Spreadsheet: 7e85070b-847d-4ea7-b3c3-f9c9534a8eb6
Sheet: CDT Pathway Heat Map

 | Oregon State University                                  ORUN-01-11VW+ Metabolomic Effects of Dietary Fat Intake in Mice Liver Tissue
 | Heat map of statistically significant biochemicals profiled in this study. Shaded cells indicate p≤0.05 (red indicates that the mean values are significantly higher for that comparison; green values significantly lower). Blue-bolded text indicates 0.05<[NAME]. |  |  |  |  |  |  |  |  | Fold of Change |  |  |  |  |  |  |  |  |  |  | Statistical Values
 |  |  |  |  |  |  |  |  |  | Welch's Two Sample t-Tests |  |  |  |  |  |  |  |  |  |  | Welch's Two Sample t-Tests |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | Mean Values |  |  |  |  |  | % Filled Values
 | [NAME] | SUPER PATHWAY | SUB PATHWAY | BIOCHEMICAL NAME | PLATFORM | COMP ID | [NAME] | HMDB |  | WD + Olive Oil Chow | WD + EPA Chow | WD + DHA Chow | WD + EPA + DHA Chow | WD + EPA WD + Olive Oil | WD + DHA WD + Olive Oil | WD + EPA + DHA WD + Olive Oil | WD + DHA WD + EPA | WD + EPA + DHA WD + EPA | WD + EPA + DHA WD + DHA |  | WD + Olive Oil/Chow |  | WD + EPA/Chow |  | WD + DHA/Chow |  | WD + EPA + DHA/Chow |  | WD + EPA/WD + Olive Oil |  | WD + DHA/WD + Olive Oil |  | WD + EPA + DHA/WD + Olive Oil |  | WD + DHA/WD + EPA |  | WD + EPA + DHA/WD + EPA |  | WD + EPA + DHA/WD + DHA |  |  | Chow | WD + Olive Oil | WD + EPA | WD + DHA | WD + EPA + DHA |  | Chow | WD + Olive Oil | WD + EPA | WD + DHA | WD + EPA + DHA |  | SUPER PATHWAY | SUB PATHWAY | CAS | RI | MASS
 |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  |  | P-VALUE | Q-VALUE | P-VALUE | Q-VALUE | P-VALUE | Q-VALUE | P-VALUE | Q-VALUE | P-VALUE | Q-VALUE | P-VALUE | Q-VALUE | P-VALUE | Q-VALUE | P-VALUE | Q-VALUE | P-VALUE | Q-VALUE | P-VALUE | Q-VALUE
 | 1 | Amino acid | Glycine, serine and threonine metabolism | glycine | GC/MS | 11777 | C00037 | HMDB00123 |  | 0.57 | 0.55 | 0.59 | 0.51 | 0.96 | 1.03 | 0.89 | 1.07 | 0.93 | 0.87 |  | < 0.001 | 3.582478246e-06 | < 0.001 | 6.0742598e-07 | < 0.001 | 2.9979859661e-05 | < 0.001 | 4.722155761e-06 | 0.597908770661329 | 0.467685827547185 | 0.749251975949308 | 0.345882310708445 | 0.140477544764347 | 0.125345213490406 | 0.411926766603731 | 0.649357456979554 | 0.255588909048148 | 0.727049392990026 | 0.097634718797817 | 0.601914579254405 |  | 1.748837 | 0.9944795 | 0.9571136 | 1.023244 | 0.8865129 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glycine, serine and threonine metabolism | 56-40-6; | 1166 | 101.9
 | 3 |  |  | dimethylglycine | GC/MS | 5086 | C01026 | HMDB00092 |  | 2.45 | 2.09 | 2.04 | 1.95 | 0.85 | 0.83 | 0.79 | 0.98 | 0.93 | 0.95 |  | < 0.001 | 5.7537874704e-05 | < 0.001 | 0.000205591861613 | 0.001487823809039 | 0.001800286549633 | 0.014920809098267 | 0.009256836534587 | 0.238194494195922 | 0.2774195885481 | 0.216826546075173 | 0.152653427842186 | 0.182557140473975 | 0.147620846131836 | 0.675973272191894 | 0.771306861491745 | 0.476365256851101 | 0.809931988517749 | 0.727870036359242 | 0.7367321552407 |  | 0.5147606 | 1.26306 | 1.076712 | 1.050996 | 1.001404 |  | 87.5 | 100 | 100 | 100 | 100 |  | Amino acid | Glycine, serine and threonine metabolism | 1118-68-9; | 1030 | 57.9
 | 4 |  |  | N-acetylglycine | GC/MS | 27710 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00532 |  | 0.49 | 0.54 | 0.51 | 0.51 | 1.1 | 1.05 | 1.05 | 0.95 | 0.95 | 1 |  | 0.004782048856013 | 0.003437610403047 | 0.007708618889207 | 0.005237748031307 | 0.004327428065554 | 0.004150977253121 | 0.005899222712275 | 0.004558269699339 | 0.541778893856288 | 0.44477548399843 | 0.676029877951855 | 0.325649001542894 | 0.765197488742031 | 0.38824172159638 | 0.808396307065566 | 0.799404399085483 | 0.748691932867984 | 0.896729488656959 | 0.917020425866475 | 0.801194283245303 |  | 1.749879 | 0.8555726 | 0.93835 | 0.8951991 | 0.8953756 |  | 100 | 62.5 | 87.5 | 100 | 87.5 |  | Amino acid | Glycine, serine and threonine metabolism | 543-24-8; | 1396.4 | 143.9
 | 8 |  |  | serine | GC/MS | 1648 | C00065 | HMDB03406 |  | 0.8 | 0.72 | 0.75 | 0.67 | 0.91 | 0.95 | 0.84 | 1.04 | 0.92 | 0.88 |  | 0.004431625733942 | 0.003247419629139 | < 0.001 | 0.000260204866455 | < 0.001 | 0.001083920601125 | < 0.001 | 8.6486536024e-05 | 0.234355109733752 | 0.275991975889758 | 0.510408107900327 | 0.267940577666788 | 0.041973409567048 | 0.054485470023926 | 0.585065891026508 | 0.753968598043561 | 0.291362710266598 | 0.747154107377373 | 0.132198897139142 | 0.601914579254405 |  | 1.318411 | 1.050451 | 0.9516367 | 0.9937777 | 0.8791733 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glycine, serine and threonine metabolism | 56-45-1; | 1389.1 | 204
 | 10 |  |  | N-acetylserine | LC/MS pos | 37076 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB02931 |  | 0.97 | 0.94 | 0.8 | 0.73 | 0.96 | 0.82 | 0.75 | 0.86 | 0.78 | 0.91 |  | 0.654368678586143 | 0.177639621478562 | 0.339704748606376 | 0.106305484131921 | 0.026896565878324 | 0.015862367157081 | < 0.001 | 0.001119190260789 | 0.820974215060148 | 0.567856168477568 | 0.119871875846251 | 0.101340548799041 | 0.018869631693138 | 0.030098989902801 | 0.094328147225433 | 0.375000347524276 | 0.005092021976695 | 0.30418057466477 | 0.40905349041891 | 0.667746696699377 |  | 1.149637 | 1.117244 | 1.075734 | 0.9212442 | 0.8384712 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glycine, serine and threonine metabolism | 97-14-3; | 1012 | 148
 | 17 |  |  | threonine | LC/MS pos | 1284 | C00188 | HMDB00167 |  | 0.91 | 0.78 | 0.8 | 0.69 | 0.86 | 0.88 | 0.76 | 1.02 | 0.88 | 0.86 |  | 0.114017157705626 | 0.043794652083152 | < 0.001 | 0.000973185887364 | 0.005634752689909 | 0.004957532324714 | < 0.001 | 0.000216163660055 | 0.058246949871152 | 0.098551593411118 | 0.130900626951034 | 0.108599194474041 | 0.00271271883216 | 0.007062119646096 | 0.808390011422732 | 0.799404399085483 | 0.085360159697903 | 0.52310575172737 | 0.077873334948677 | 0.601914579254405 |  | 1.214063 | 1.102194 | 0.9520057 | 0.9746356 | 0.8333674 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glycine, serine and threonine metabolism | 72-19-5; | 713 | 120.1
 | 22 |  |  | betaine | LC/MS pos | 3141 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00043 |  | 1.18 | 1.23 | 1.15 | 1.15 | 1.04 | 0.97 | 0.97 | 0.94 | 0.94 | 1 |  | 0.295242305485305 | 0.093572499734292 | 0.011636374905824 | 0.007414929025223 | 0.031916458335418 | 0.018007778051391 | 0.260437362653025 | 0.096504160135174 | 0.573727423607666 | 0.456322936738162 | 0.928611624499653 | 0.392933430643586 | 0.930222240880972 | 0.435009488303906 | 0.259995614209994 | 0.542389013355145 | 0.428045503442203 | 0.779495724687071 | 0.806716000711652 | 0.766820323277206 |  | 0.852635 | 1.010243 | 1.048838 | 0.9813287 | 0.9838272 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glycine, serine and threonine metabolism | 107-43-7; | 721 | 118.2
 | 23 |  |  | [NAME] | LC/MS pos | 15499 | C00576 | HMDB01252 |  | 0.71 | 0.76 | 0.63 | 0.58 | 1.08 | 0.89 | 0.82 | 0.82 | 0.76 | 0.93 |  | 0.063679698531172 | 0.027313378379406 | 0.006375309699955 | 0.004612102682101 | 0.005598040881245 | 0.004957532324714 | 0.006287216036442 | 0.004750707591531 | 0.445600443377942 | 0.395627483239705 | 0.761550600244353 | 0.34905591050196 | 0.536018986494901 | 0.317635457428718 | 0.133659775769623 | 0.429067954172925 | 0.087433634220924 | 0.52310575172737 | 0.680402533216709 | 0.729165073473675 |  | 1.276604 | 0.9027488 | 0.9724538 | 0.7997175 | 0.7436156 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glycine, serine and threonine metabolism | 7758-31-8; | 639 | 120.2
