -6.100901003 -5.413089317 -4.812714538 -5.783127084 -4.479704522 -5.393461908 -5.69331725 -5.328725804 -5.443162711 -5.318383305 -5.199416355 -5.223822389 -5.699748841 -2.66579023 -2.961020621 -3.119449459 -2.213867436 -3.954601767 -3.098345287 -5.488823088 -5.649595388 -5.422495467 -4.625911132 -5.855665955 -4.572834425 -5.057459044 -4.900704416 -5.747534795 -5.650409911 -4.066953898 -4.934219825 -5.366755441 -4.943764405 -5.386035571 -3.225328579 -3.057202584 -2.964111872 -2.981774787 -3.829030339 Methylmalonic acid -1.366319849 -1.900544931 -5.50578795 -4.59849883 -2.145540484 -1.758231375 -4.4845888 -3.690884583 -2.933510796 -3.497715254 -2.184172669 -2.052232663 -2.307101039 -2.804010023 -3.620617996 -2.080819283 -3.218829169 -2.470141466 -2.746794082 -3.382157289 -2.66498071 -2.958126233 -2.428709565 -2.597488812 -2.072413377 -3.29301487 -3.967243416 -2.910246817 -2.40297289 -3.959804364 -1.781355813 -2.798420733 -3.942007156 -2.564087016 -1.632185862 -3.131054305 -4.352498616 -3.036278301 -3.62055904 -2.582597577 -3.733253711 -3.684525686 -2.784910653 -6.510654626 -2.107031092 -2.723647689 -2.903837917 -2.487294794 -5.896433387 -5.549258882 -2.199941833 -1.985614127 -2.567034814 -5.032640526 -3.243486119 -1.811263647 -2.776396627 -2.372380899 -3.198188038 -1.991065308 -3.480400774 -3.009295678 -2.506684237 -1.363902948 -1.577959059 -2.557087015 -3.064097663 -8.300678048 -5.553158474 -6.704001648 -5.667490409 -5.628827296 -2.347985984 -2.869682568 -2.482039524 -2.367041255 -3.405464455 -3.324789806 -1.714860497 -2.433700715 -3.546409346 -2.527227359 -0.331456379 -2.104350513 -3.488383296 -2.849902423 -2.130614439 -0.88633538 -5.299509763 -6.611132463 -2.620045538 -1.886150016 Hydroxy glutarate -1.052202485 -1.07200412 -0.420212018 -0.133713035 -2.037536902 -1.097219145 -1.975133015 -1.186372541 -1.078990103 -1.390944732 -1.856719551 -1.005775394 -1.525233594 -1.796056994 -2.041553754 -1.141737702 -1.720306632 -1.663726551 -1.152950128 -1.309393377 -1.716623723 -1.440407522 -1.817455593 -1.66897279 -1.01966082 -1.673366945 -1.492801495 -1.911944486 -1.349569683 -3.009186848 -1.107558035 -1.801111756 -1.629600814 -0.465006997 -0.980380355 -1.170081997 -1.728039511 -1.209597637 -1.098022191 -0.890399255 -1.933297388 -1.663063532 -0.798584967 -0.568087904 -1.00312562 -1.027928422 -2.831549124 -1.088628069 -1.558831634 0.222427605 -1.803858759 -1.713169931 -0.38680828 -2.464893592 -1.624726781 -0.571991397 -1.785343757 0.169111433 -1.438435658 -1.557798133 -1.45534027 -1.740191884 -1.315620119 -0.796522085 -1.627594324 -1.553324556 0.166168772 -0.269706689 -0.656385446 -0.303683473 -0.908482478 0.086263124 -0.570979301 -0.781877168 -0.954423009 -0.66195881 -1.355038398 -0.5845732 -0.717582888 -1.067401317 -1.506194661 -2.060565514 -0.112400821 -1.246992227 -0.812314194 -0.515762261 -1.286087838 0.808206599 -0.554626611 -0.863429024 -1.447935073 -1.147990079 Shikimate-3-phosphate 0.414977424 0.45884457 0.724553405 1.480001764 0.469566984 0.522376863 0.565085564 0.092588544 0.985595899 0.696759501 1.648055156 0.603596126 3.17901936 3.32488014 2.416748465 3.089508368 2.473535743 1.759939673 0.255476936 0.292954897 -0.03912917 0.138386486 2.851827345 3.446864103 2.161090202 1.50674047 3.277149897 2.973676045 2.245057273 1.874259774 2.729957952 1.957101448 3.283750934 3.013123683 2.816003073 3.039969864 2.349691569 2.114515801 2.450441139 2.483225129 1.882976103 2.303498303 2.401859836 2.606543699 2.817887522 2.530380214 3.26036973 3.528348548 2.041636984 