 | 24 |  | Alanine and aspartate metabolism | aspartate | GC/MS | 15996 | C00049 | HMDB00191 |  | 0.77 | 0.76 | 0.78 | 0.6 | 0.99 | 1.01 | 0.79 | 1.02 | 0.79 | 0.78 |  | 0.052651632465302 | 0.023524209065531 | 0.025614496757786 | 0.0135892184536 | 0.042960817429624 | 0.023015444487536 | < 0.001 | 0.00078175999865 | 0.91272317755497 | 0.601129873963422 | 0.810918955998443 | 0.358621066069383 | 0.078771475922554 | 0.08735565846623 | 0.854210266292531 | 0.799475044382777 | 0.021253487868405 | 0.422795336908257 | 0.021760858314444 | 0.534064839509611 |  | 1.336824 | 1.026991 | 1.016843 | 1.038693 | 0.8074269 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Alanine and aspartate metabolism | 56-84-8; | 1529.7 | 232
 | 25 |  |  | asparagine | LC/MS pos | 512 | C00152 | HMDB00168 |  | 1.06 | 0.9 | 0.88 | 0.81 | 0.85 | 0.83 | 0.77 | 0.98 | 0.9 | 0.92 |  | 0.344961927107799 | 0.106342816097334 | 0.126644563410051 | 0.049920457800229 | 0.089722380718934 | 0.039478280407807 | 0.008210121261674 | 0.005817960309824 | 0.014140171932319 | 0.040677538142233 | 0.013728262749327 | 0.022060207056598 | < 0.001 | 0.002675356688947 | 0.716805114183977 | 0.779547983362194 | 0.14129422529972 | 0.562696689647544 | 0.308459325286355 | 0.641760721737393 |  | 1.093058 | 1.154241 | 0.9835264 | 0.9613914 | 0.887581 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Alanine and aspartate metabolism | 70-47-3; | 669 | 133.1
 | 26 |  |  | beta-alanine | GC/MS | 55 | C00099 | HMDB00056 |  | 0.8 | 0.82 | 0.93 | 0.88 | 1.03 | 1.16 | 1.1 | 1.13 | 1.07 | 0.95 |  | 0.080877596206618 | 0.033037970290773 | 0.161138765977407 | 0.060052721787749 | 0.507646818466767 | 0.162309997182175 | 0.352827001420228 | 0.122163990259176 | 0.970959203236838 | 0.611436707230751 | 0.561417419112992 | 0.287145902545355 | 0.626491961958524 | 0.354875324815689 | 0.621234605273328 | 0.765243939904661 | 0.696564601218488 | 0.885311757309551 | 0.886353542718309 | 0.790619240461757 |  | 1.133636 | 0.9103968 | 0.9335023 | 1.053646 | 1.002773 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Alanine and aspartate metabolism | 56-41-7;107-95-9; | 1451.8 | 174
 | 27 |  |  | alanine | GC/MS | 1126 | C00041 | HMDB00161 |  | 0.7 | 0.62 | 0.63 | 0.6 | 0.89 | 0.91 | 0.86 | 1.02 | 0.96 | 0.94 |  | < 0.001 | 2.6591059358e-05 | < 0.001 | 7.7839001756e-05 | < 0.001 | 1.0241710439e-05 | < 0.001 | 4.722155761e-06 | 0.113886429947615 | 0.163250309795048 | 0.109634792734315 | 0.095367046166415 | 0.018592994074993 | 0.030069637488279 | 0.75767025555588 | 0.786583014371277 | 0.636125883840317 | 0.863866642340944 | 0.343766966261332 | 0.64753662645539 |  | 1.522754 | 1.066387 | 0.950268 | 0.9661139 | 0.9125826 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Alanine and aspartate metabolism | 56-41-7; | 1147.6 | 115.9
 | 27.1 |  |  | N-acetylalanine | LC/MS neg | 1585 | C02847 | HMDB00766 |  | 1.15 | 1.1 | 0.92 | 0.91 | 0.95 | 0.8 | 0.79 | 0.84 | 0.83 | 1 |  | 0.191634815567047 | 0.066109102074676 | 0.332491333315447 | 0.104598383108959 | 0.569549917876887 | 0.177650895714885 | 0.544716263501496 | 0.167754276512417 | 0.624250066330696 | 0.482308651792035 | 0.061017705110358 | 0.065869831990467 | 0.072065909688794 | 0.081077599382996 | 0.114635066218084 | 0.405944588217451 | 0.127522533503258 | 0.54815393685684 | 0.942028530157791 | 0.80315509384266 |  | 0.94717 | 1.091138 | 1.039302 | 0.8692257 | 0.8653871 |  | 100 | 100 | 100 | 87.5 | 87.5 |  | Amino acid | Alanine and aspartate metabolism | 97-69-8; | 882 | 130.1
 | 39 |  | Glutamate metabolism | glutamate | LC/MS pos | 57 | C00025 | HMDB03339 |  | 1.01 | 1.06 | 1.12 | 0.89 | 1.05 | 1.12 | 0.88 | 1.06 | 0.84 | 0.79 |  | 0.951571261798846 | 0.237190826374796 | 0.228056517121802 | 0.078851699289762 | 0.052216032910299 | 0.025897960230999 | 0.102250998953673 | 0.043838467941916 | 0.312667564175499 | 0.329069682588979 | 0.081059002885591 | 0.080175352132597 | 0.107298011292682 | 0.106786700733235 | 0.212174207193392 | 0.491266818122344 | 0.01709534388575 | 0.422795336908257 | 0.00478381958993 | 0.27990274326209 |  | 0.9751703 | 0.9807094 | 1.030702 | 1.096027 | 0.8640106 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutamate metabolism | 56-86-0; | 700 | 148.1
 | 44 |  |  | glutamine | LC/MS pos | 53 | C00064 | HMDB00641 |  | 0.92 | 1.04 | 1.11 | 1.09 | 1.13 | 1.2 | 1.18 | 1.07 | 1.05 | 0.98 |  | 0.157587144521707 | 0.056637936225907 | 0.364309917586196 | 0.11314162461476 | 0.069640915538128 | 0.03204887242551 | 0.125845275295063 | 0.052155662559264 | 0.00672634125575 | 0.023942152853885 | 0.001253710351395 | 0.003258198130705 | 0.00272920543164 | 0.007062119646096 | 0.19755857934956 | 0.487285238909912 | 0.362350677850036 | 0.756659457016192 | 0.716427105901975 | 0.730001333132283 |  | 0.9742698 | 0.9001626 | 1.017889 | 1.084498 | 1.064001 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutamate metabolism | 56-85-9; | 684 | 147.2
 | 45 |  |  | pyroglutamine* | LC/MS pos | 32672 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.7 | 0.71 | 0.51 | 0.66 | 1.01 | 0.72 | 0.94 | 0.72 | 0.93 | 1.3 |  | 0.013645927478709 | 0.007616242243056 | 0.026037542753444 | 0.01368455693895 | < 0.001 | 0.000535882352 | 0.026382692179786 | 0.01478906509711 | 0.957857257759832 | 0.610222161247921 | 0.038263739817571 | 0.048522662611744 | 0.491432401299236 | 0.298817733100296 | 0.064613671143851 | 0.339190092841548 | 0.540318014511866 | 0.832336986102792 | 0.363580644629789 | 0.648124983010399 |  | 1.526455 | 1.067981 | 1.081761 | 0.7742069 | 1.004878 |  | 100 | 100 | 100 | 87.5 | 75 |  | Amino acid | Glutamate metabolism |  | 764 | 129.2
 | 46 |  |  | gamma-aminobutyrate (GABA) | GC/MS | 1416 | C00334 | HMDB00112 |  | 0.6 | 0.81 | 1.11 | 1.04 | 1.34 | 1.84 | 1.73 | 1.37 | 1.29 | 0.94 |  | < 0.001 | 0.000364404956716 | 0.067008149408077 | 0.029431757394613 | 0.405865305397785 | 0.134994973781828 | 0.656653033618588 | 0.192308095084683 | 0.003700862860864 | 0.015095623711144 | < 0.001 | 0.000460125860655 | < 0.001 | 0.000126840931773 | 0.013496494913125 | 0.14583192869786 | 0.016486523765126 | 0.422795336908257 | 0.627066484739093 | 0.720457141735071 |  | 1.147934 | 0.6905448 | 0.9270946 | 1.271912 | 1.193293 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutamate metabolism | 56-12-2; | 1539.7 | 304.1
 | 47 |  |  | N-acetylglutamate | LC/MS pos | 15720 | C00624 | HMDB01138 |  | 0.45 | 0.6 | 0.51 | 0.5 | 1.34 | 1.15 | 1.12 | 0.86 | 0.84 | 0.98 |  | < 0.001 | 0.000463699105365 | 0.007456046454501 | 0.005151517804797 | 0.001546121758788 | 0.001839118895855 | < 0.001 | 0.001098839626222 | 0.0104142882571 | 0.034366291534152 | 0.390063033751196 | 0.228085454788205 | 0.148088400819602 | 0.129652459652227 | 0.218319764430484 | 0.497298966785062 | 0.113618212305117 | 0.528114298266952 | 0.966557760398139 | 0.80315509384266 |  | 1.909133 | 0.8508054 | 1.137563 | 0.9763511 | 0.9546338 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutamate metabolism | 5817-08-3; | 1492 | 190.1
 | 49 |  |  | N-acetylglutamine | LC/MS pos | 33943 | C02716 | HMDB06029 |  | 0.83 | 0.92 | 0.93 | 0.89 | 1.12 | 1.12 | 1.08 | 1.01 | 0.97 | 0.96 |  | 0.014202255841028 | 0.007843268597337 | 0.171517430179935 | 0.062779172366792 | 0.240733811540961 | 0.089219531250698 | 0.026384693611114 | 0.01478906509711 | 0.158190184031067 | 0.209679483907598 | 0.168823461677707 | 0.132113080287948 | 0.200801540425855 | 0.15898979818049 | 0.953136387668918 | 0.824242568548748 | 0.66019607557012 | 0.870747975747549 | 0.648227580836825 | 0.725874937757349 |  | 1.101502 | 0.9087397 | 1.013995 | 1.021679 | 0.9839622 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutamate metabolism | 2490-97-3; | 1204 | 189.1
 | 50 |  | Histidine metabolism | histidine | LC/MS neg | 59 | C00135 | HMDB00177 |  | 1.13 | 1.3 | 1.35 | 1.15 | 1.15 | 1.19 | 1.02 | 1.04 | 0.89 | 0.85 |  | 0.230519382658726 | 0.075993067648444 | 0.044770895716704 | 0.021096085561924 | 0.029866048694795 | 0.017322498189497 | 0.223411002360202 | 0.084640037429328 | 0.101979880971874 | 0.150964570597349 | 0.055219159655091 | 0.061829714511748 | 0.912872784231274 | 0.42948343127579 | 0.697110456933614 | 0.77698170154729 | 0.170176481503464 | 0.580428362557701 | 0.097895751586308 | 0.601914579254405 |  | 0.8632869 | 0.9781653 | 1.121489 | 1.162019 | 0.9931265 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Histidine metabolism | 5934-29-2; | 757 | 154.1
 | 60 |  |  | 1-methylimidazoleacetate | LC/MS pos | 32350 | C05828 | HMDB02820 |  | 1.34 | 1.26 | 1.17 | 0.89 | 0.94 | 0.87 | 0.66 | 0.92 | 0.7 | 0.76 |  | 0.167478633354552 | 0.059531457431915 | 0.16900249167767 | 0.062043301944198 | 0.524761942893374 | 0.16664342527038 | 0.965576771629198 | 0.257213180133909 | 0.868491228304335 | 0.582805632247375 | 0.439050058766185 | 0.243859751570128 | 0.042112580411176 | 0.054485470023926 | 0.469211484064017 | 0.681652329955189 | 0.01623253746133 | 0.422795336908257 | 0.367936729421737 | 0.648124983010399 |  | 0.8404457 | 1.129829 | 1.059972 | 0.9802654 | 0.7441767 |  | 87.5 | 100 | 100 | 87.5 | 100 |  | Amino acid | Histidine metabolism | 2625-49-2 ; | 845 | 141.1
 | 63 |  | Lysine metabolism | glutarate (pentanedioate) | GC/MS | 396 | C00489 | HMDB00661 |  | 0.75 | 1 | 1.19 | 1.1 | 1.33 | 1.58 | 1.46 | 1.19 | 1.1 | 0.92 |  | 0.199878716783942 | 0.068221439594995 | 0.946159323497022 | 0.225071410423633 | 0.302164911809585 | 0.108194724708795 | 0.742403618909931 | 0.208599023403418 | 0.24139507162088 | 0.279723033946127 | 0.039032061979869 | 0.048775131027351 | 0.138892321695505 | 0.124407408405046 | 0.308658686556534 | 0.578555341097162 | 0.709518644462216 | 0.885311757309551 | 0.548839323647953 | 0.698535954001081 |  | 0.9389171 | 0.7070162 | 0.9384361 | 1.116903 | 1.029603 |  | 100 | 62.5 | 100 | 100 | 87.5 |  | Amino acid | Lysine metabolism | 110-94-1; | 1433.6 | 261
 | 69 |  |  | lysine | GC/MS | 1301 | C00047 | HMDB00182 |  | 0.75 | 0.59 | 0.67 | 0.56 | 0.79 | 0.9 | 0.75 | 1.14 | 0.95 | 0.83 |  | 0.016467449287338 | 0.008648801456127 | 0.001919595051337 | 0.001830064993408 | 0.002077351742248 | 0.002314129268329 | 0.001525887504473 | 0.001569095464934 | 0.130259481814097 | 0.17941378930702 | 0.444110164518412 | 0.245593769870515 | 0.075829792646097 | 0.084901993391639 | 0.346981857641928 | 0.599257078549455 | 0.727746097426359 | 0.891514237383316 | 0.207219535239649 | 0.601914579254405 |  | 1.478796 | 1.106434 | 0.87529 | 0.9956804 | 0.8273308 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Lysine metabolism | 56-87-1; | 1836.7 | 317.2
 | 71 |  |  | 2-aminoadipate | GC/MS | 6146 | C00956 | HMDB00510 |  | 0.56 | 0.44 | 0.59 | 0.37 | 0.79 | 1.06 | 0.67 | 1.33 | 0.85 | 0.64 |  | 0.006770606036441 | 0.004488115433471 | < 0.001 | 0.000475241576219 | 0.01761024016868 | 0.01123545642785 | < 0.001 | 0.000137178491525 | 0.219784686649475 | 0.260771711426668 | 0.930514035276821 | 0.392933430643586 | 0.037105645367977 | 0.049949970952984 | 0.378984156773064 | 0.621722462893432 | 0.221933240426466 | 0.675581393708759 | 0.110384366543292 | 0.601914579254405 |  | 1.986541 | 1.104422 | 0.8759919 | 1.166787 | 0.7427456 |  | 100 | 100 | 100 | 87.5 | 100 |  | Amino acid | Lysine metabolism | 542-32-5;1118-90-7; | 1686.5 | 260.1
 | 74 |  |  | pipecolate | LC/MS pos | 1444 | C00408 | HMDB00070 |  | 0.45 | 0.48 | 0.47 | 0.53 | 1.06 | 1.04 | 1.19 | 0.98 | 1.11 | 1.14 |  | < 0.001 | 6.89066318e-07 | < 0.001 | 3.184891898e-06 | < 0.001 | 3.443544272e-06 | < 0.001 | 8.525185073e-06 | 0.190603949236996 | 0.2377237031265 | 0.425029296541738 | 0.238590361893647 | 0.014722657093309 | 0.025587199320732 | 0.663646193700615 | 0.770693685851098 | 0.094322816246818 | 0.52310575172737 | 0.061432142638676 | 0.601914579254405 |  | 2.01494 | 0.9065657 | 0.9654573 | 0.9466923 | 1.074782 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Lysine metabolism | 4043-87-2; | 1120 | 130.1
 | 78 |  |  | N2-acetyllysine | LC/MS pos | 36751 | C12989 | HMDB00446 |  | 0.85 | 0.88 | 0.67 | 0.89 | 1.03 | 0.79 | 1.04 | 0.76 | 1.01 | 1.33 |  | 0.427664854583891 | 0.126215516648112 | 0.543515054865039 | 0.150887913888599 | 0.031043943017427 | 0.017688082429907 | 0.621881462827275 | 0.183302387848766 | 0.763504900582652 | 0.538691095271514 | 0.019179919758017 | 0.028634721967367 | 0.551842192520772 | 0.324534648283659 | 0.013351749303065 | 0.14583192869786 | 0.808462678335384 | 0.920759126473464 | 0.005453062200088 | 0.27990274326209 |  | 1.15431 | 0.9829021 | 1.012 | 0.7723295 | 1.026916 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Lysine metabolism | 1946-82-3; | 853 | 189.1
 | 79 |  |  | N6-acetyllysine | LC/MS pos | 36752 | C02727 | HMDB00206 |  | 0.61 | 0.62 | 0.66 | 0.7 | 1.01 | 1.08 | 1.14 | 1.07 | 1.12 | 1.05 |  | < 0.001 | 0.000233730973735 | < 0.001 | 0.000448697003431 | 0.00734201720535 | 0.005922625489057 | 0.001482519724993 | 0.001536048896807 | 0.909773900317333 | 0.600435753584076 | 0.762723303634723 | 0.34905591050196 | 0.214678347631934 | 0.165547510610667 | 0.830325826793247 | 0.799475044382777 | 0.268860774775246 | 0.738009446507402 | 0.538822188761827 | 0.698535954001081 |  | 1.446322 | 0.8876038 | 0.8975216 | 0.9602954 | 1.007921 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Lysine metabolism | 692-04-6; | 1134 | 189.1
 | 80 |  |  | [NAME] | LC/MS pos | 35439 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB13130 |  | 1.18 | 1.59 | 1.79 | 1.68 | 1.35 | 1.52 | 1.43 | 1.13 | 1.06 | 0.94 |  | 0.277216228925288 | 0.088954916404631 | < 0.001 | 0.00058423035863 | < 0.001 | 6.8715826277e-05 | 0.008897176004854 | 0.006176812912314 | 0.024871585000773 | 0.058202557856233 | 0.003125676539262 | 0.006579749055532 | 0.063736197661572 | 0.074588938772113 | 0.251645584970358 | 0.540437658172025 | 0.942029106140022 | 0.941853848113005 | 0.46040122761702 | 0.675652003511518 |  | 0.7758386 | 0.9129254 | 1.233577 | 1.390904 | 1.302727 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Lysine metabolism | 102636-82-8; | 1565 | 276.1
 | 83 |  | Phenylalanine & tyrosine metabolism | phenylalanine | LC/MS pos | 64 | [NAME] | HMDB00159 |  | 0.91 | 0.78 | 0.85 | 0.75 | 0.85 | 0.93 | 0.82 | 1.09 | 0.96 | 0.88 |  | 0.179451453810196 | 0.063059008158935 | < 0.001 | 0.001061332708261 | 0.023457212698586 | 0.014191769299756 | < 0.001 | 0.000686579119775 | 0.050510048811863 | 0.088705755859339 | 0.360230440736637 | 0.217038592583187 | 0.021236110297038 | 0.033191742875281 | 0.266202833865909 | 0.552602528570024 | 0.560628687362998 | 0.845176179341309 | 0.119178088986785 | 0.601914579254405 |  | 1.165509 | 1.065598 | 0.9093784 | 0.9892895 | 0.874889 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Phenylalanine & tyrosine metabolism | 63-91-2; | 2056 | 166.1