3.297448952 2.940924509 2.902548211 1.998806779 1.159908795 2.363587894 3.061987145 2.505586022 4.242820929 2.916290199 3.026360623 2.50809385 2.727147437 3.315541946 3.524533546 3.348629164 3.515775657 3.257370899 3.062471794 2.042947413 2.862781367 2.703140583 3.546695873 2.467287609 2.123892388 2.392420807 1.788451366 3.01135434 3.252271493 3.029447993 2.622906287 2.587955322 2.603730394 4.714388643 3.41851435 3.41707448 4.054980816 2.35596234 4.240761403 0.80158262 0.600899084 0.452311842 0.386634564 Dihomo-gamma-linolenic acid 4.338447944 3.712005205 3.262723619 3.355298066 3.712602535 3.951270653 4.14002168 3.436851107 3.517679683 2.656825559 3.313759498 4.075514946 2.459247689 2.930261855 3.293237026 2.569657335 2.783387242 2.348749166 3.4430031 3.448596814 3.067035606 3.118336956 2.729696612 1.930461827 3.121318764 2.908843713 3.246906273 3.439636726 3.016771806 3.148130422 2.670944817 2.877903806 2.830301104 3.163766092 3.585754096 3.275046439 2.432754542 2.660742597 3.08232389 3.376599308 3.676872276 3.674272477 3.378583033 3.178274012 3.781325245 3.672459721 5.069292388 4.044711657 2.113925415 3.313676608 3.565710657 3.559780077 3.382013416 2.503015027 4.252714858 3.44856216 2.729843732 3.96471146 4.109350799 3.965515382 3.860839664 3.716452902 3.579549619 3.162348954 4.606743173 4.549866713 3.391409145 3.656047769 2.726563264 2.680906929 3.374590193 3.223058375 3.760231889 3.978692663 3.403565632 3.680148516 3.578388537 3.84267306 3.762569474 3.92866453 3.90291503 3.592809745 5.527291581 3.761304285 3.839443716 3.267477152 3.819926359 4.899947872 2.939160428 2.227122712 3.960643875 3.105752707 Fructose 0.382734336 0.018519743 0.424790427 0.331924607 0.14784879 0.182776429 -1.433434063 -1.386866045 -1.417484686 -1.02860506 0.121356754 0.183043833 -0.806258663 -0.892306045 -0.57557976 -0.401036413 -0.877830775 -1.544994671 -0.409502582 -0.407366064 -0.143177775 -0.844871362 -0.982520371 -1.109660307 -0.420405502 -1.099561157 -0.652175394 -0.932172526 -0.645554359 -2.305418797 -0.4133513 -0.635868619 -0.825058373 -0.517054127 1.794193296 1.649767027 -0.399971816 -0.261866945 1.14473874 1.916037274 1.123471405 1.747047748 1.704302747 1.625477854 1.64596505 1.546774644 0.180707952 1.049228526 -0.005399174 2.342515077 0.113110257 0.310535286 1.534085594 0.438692747 1.765752212 2.093090743 0.337702283 1.358810595 0.89859719 1.067045854 -0.01039326 0.124148146 0.453271849 0.612777166 1.070882601 -3.003533051 1.833295226 2.079733434 -0.477436595 -0.355777582 0.443440644 0.545732409 1.812934064 1.536816825 1.793709213 1.131254077 0.731448428 1.08184735 1.686535554 2.014407149 0.622584251 0.472376742 2.625141072 0.706626718 0.202427553 -0.254482792 2.047353526 3.494511295 -0.044777507 -0.481311013 -0.383398194 -0.977370201 metabolite_name Kegg ID Retention Time(min) Precursor Ion Product Ions Polarity Pyruvate C00022 3.2 87 43/41 Negative Ribose C00121 5 149 65/59.1 Negative Citrate C00158 14.3 191.05 111/87 Negative Carbamoyl phosphate C00169 10.3 140 79 Negative D-Gluconic acid C00257 5.9 195.1 129.1/75.1 Negative Glucose C00267 3.2 179 59 Negative Geranyl diphosphate C00341 14.8 312.8 78.7/155.7 Negative Mannose C00936 3 179.1 89.1/71.1 Negative N-acetyl serine C00979 5.6 146 98/84.1 Negative Methylmalonic acid C02170 14 117.002 73.1 Negative Hydroxy glutarate C02630 6.1 147 129.1/101.1 Negative Shikimate-3-phosphate C03175 14.2 253.1 97 Negative Dihomo-gamma-linolenic acid C03242 3.2 305.2 59.1 Negative Fructose C10906 3.2 179 59 Negative