 | 88 |  |  | p-cresol sulfate | LC/MS neg | 36103 | C01468 | http://www.hmdb.ca/metabolites/ |  | 2.43 | 3.03 | 2.52 | 3.2 | 1.25 | 1.04 | 1.32 | 0.83 | 1.05 | 1.27 |  | < 0.001 | 0.000966077017641 | 0.00134128850214 | 0.001341107812843 | < 0.001 | 0.001084205705225 | < 0.001 | 4.3835900327e-05 | 0.522784162322168 | 0.436532745267802 | 0.869425635793798 | 0.376583658016595 | 0.113854716409742 | 0.109115414275998 | 0.619222792521424 | 0.765224358336994 | 0.498392965910513 | 0.809931988517749 | 0.157601336264684 | 0.601914579254405 |  | 0.387196 | 0.9402195 | 1.175051 | 0.9761212 | 1.238661 |  | 12.5 | 87.5 | 100 | 87.5 | 100 |  | Amino acid | Phenylalanine & tyrosine metabolism | 3233-57-7; | 2896 | 187.1
 | 99 |  |  | tyrosine | LC/MS pos | 1299 | C00082 | HMDB00158 |  | 1.08 | 0.95 | 1 | 0.87 | 0.87 | 0.92 | 0.8 | 1.05 | 0.92 | 0.87 |  | 0.383674449876855 | 0.115890799012613 | 0.641086219926134 | 0.172146249842042 | 0.964844307661503 | 0.262226102345887 | 0.193619654799026 | 0.075443324281082 | 0.118316072922753 | 0.166584863353739 | 0.372095040954682 | 0.220895897577742 | 0.029175301931654 | 0.042465547734901 | 0.690142740739296 | 0.77698170154729 | 0.266813631185147 | 0.738009446507402 | 0.219961092712422 | 0.601914579254405 |  | 1.04537 | 1.133792 | 0.9903696 | 1.041724 | 0.9077404 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Phenylalanine & tyrosine metabolism | 60-18-4; | 1516 | 182.1
 | 100 |  |  | 3-(4-hydroxyphenyl)lactate | LC/MS neg | 32197 | C03672 | HMDB00755 |  | 0.73 | 0.57 | 0.77 | 0.61 | 0.78 | 1.05 | 0.84 | 1.36 | 1.08 | 0.79 |  | 0.045092708087474 | 0.020947018977076 | 0.004188825041645 | 0.003411629618791 | 0.112046987784959 | 0.047228491465003 | 0.00680201310568 | 0.005055896011835 | 0.058485363175713 | 0.098551593411118 | 0.806013288188311 | 0.35773711336901 | 0.108668704657096 | 0.10757162443236 | 0.066814055087908 | 0.339190092841548 | 0.631365261900058 | 0.863866642340944 | 0.127431029548277 | 0.601914579254405 |  | 1.449761 | 1.058339 | 0.8213721 | 1.114035 | 0.8838022 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Phenylalanine & tyrosine metabolism | 6482-98-0; | 1395 | 181.1
 | 127 |  |  | phenylacetylglycine | LC/MS neg | 33945 | C05598 | HMDB00821 |  | 0.93 | 0.94 | 1.28 | 1.28 | 1.01 | 1.37 | 1.38 | 1.36 | 1.36 | 1 |  | 0.407508973433199 | 0.120821194221931 | 0.457354127661748 | 0.131418176330921 | 0.15281102262713 | 0.061245211904832 | 0.052272912648166 | 0.025532724541615 | 0.906773854017531 | 0.600435753584076 | 0.073131761213237 | 0.075096114818881 | 0.026801445328963 | 0.039504128166919 | 0.079644594190859 | 0.349607951748898 | 0.027652140384313 | 0.426283234962453 | 0.865719910782225 | 0.786494448759029 |  | 0.9367174 | 0.8740685 | 0.881701 | 1.200235 | 1.203158 |  | 100 | 75 | 75 | 87.5 | 100 |  | Amino acid | Phenylalanine & tyrosine metabolism | 500-98-1; | 2377 | 192.1
 | 144 |  | Tryptophan metabolism | kynurenine | LC/MS pos | 15140 | [NAME] | HMDB00684 |  | 0.65 | 0.7 | 0.75 | 0.6 | 1.09 | 1.16 | 0.92 | 1.06 | 0.85 | 0.8 |  | 0.041670471512063 | 0.019713111926989 | 0.091750950702226 | 0.037738617552589 | 0.166727512305251 | 0.065552185542617 | 0.017423037293033 | 0.010360352253994 | 0.581488472745355 | 0.460527349766609 | 0.459601227648085 | 0.250741402717366 | 0.662596218284506 | 0.364203787120765 | 0.806098035696168 | 0.799404399085483 | 0.314907659112075 | 0.747154107377373 | 0.248562955560562 | 0.622370854696497 |  | 1.382244 | 0.8928471 | 0.9724855 | 1.031371 | 0.8245153 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Tryptophan metabolism | 2922-83-0; | 1902 | 209.1
 | 145 |  |  | tryptophan | LC/MS pos | 54 | C00078 | HMDB00929 |  | 0.95 | 0.82 | 0.84 | 0.75 | 0.86 | 0.88 | 0.79 | 1.03 | 0.91 | 0.89 |  | 0.39229357184607 | 0.117391976116094 | 0.001646844917725 | 0.001607417754845 | 0.031126449510102 | 0.017688082429907 | < 0.001 | 0.000452129693516 | 0.108431794973946 | 0.158296466970884 | 0.225105020602459 | 0.156907439628435 | 0.016308989763335 | 0.027723486525816 | 0.842735787949262 | 0.799475044382777 | 0.173422334966328 | 0.580428362557701 | 0.216328874631394 | 0.601914579254405 |  | 1.147266 | 1.087909 | 0.9384326 | 0.9627387 | 0.8565036 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Tryptophan metabolism | 73-22-3; | 2445 | 205.1
 | 164 |  |  | C-glycosyltryptophan* | LC/MS pos | 32675 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.11 | 0.86 | 0.82 | 0.83 | 0.77 | 0.74 | 0.75 | 0.95 | 0.96 | 1.02 |  | 0.209402713377448 | 0.070460197390854 | 0.006603696598235 | 0.004694481272469 | 0.01087782979598 | 0.008121430491022 | 0.02659862941255 | 0.014848126738138 | 0.004917538062034 | 0.019232556628108 | 0.002859596318088 | 0.006080437545037 | 0.006153711671911 | 0.013269505595167 | 0.346951363066746 | 0.599257078549455 | 0.497888430473747 | 0.809931988517749 | 0.897079555716139 | 0.790619240461757 |  | 1.133229 | 1.258341 | 0.9746889 | 0.924997 | 0.9392837 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Tryptophan metabolism |  | 1912 | 367.1
 | 180 |  | [NAME], leucine and isoleucine metabolism | isoleucine | LC/MS pos | 1125 | C00407 | HMDB00172 |  | 0.97 | 0.88 | 0.89 | 0.76 | 0.91 | 0.92 | 0.79 | 1.01 | 0.87 | 0.86 |  | 0.551074625041076 | 0.155845653466398 | 0.076817887630832 | 0.03268971393499 | 0.09102113133543 | 0.039924581517308 | < 0.001 | 0.000216163660055 | 0.362434003122196 | 0.350911509410527 | 0.399060932598184 | 0.229579272531908 | 0.01783698409782 | 0.029460740999485 | 0.940177084156686 | 0.824242568548748 | 0.078534966761821 | 0.52310575172737 | 0.067727561881656 | 0.601914579254405 |  | 1.112676 | 1.074345 | 0.9794506 | 0.9860088 | 0.8499366 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | [NAME], leucine and isoleucine metabolism | 73-32-5; | 1614 | 132.1
 | 181 |  |  | leucine | LC/MS pos | 60 | C00123 | HMDB00687 |  | 0.87 | 0.8 | 0.83 | 0.73 | 0.91 | 0.95 | 0.84 | 1.04 | 0.92 | 0.89 |  | 0.064841642343187 | 0.027627573345402 | 0.001106338552065 | 0.001193520264709 | 0.038247967120265 | 0.02088927444642 | < 0.001 | 0.000195467017835 | 0.246520330086855 | 0.280919737099324 | 0.520690697733197 | 0.271981941883178 | 0.030570004442661 | 0.044219209998925 | 0.817128843944991 | 0.799404399085483 | 0.13617194346911 | 0.556507801927849 | 0.236457005341045 | 0.601914579254405 |  | 1.199571 | 1.049103 | 0.9595056 | 0.993242 | 0.8796505 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | [NAME], leucine and isoleucine metabolism | 61-90-5; | 1674 | 132.2
 | 190 |  |  | [NAME] | LC/MS pos | 1649 | C00183 | HMDB00883 |  | 0.87 | 0.82 | 0.84 | 0.76 | 0.95 | 0.97 | 0.87 | 1.02 | 0.92 | 0.9 |  | 0.056077934439777 | 0.024711825823334 | 0.001535142686518 | 0.001522557367318 | 0.040805506839861 | 0.022028937477311 | < 0.001 | 0.000774648162274 | 0.556146637747403 | 0.448464990895158 | 0.687286206428862 | 0.329562967704089 | 0.115519630263341 | 0.110257290926996 | 0.962397922075965 | 0.824242568548748 | 0.169291785151661 | 0.580428362557701 | 0.303704359131635 | 0.641760721737393 |  | 1.145788 | 0.9955576 | 0.9450313 | 0.9614239 | 0.865936 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | [NAME], leucine and isoleucine metabolism | 72-18-4; | 1040 | 118.1
 | 191 |  |  | 2-hydroxyisobutyrate | GC/MS | 22030 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00729 |  | 1.33 | 1.31 | 1.53 | 1.46 | 0.99 | 1.16 | 1.1 | 1.18 | 1.12 | 0.95 |  | 0.135124960688707 | 0.050397867765281 | 0.209949746467434 | 0.073983782251114 | 0.013594601086226 | 0.009446332336702 | 0.04419978691882 | 0.022142977574249 | 0.869962797132777 | 0.582805632247375 | 0.34089225653009 | 0.209824563121732 | 0.584492449684929 | 0.339217195860021 | 0.288027903925695 | 0.567174924410932 | 0.496094238387332 | 0.809931988517749 | 0.700208147345327 | 0.729165073473675 |  | 0.6479052 | 0.8588157 | 0.846054 | 0.9941677 | 0.9462608 |  | 50 | 75 | 87.5 | 87.5 | 87.5 |  | Amino acid | [NAME], leucine and isoleucine metabolism | 594-61-6; | 1107.5 | 130.9
 | 198 |  |  | alpha-hydroxyisovalerate | GC/MS | 33937 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00407 |  | 1.22 | 0.91 | 0.94 | 0.94 | 0.74 | 0.77 | 0.77 | 1.04 | 1.04 | 1 |  | 0.192170813874109 | 0.066116751054182 | 0.792353587006913 | 0.198621367454488 | 0.706211906240563 | 0.208684189675584 | 0.966669122242364 | 0.257213180133909 | 0.036583049053893 | 0.072888176238624 | 0.141014582059914 | 0.114171044433247 | 0.051892329993075 | 0.063271940994674 | 0.839670137127093 | 0.799475044382777 | 0.765361090968545 | 0.901950366284153 | 0.691677762489122 | 0.729165073473675 |  | 0.930867 | 1.134272 | 0.8441809 | 0.8754932 | 0.8785664 |  | 87.5 | 100 | 100 | 87.5 | 100 |  | Amino acid | [NAME], leucine and isoleucine metabolism | 600-37-3; | 1208 | 145.1
 | 199 |  |  | isovalerylglycine | LC/MS pos | 35107 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00678 |  | 0.53 | 0.48 | 0.52 | 0.47 | 0.89 | 0.97 | 0.88 | 1.09 | 0.99 | 0.91 |  | 0.003970207476668 | 0.002987533402331 | < 0.001 | 0.000340976097105 | < 0.001 | 0.000877749633207 | < 0.001 | 0.000344695681562 | 0.760579982157161 | 0.537825247320327 | 0.955170339997957 | 0.397987732797755 | 0.695922124685076 | 0.371719640173769 | 0.663087255463871 | 0.770693685851098 | 0.911912078513342 | 0.941853848113005 | 0.592560063706913 | 0.702558323479561 |  | 1.56901 | 0.8366166 | 0.7475565 | 0.8113899 | 0.7363453 |  | 100 | 75 | 87.5 | 100 | 87.5 |  | Amino acid | [NAME], leucine and isoleucine metabolism | 16284-60-9; | 2665 | 160.1
 | 200 |  |  | isobutyrylcarnitine | LC/MS pos | 33441 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.02 | 1.14 | 1.16 | 1.04 | 1.12 | 1.14 | 1.02 | 1.02 | 0.91 | 0.89 |  | 0.828377987219817 | 0.212334473537025 | 0.567521174485315 | 0.155101557313577 | 0.604901540308406 | 0.186604200453033 | 0.99141443118604 | 0.26110541948405 | 0.656098408284839 | 0.496849844842495 | 0.694166902873626 | 0.332105848721638 | 0.86501043618738 | 0.416214627572634 | 0.983068734050697 | 0.824242568548748 | 0.624677727978114 | 0.863866642340944 | 0.652400193268939 | 0.725874937757349 |  | 0.9425627 | 0.9605188 | 1.076535 | 1.097059 | 0.9795926 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | [NAME], leucine and isoleucine metabolism | 25518-49-4; | 1941 | 232.2
 | 202 |  |  | 2-methylbutyroylcarnitine | LC/MS pos | 35431 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00378 |  | 1.44 | 1.78 | 2.16 | 2.07 | 1.24 | 1.5 | 1.44 | 1.22 | 1.16 | 0.96 |  | 0.077078769195846 | 0.031994015765877 | 0.024659402653314 | 0.013359902761245 | 0.006116532818062 | 0.0051955641856 | 0.003732747386387 | 0.003251677300041 | 0.403998202778231 | 0.375448039956371 | 0.12318236022376 | 0.103722699154508 | 0.103873430229832 | 0.105635610089073 | 0.473031923001929 | 0.681652329955189 | 0.462011092143513 | 0.808762393783195 | 0.980844743480246 | 0.80315509384266 |  | 0.6515376 | 0.9358453 | 1.157804 | 1.407942 | 1.346389 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | [NAME], leucine and isoleucine metabolism | 31023-25-3; | 2439 | 246.1
 | 205 |  |  | isovalerylcarnitine | LC/MS pos | 34407 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00688 |  | 0.69 | 1.17 | 1.82 | 1.73 | 1.71 | 2.65 | 2.51 | 1.55 | 1.47 | 0.95 |  | 0.178000317688539 | 0.062923818678208 | 0.655943823574577 | 0.174989634468517 | 0.145253441229451 | 0.058924845582697 | 0.088148224821568 | 0.039526851569175 | 0.095021934401114 | 0.142664434954972 | 0.016008410610963 | 0.024778476725938 | 0.005062196151079 | 0.01133566449725 | 0.298197779394594 | 0.578555341097162 | 0.220496458168828 | 0.675581393708759 | 0.94675375330184 | 0.80315509384266 |  | 0.8981366 | 0.6170498 | 1.054982 | 1.634939 | 1.550156 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | [NAME], leucine and isoleucine metabolism |  | 2533 | 246.2
 | 206 |  |  | [NAME] | LC/MS pos | 35433 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.88 | 1.14 | 1.16 | 1.06 | 1.29 | 1.31 | 1.2 | 1.02 | 0.93 | 0.91 |  | 0.264553305709898 | 0.085746887166014 | 0.142426778090559 | 0.054737917913733 | 0.296053680190993 | 0.106277622020512 | 0.688720141524385 | 0.200411859534768 | 0.012852483543904 | 0.038052008706504 | 0.053919111976079 | 0.061023214923396 | 0.159405660416707 | 0.135486033863251 | 0.956099823876108 | 0.824242568548748 | 0.373376777048392 | 0.756659457016192 | 0.521720751977552 | 0.69370762442494 |  | 0.9063586 | 0.7973306 | 1.029054 | 1.048166 | 0.9567285 |  | 87.5 | 75 | 100 | 87.5 | 87.5 |  | Amino acid | [NAME], leucine and isoleucine metabolism | 99159-87-2; | 1683 | 262.1
 | 207 |  |  | [NAME] | LC/MS pos | 35428 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB02366 |  | 1.02 | 1.29 | 1.5 | 1.44 | 1.27 | 1.47 | 1.41 | 1.16 | 1.11 | 0.96 |  | 0.822351409049983 | 0.211210445291014 | 0.381725043992526 | 0.116780734655582 | 0.147335072297088 | 0.059597053349051 | 0.074309074483585 | 0.03421873058687 | 0.367763799862822 | 0.35411749936738 | 0.160931489927197 | 0.126880554536857 | 0.10595238731541 | 0.106618740262988 | 0.5966110785632 | 0.754993671568465 | 0.522800629524157 | 0.821515998572421 | 0.960228074742968 | 0.80315509384266 |  | 0.8465631 | 0.8607206 | 1.093567 | 1.268358 | 1.216741 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | [NAME], leucine and isoleucine metabolism | 64191-86-2; | 2317 | 244.1
 | 208 |  |  | methylglutaroylcarnitine | LC/MS pos | 37060 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00552 |  | 0.85 | 0.91 | 1.24 | 0.92 | 1.08 | 1.46 | 1.08 | 1.35 | 1 | 0.74 |  | 0.388578935507774 | 0.116947265410212 | 0.621602147793755 | 0.168014866815642 | 0.227762277654402 | 0.085169398093738 | 0.5531793116025 | 0.168273716097635 | 0.749624571238552 | 0.533271375473622 | 0.040570910358626 | 0.050237859710216 | 0.893513617550375 | 0.42553341644768 | 0.106774914016597 | 0.391261955605575 | 0.88533158118491 | 0.937861296555617 | 0.112968680198088 | 0.601914579254405 |  | 1.089161 | 0.9237618 | 0.9957566 | 1.34588 | 1.00011 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | [NAME], leucine and isoleucine metabolism |  | 1900 | 290.1
 | 213 |  | Cysteine, methionine, SAM, taurine metabolism | cysteine | GC/MS | 31453 | C00097 | HMDB00574 |  | 1.23 | 0.9 | 1.03 | 0.95 | 0.73 | 0.83 | 0.78 | 1.14 | 1.06 | 0.93 |  | 0.223118638079424 | 0.074185762093136 | 0.368081188352098 | 0.113954484209691 | 0.862354528297944 | 0.241456087922038 | 0.716442918359477 | 0.204268441162329 | 0.073998282602463 | 0.120215741009165 | 0.299733302850165 | 0.190047522759702 | 0.121594180763876 | 0.114183266725788 | 0.316921742474156 | 0.580658021953967 | 0.476887165726463 | 0.809931988517749 | 0.599095194569101 | 0.702558323479561 |  | 0.9842652 | 1.211141 | 0.8831924 | 1.010979 | 0.9394522 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Cysteine, methionine, SAM, taurine metabolism | 52-90-4;56-89-3; | 1560.1 | 218
 | 219 |  |  | methionine sulfoxide | LC/MS pos | 18374 | C02989 | HMDB02005 |  | 0.99 | 1.46 | 1.74 | 1.83 | 1.47 | 1.75 | 1.85 | 1.19 | 1.26 | 1.05 |  | 0.986934141341931 | 0.243750843233601 | 0.064237213187607 | 0.028938142230875 | 0.003638568757672 | 0.003674209431475 | 0.002794550489562 | 0.002470907700877 | 0.054924878595393 | 0.094052790610045 | 0.002739580042187 | 0.005954381169024 | 0.002210170289859 | 0.006104178788612 | 0.305665619325436 | 0.578555341097162 | 0.224199845117483 | 0.675581393708759 | 0.805175569499199 | 0.766820323277206 |  | 0.8165973 | 0.8102151 | 1.188284 | 1.419011 | 1.495302 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Cysteine, methionine, SAM, taurine metabolism | 3226-65-1; | 729 | 166.1
 | 221 |  |  | hypotaurine | GC/MS | 590 | C00519 | HMDB00965 |  | 0.45 | 0.42 | 0.34 | 0.3 | 0.94 | 0.75 | 0.66 | 0.8 | 0.71 | 0.88 |  | < 0.001 | 0.000112475343889 | < 0.001 | 1.1732454417e-05 | < 0.001 | 1.3499174241e-05 | < 0.001 | 8.525185073e-06 | 0.741042349012071 | 0.529924025854717 | 0.097580143593512 | 0.08930975833943 | 0.023360392044156 | 0.035364353569588 | 0.121612329395643 | 0.425756881999945 | 0.025658257824947 | 0.422824710867031 | 0.415431959163546 | 0.671618851200877 |  | 2.444225 | 1.102794 | 1.032853 | 0.8293226 | 0.7332155 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Cysteine, methionine, SAM, taurine metabolism | 300-84-5; | 1598.5 | 188
 | 222 |  |  | taurine | LC/MS pos | 32975 | C00245 | HMDB00251 |  | 1.25 | 1.41 | 1.34 | 1.48 | 1.13 | 1.07 | 1.18 | 0.95 | 1.05 | 1.1 |  | 0.008928441661144 | 0.005659464036441 | < 0.001 | 8.0258243246e-05 | < 0.001 | 0.001084205705225 | < 0.001 | 6.1179858964e-05 | 0.072623812802658 | 0.118590970911312 | 0.370588500680631 | 0.220895897577742 | 0.031150861800639 | 0.044664576842223 | 0.352531099489789 | 0.601446100544037 | 0.437021427015609 | 0.785808100278082 | 0.15307858640506 | 0.601914579254405 |  | 0.7420406 | 0.9280332 | 1.047558 | 0.9937983 | 1.096274 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Cysteine, methionine, SAM, taurine metabolism | 107-35-7; | 687 | 126.1
 | 224 |  |  | S-adenosylhomocysteine (SAH) | LC/MS neg | 15948 | C00021 | HMDB00939 |  | 0.53 | 0.8 | 0.8 | 0.77 | 1.5 | 1.5 | 1.46 | 1 | 0.97 | 0.97 |  | < 0.001 | 0.000269768267235 | 0.036219082463687 | 0.018041978901363 | 0.005622042534177 | 0.004957532324714 | 0.005444975414365 | 0.004354901177199 | 0.011003052318569 | 0.035568160979942 | 0.003912566026901 | 0.00799631239032 | 0.006782049437899 | 0.014358518090292 | 0.857525642026032 | 0.799475044382777 | 0.930276906430766 | 0.941853848113005 | 0.726026991701538 | 0.7367321552407 |  | 1.285731 | 0.6806927 | 1.022529 | 1.02253 | 0.9950856 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Cysteine, methionine, SAM, taurine metabolism | 979-92-0; | 1821 | 383.1
 | 225 |  |  | [NAME] | LC/MS pos | 1302 | C00073 | HMDB00696 |  | 0.97 | 0.91 | 0.91 | 0.8 | 0.94 | 0.94 | 0.82 | 1.01 | 0.88 | 0.87 |  | 0.609572388513187 | 0.169410362945924 | 0.201508033449664 | 0.071832316467618 | 0.323350515536855 | 0.114235318913691 | 0.018433340188108 | 0.010819983752536 | 0.593341266847204 | 0.466911947757416 | 0.604029189420118 | 0.302023772377603 | 0.091779937065778 | 0.094945188070994 | 0.898921114796374 | 0.809416326002917 | 0.147611129980951 | 0.569851795642191 | 0.324312913983362 | 0.641760721737393 |  | 1.086989 | 1.049227 | 0.9856951 | 0.9912224 | 0.8652229 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Cysteine, methionine, SAM, taurine metabolism | 63-68-3; | 1252 | 150.1
 | 227 |  |  | N-acetylmethionine | LC/MS neg | 1589 | C02712 | HMDB11745 |  | 1.36 | 1.03 | 1.02 | 0.98 | 0.76 | 0.75 | 0.72 | 0.99 | 0.95 | 0.97 |  | 0.013376570387352 | 0.007590222598084 | 0.782393865223457 | 0.197580043881326 | 0.990605659562223 | 0.266877034596283 | 0.779501950942168 | 0.21624634650714 | 0.023010966446181 | 0.055791101802632 | 0.038537957335146 | 0.048577763683163 | 0.025859465716879 | 0.038358467584929 | 0.815117917193997 | 0.799404399085483 | 0.620599026791797 | 0.863866642340944 | 0.81571462216053 | 0.771973438276498 |  | 0.9759134 | 1.325579 | 1.005226 | 0.9942027 | 0.9594243 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Cysteine, methionine, SAM, taurine metabolism | 65-82-7; | 1805 | 190.1
 | 229 |  |  | 2-hydroxybutyrate (AHB) | GC/MS | 21044 | C05984 | HMDB00008 |  | 0.58 | 0.61 | 0.64 | 0.6 | 1.05 | 1.09 | 1.03 | 1.03 | 0.97 | 0.94 |  | 0.010427740090584 | 0.006420067422186 | 0.031292261626717 | 0.015970667765838 | 0.027206941682592 | 0.015978277024996 | 0.014546257328188 | 0.009167903299681 | 0.936585048198561 | 0.603054310757096 | 0.473590514377601 | 0.254971439121413 | 0.889228587015851 | 0.42530215360986 | 0.669139944765912 | 0.770693685851098 | 0.980177107044552 | 0.941853848113005 | 0.593015519760893 | 0.702558323479561 |  | 1.504121 | 0.87913 | 0.9249613 | 0.9565867 | 0.9013709 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Cysteine, methionine, SAM, taurine metabolism | 3347-90-8; | 1169.4 | 130.9
 | 231 |  |  | homocysteine | GC/MS | 40266 | C00155 | HMDB00742 |  | 0.36 | 0.64 | 0.85 | 0.86 | 1.79 | 2.37 | 2.38 | 1.33 | 1.34 | 1 |  | 0.006284676772803 | 0.004259580636223 | 0.155394116745136 | 0.058264943663579 | 0.405632325481294 | 0.134994973781828 | 0.753265605939026 | 0.210247359196369 | 0.068286648891736 | 0.113152592904574 | 0.078652962663752 | 0.079219864883802 | 0.007531437258101 | 0.015801424386218 | 0.797756483623563 | 0.799404399085483 | 0.167634350578089 | 0.580428362557701 | 0.474536722330995 | 0.675652003511518 |  | 1.246203 | 0.4476862 | 0.7993391 | 1.062076 | 1.067224 |  | 100 | 37.5 | 100 | 75 | 100 |  | Amino acid | Cysteine, methionine, SAM, taurine metabolism | 454-29-5; | 1648.2 | 234
 | 237 |  |  | oleoyltaurine | LC/MS neg | 39732 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 4.55 | 3.12 | 3.08 | 3.57 | 0.69 | 0.68 | 0.78 | 0.99 | 1.15 | 1.16 |  | < 0.001 | 0.000688236457476 | 0.006523762416808 | 0.004664620234355 | 0.006144586759978 | 0.0051955641856 | 0.001810844419293 | 0.001821045186201 | 0.086101011403145 | 0.132408340133441 | 0.093363325994635 | 0.087349232621141 | 0.251904304898412 | 0.186237180969024 | 0.968105487652592 | 0.824242568548748 | 0.379115669938588 | 0.756659457016192 | 0.403462423571717 | 0.666267263476561 |  | 0.3593194 | 1.635351 | 1.120709 | 1.105917 | 1.283439 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Cysteine, methionine, SAM, taurine metabolism | 52514-04-2; | 5599.9 | 388.3
 | 240 |  | Urea cycle; arginine-, proline-, metabolism | dimethylarginine (SDMA + ADMA) | LC/MS pos | 36808 | C03626 | HMDB01539,HMDB03334 |  | 0.81 | 0.62 | 0.6 | 0.56 | 0.77 | 0.74 | 0.69 | 0.97 | 0.9 | 0.92 |  | 0.015309225150528 | 0.008298594073775 | < 0.001 | 1.1147784391e-05 | < 0.001 | 0.000533737741726 | < 0.001 | 0.000689855491332 | 0.005424140956412 | 0.019980521732789 | 0.013940312928962 | 0.022231250330685 | 0.009161843625341 | 0.018328316998086 | 0.625663324163877 | 0.765243939904661 | 0.26540862674213 | 0.738009446507402 | 0.528068626560388 | 0.698535954001081 |  | 1.478806 | 1.198617 | 0.9196596 | 0.8919709 | 0.8237519 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Urea cycle; arginine-, proline-, metabolism |  | 812 | 203.2
 | 241 |  |  | arginine | GC/MS | 1638 | C00062 | HMDB00517 |  | 1.01 | 1.08 | 0.97 | 0.55 | 1.07 | 0.96 | 0.54 | 0.9 | 0.51 | 0.57 |  | 0.563733459963383 | 0.158727907084531 | 0.456631632878112 | 0.131418176330921 | 0.66954160086629 | 0.199952956583044 | 0.523459255133266 | 0.163824909774162 | 0.844171386531968 | 0.577595691682275 | 0.874516653281941 | 0.378010984688026 | 0.154574672713727 | 0.13415334104715 | 0.728274322254655 | 0.784361225381772 | 0.103397741133738 | 0.52310575172737 | 0.225019441806143 | 0.601914579254405 |  | 1.015701 | 1.029887 | 1.099882 | 0.9854314 | 0.5577721 |  | 62.5 | 87.5 | 87.5 | 75 | 62.5 |  | Amino acid | Urea cycle; arginine-, proline-, metabolism | 1119-34-2; | 1608.5 | 142
 | 244 |  |  | ornithine | GC/MS | 1493 | C00077 | HMDB03374 |  | 0.9 | 0.75 | 0.83 | 0.71 | 0.83 | 0.91 | 0.78 | 1.1 | 0.95 | 0.86 |  | 0.439027495086953 | 0.128479475082254 | 0.024987048399581 | 0.013478039142952 | 0.166327618109692 | 0.065552185542617 | 0.03484479908342 | 0.018543142378611 | 0.200224514230753 | 0.244517084340205 | 0.560784905159743 | 0.287145902545355 | 0.141353784579361 | 0.125645663181857 | 0.527840715329428 | 0.714566027037165 | 0.477561215755119 | 0.809931988517749 | 0.307685274398085 | 0.641760721737393 |  | 1.247897 | 1.129338 | 0.9348001 | 1.032411 | 0.8859672 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Urea cycle; arginine-, proline-, metabolism | 3184-13-2; | 1763.8 | 141.9
 | 245 |  |  | urea | GC/MS | 1670 | C00086 | HMDB00294 |  | 0.51 | 0.57 | 0.58 | 0.51 | 1.11 | 1.14 | 1 | 1.03 | 0.9 | 0.88 |  | 0.001704536559643 | 0.001481972969395 | 0.006256813319692 | 0.004580264075222 | 0.006449719518906 | 0.005325250344028 | 0.001451409569883 | 0.001526951073172 | 0.472933661464192 | 0.410470235569129 | 0.247435456575181 | 0.167481499618367 | 0.844203521859616 | 0.412164074051339 | 0.739014201687768 | 0.784361225381772 | 0.501659532726951 | 0.809931988517749 | 0.194419082321278 | 0.601914579254405 |  | 1.781549 | 0.9105474 | 1.012443 | 1.040062 | 0.9112394 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Urea cycle; arginine-, proline-, metabolism | 57-13-6; | 1223.9 | 171
 | 246 |  |  | proline | LC/MS pos | 1898 | C00148 | HMDB00162 |  | 1.12 | 0.93 | 1.01 | 0.92 | 0.83 | 0.9 | 0.82 | 1.08 | 0.98 | 0.91 |  | 0.104881722229978 | 0.041052669918541 | 0.40178922019449 | 0.121111315064891 | 0.901357043569027 | 0.248070317491475 | 0.253336631089382 | 0.09440835235472 | 0.025358752530315 | 0.05863833456282 | 0.155255077762256 | 0.122865364625085 | 0.00495657470203 | 0.011206907434891 | 0.35740605440325 | 0.603618329965692 | 0.875095638823867 | 0.937861296555617 | 0.225787235093767 | 0.601914579254405 |  | 0.9941062 | 1.112945 | 0.9290525 | 1.005519 | 0.9125049 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Urea cycle; arginine-, proline-, metabolism | 147-85-3; | 796 | 116.1
 | 247 |  |  | 5-aminovalerate | GC/MS | 18319 | C00431 | HMDB03355 |  | 0.41 | 0.99 | 0.75 | 0.95 | 2.43 | 1.84 | 2.33 | 0.76 | 0.96 | 1.27 |  | 0.001163575652372 | 0.001077148304121 | 0.874189833807534 | 0.210805616611694 | 0.045814638311366 | 0.023729199804549 | 0.72954907806586 | 0.206320391956403 | 0.001346466138852 | 0.007109163368832 | 0.010831373959001 | 0.018689127077873 | 0.001694238078411 | 0.004871141810482 | 0.074645636409308 | 0.344281816983426 | 0.896389644102375 | 0.940482793519741 | 0.046324817358948 | 0.565249439741983 |  | 1.187308 | 0.4821317 | 1.171386 | 0.8885892 | 1.12494 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Urea cycle; arginine-, proline-, metabolism | 660-88-8; | 1620.8 | 174
 | 248 |  |  | citrulline | LC/MS pos | 2132 | C00327 | HMDB00904 |  | 0.8 | 0.85 | 0.86 | 0.75 | 1.06 | 1.08 | 0.95 | 1.01 | 0.89 | 0.88 |  | 0.015349201996589 | 0.008298594073775 | 0.027173301371938 | 0.014160448366862 | 0.08116750956157 | 0.036282791616488 | 0.013723329504191 | 0.008770497100528 | 0.355393314831576 | 0.347486992806404 | 0.449266272501567 | 0.246928000486964 | 0.527221219394149 | 0.314020121606167 | 0.983268067664638 | 0.824242568548748 | 0.174260198802162 | 0.580428362557701 | 0.221393204010039 | 0.601914579254405 |  | 1.208761 | 0.9633504 | 1.021908 | 1.035996 | 0.9113585 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Urea cycle; arginine-, proline-, metabolism | 372-75-8; | 715 | 176.1
 | 252 |  |  | trans-4-hydroxyproline | LC/MS pos | 32306 | C01157 | HMDB00725 |  | 0.67 | 0.65 | 0.8 | 0.68 | 0.98 | 1.19 | 1.02 | 1.22 | 1.04 | 0.86 |  | 0.332194942142071 | 0.103000799612538 | 0.319880177308002 | 0.101916998657688 | 0.878909515676664 | 0.244772008643896 | 0.428474006381546 | 0.139858526688056 | 0.987145037429505 | 0.611943049203883 | 0.19575085352446 | 0.144585287115258 | 0.731436534495218 | 0.379503272656306 | 0.155037265312573 | 0.436336309713538 | 0.723637428106623 | 0.891514237383316 | 0.214034585941033 | 0.601914579254405 |  | 1.221557 | 0.8162122 | 0.7991334 | 0.9729384 | 0.8322492 |  | 75 | 75 | 87.5 | 100 | 100 |  | Amino acid | Urea cycle; arginine-, proline-, metabolism | 51-35-4; | 705 | 132.1
 | 259 |  | [NAME] metabolism | creatine | LC/MS pos | 27718 | C00300 | HMDB00064 |  | 1.14 | 0.93 | 0.92 | 0.96 | 0.81 | 0.81 | 0.84 | 0.99 | 1.03 | 1.04 |  | 0.045387319083676 | 0.020970002739102 | 0.173734737280398 | 0.063386582783633 | 0.294227054079007 | 0.106064204956726 | 0.504753461544692 | 0.158429215843925 | 0.003064658044626 | 0.013299443579697 | 0.034394977403286 | 0.044693597271612 | 0.047384346984129 | 0.059328491942913 | 0.770147548098543 | 0.78879969702104 | 0.805444188873239 | 0.920759126473464 | 0.672338576676206 | 0.729165073473675 |  | 1.033118 | 1.178559 | 0.9565474 | 0.9501015 | 0.9880663 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | [NAME] metabolism | 57-00-1; | 758 | 132.1
 | 263 |  | Butanoate metabolism | 2-aminobutyrate | GC/MS | 1577 | C02261 | HMDB00650 |  | 0.64 | 0.6 | 0.78 | 0.58 | 0.93 | 1.21 | 0.9 | 1.31 | 0.97 | 0.74 |  | < 0.001 | 0.000520467851701 | < 0.001 | 0.000305603061371 | 0.046934825779532 | 0.024131298110451 | < 0.001 | 0.000195467017835 | 0.33214154206052 | 0.337242975398145 | 0.108199803063301 | 0.095249213587539 | 0.175842518134511 | 0.145348091626299 | 0.035610550585386 | 0.254344826393686 | 0.69301160469381 | 0.885311757309551 | 0.020006416374794 | 0.534064839509611 |  | 1.514068 | 0.9737137 | 0.9039835 | 1.181407 | 0.8735217 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Butanoate metabolism | 1492-24-6; | 1215.7 | 130
 | 266 |  | Polyamine metabolism | 5-methylthioadenosine (MTA) | LC/MS pos | 1419 | [NAME] | HMDB01173 |  | 2.08 | 1.61 | 1.48 | 1.38 | 0.78 | 0.71 | 0.66 | 0.92 | 0.85 | 0.93 |  | < 0.001 | 0.000192000864361 | 0.004573544002512 | 0.003628839547975 | 0.001999796696673 | 0.002245556337976 | 0.042058795892076 | 0.021304510613071 | 0.115605346314267 | 0.163494899764994 | 0.031163570156657 | 0.042492558369701 | 0.018811106279064 | 0.030098989902801 | 0.650904689743937 | 0.770693685851098 | 0.341341180776295 | 0.754983710123564 | 0.505022307796744 | 0.689572164996454 |  | 0.7184811 | 1.494057 | 1.15887 | 1.06603 | 0.9900551 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Polyamine metabolism | 2457-80-9; | 2427 | 298.1
 | 267 |  |  | putrescine | GC/MS | 1408 | C00134 | HMDB01414 |  | 4.3 | 2.27 | 1.59 | 2.37 | 0.53 | 0.37 | 0.55 | 0.7 | 1.04 | 1.49 |  | < 0.001 | 0.000327837925736 | 0.001163181190363 | 0.001218422627441 | 0.002325221540371 | 0.002569855702143 | 0.003948092622373 | 0.003417501684398 | 0.03256685885488 | 0.067874492072007 | 0.001973967869937 | 0.004721964358144 | 0.047277791706173 | 0.059328491942913 | 0.086424695292188 | 0.371627644448475 | 0.989501191388232 | 0.941853848113005 | 0.140906007373732 | 0.601914579254405 |  | 0.4903091 | 2.108544 | 1.1136 | 0.7787486 | 1.163518 |  | 0 | 100 | 100 | 100 | 87.5 |  | Amino acid | Polyamine metabolism | 110-60-1; | 1705.8 | 174
 | 270 |  |  | spermidine | LC/MS pos | 485 | C00315 | HMDB01257 |  | 1.28 | 1.11 | 1.04 | 1 | 0.87 | 0.82 | 0.78 | 0.94 | 0.9 | 0.96 |  | 0.031461730474473 | 0.015510927790775 | 0.301883477250379 | 0.097474825741436 | 0.557141902573107 | 0.174556461933909 | 0.986762520358042 | 0.261036113088439 | 0.200368053434779 | 0.244517084340205 | 0.055055682274913 | 0.061829714511748 | 0.038917178162688 | 0.050916986692459 | 0.541937472758792 | 0.718155172832583 | 0.323002530225163 | 0.747154107377373 | 0.576156693438232 | 0.700403608036641 |  | 0.9548244 | 1.220864 | 1.061741 | 0.9958872 | 0.9577329 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Polyamine metabolism | 124-20-9; | 533 | 146.2
 | 280 |  | Glutathione metabolism | glutathione, reduced (GSH) | LC/MS pos | 2127 | C00051 | HMDB00125 |  | 1.57 | 2.63 | 1.82 | 0.53 | 1.68 | 1.16 | 0.34 | 0.69 | 0.2 | 0.29 |  | 0.637665480351976 | 0.174912981303453 | 0.688706184395467 | 0.181369269823557 | 0.810651241594435 | 0.229867183736417 | 0.082955910472757 | 0.037692880724723 | 0.971529946697002 | 0.611436707230751 | 0.563322478955688 | 0.287145902545355 | 0.081199643721693 | 0.08840870177668 | 0.60275596326366 | 0.758215991585739 | 0.178126389320115 | 0.580428362557701 | 0.379622536290406 | 0.648124983010399 |  | 1.725143 | 2.706003 | 4.539554 | 3.140767 | 0.9077771 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutathione metabolism | 70-18-8; | 1274 | 308.1
 | 281 |  |  | S-methylglutathione | LC/MS pos | 33944 | C11347 | http://www.hmdb.ca/metabolites/ |  | 1.53 | 1.5 | 1.48 | 1.41 | 0.98 | 0.97 | 0.92 | 0.99 | 0.94 | 0.95 |  | 0.004497835390308 | 0.003269835978047 | 0.003606426488683 | 0.002976716111462 | 0.003386664909775 | 0.003509642072901 | 0.011984171231187 | 0.007865829664697 | 0.936296124220515 | 0.603054310757096 | 0.88658243686153 | 0.381659047378038 | 0.487038345528674 | 0.297698446883473 | 0.949602898971575 | 0.824242568548748 | 0.4841734364374 | 0.809931988517749 | 0.454019779360482 | 0.675652003511518 |  | 0.7262198 | 1.109796 | 1.089813 | 1.075975 | 1.022354 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutathione metabolism | 2922-56-7; | 1610 | 322.1
 | 282 |  |  | 5-oxoproline | LC/MS neg | 1494 | C01879 | HMDB00267 |  | 0.81 | 0.92 | 1.14 | 0.91 | 1.13 | 1.4 | 1.12 | 1.24 | 1 | 0.8 |  | 0.006481972430044 | 0.004344118143968 | 0.326299941853839 | 0.103693762654427 | 0.178036683744623 | 0.069031776099376 | 0.261077393352623 | 0.096504160135174 | 0.339531111337102 | 0.34146274701326 | 0.002002823683625 | 0.004737159515508 | 0.201395573286709 | 0.15898979818049 | 0.067100036546698 | 0.339190092841548 | 0.948502278484144 | 0.941853848113005 | 0.040318000905574 | 0.534064839509611 |  | 1.073028 | 0.8725387 | 0.984383 | 1.225018 | 0.9815037 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutathione metabolism | 98-79-3; | 744 | 128.2
 | 283 |  |  | glutathione, oxidized (GSSG) | LC/MS pos | 27727 | C00127 | HMDB03337 |  | 0.8 | 0.79 | 0.78 | 0.75 | 0.98 | 0.97 | 0.94 | 0.99 | 0.95 | 0.96 |  | 0.001648013429431 | 0.001452457949084 | < 0.001 | 0.000558654261082 | < 0.001 | 0.00056115702847 | < 0.001 | 0.000344695681562 | 0.801375852962727 | 0.559183963361308 | 0.633136844495802 | 0.312677213301345 | 0.290731123937868 | 0.201918269354234 | 0.764874200450546 | 0.78879969702104 | 0.320569632907185 | 0.747154107377373 | 0.478805761300633 | 0.675652003511518 |  | 1.248865 | 1.000415 | 0.9848569 | 0.9734027 | 0.9388497 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutathione metabolism | 103239-24-3; | 1535 | 613.1
 | 284 |  |  | cysteine-glutathione disulfide | LC/MS pos | 35159 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00656 |  | 2.74 | 2.09 | 2.37 | 2.13 | 0.76 | 0.86 | 0.77 | 1.13 | 1.02 | 0.9 |  | 0.00307737601832 | 0.002474892043977 | 0.012321231437134 | 0.007770806704275 | 0.007269906989861 | 0.005898354533322 | 0.009527391355249 | 0.006515121225318 | 0.157148040571828 | 0.209679483907598 | 0.399338355338207 | 0.229579272531908 | 0.156283496801795 | 0.134302835713114 | 0.596382005022025 | 0.754993671568465 | 0.795399970416607 | 0.920759126473464 | 0.712054999814876 | 0.729165073473675 |  | 0.4625731 | 1.269738 | 0.9653168 | 1.094774 | 0.9832705 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutathione metabolism | 13081-14-6; | 821 | 427.1
 | 285 |  |  | ophthalmate | LC/MS pos | 34592 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB05765 |  | 1.37 | 1.06 | 1.5 | 1.07 | 0.77 | 1.09 | 0.78 | 1.41 | 1 | 0.71 |  | 0.078520193572358 | 0.032383400031333 | 0.90075935031055 | 0.215942445910753 | 0.173101892680266 | 0.06749124466391 | 0.891874485862919 | 0.240588171978951 | 0.151964204116932 | 0.205731006656461 | 0.981130101548487 | 0.406563311768148 | 0.178920204313866 | 0.145817483802713 | 0.239303476855514 | 0.527857164488126 | 0.987072098592304 | 0.941853848113005 | 0.259974010875304 | 0.634836138201308 |  | 0.9254518 | 1.270351 | 0.9835741 | 1.390663 | 0.9862133 |  | 100 | 100 | 100 | 100 | 100 |  | Amino acid | Glutathione metabolism | 495-27-2; | 1457 | 290.1
 | 286 |  |  | S-lactoylglutathione | LC/MS pos | 15731 | C03451 | HMDB01066 |  | 0.17 | 0.92 | 1.43 | 1.33 | 5.32 | 8.24 | 7.66 | 1.55 | 1.44 | 0.93 |  | < 0.001 | 2.872451474e-06 | 0.716104535480532 | 0.185169842353492 | 0.019936475340926 | 0.012327376049468 | 0.070548865818444 | 0.033043472177909 | < 0.001 | 2.509822779e-05 | < 0.001 | 2.998606623e-06 | < 0.001 | 2.356692972e-06 | 0.001216130811666 | 0.032752187513195 | 0.011083717108043 | 0.422795336908257 | 0.467604837552353 | 0.675652003511518 |  | 0.890003 | 0.1542358 | 0.8204554 | 1.271257 | 1.180999 |  | 100 | 50 | 100 | 100 | 100 |  | Amino acid | Glutathione metabolism | 54398-03-7; | 1683 | 380.1
 | 296 | Peptide | Dipeptide | glycylvaline | LC/MS pos | 18357 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.76 | 0.64 | 0.64 | 0.71 | 0.84 | 0.85 | 0.94 | 1.01 | 1.11 | 1.11 |  | 0.219492955302882 | 0.073177436955837 | 0.049003766613687 | 0.022915024009424 | 0.051440610430552 | 0.02564598991212 | 0.125460397048204 | 0.052154195575307 | 0.242821207947543 | 0.279723033946127 | 0.254962286964419 | 0.171473457907921 | 0.722732479125533 | 0.379503272656306 | 0.976451345029717 | 0.824242568548748 | 0.297431669555286 | 0.747154107377373 | 0.313072888497007 | 0.641760721737393 |  | 1.457656 | 1.104597 | 0.9317341 | 0.9380656 | 1.038811 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | Dipeptide | 1963-21-9; | 1572 | 175.1
 | 297 |  |  | glycylglycine | GC/MS | 21029 | C02037 | HMDB11733 |  | 0.76 | 0.66 | 0.76 | 0.65 | 0.87 | 1 | 0.86 | 1.15 | 0.99 | 0.86 |  | 0.084088056734457 | 0.034240721762809 | 0.00608970229378 | 0.004484625613378 | 0.063434143323739 | 0.029978834979394 | 0.007291156290545 | 0.005310435667979 | 0.443036276408101 | 0.395627483239705 | 0.953814474501116 | 0.397987732797755 | 0.413618788979984 | 0.26318463246161 | 0.339337043522389 | 0.593510966667895 | 0.89759783834474 | 0.940482793519741 | 0.3225063120959 | 0.641760721737393 |  | 1.412282 | 1.07029 | 0.9258036 | 1.06803 | 0.9195623 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | Dipeptide | 556-50-3; | 1757.9 | 174
 | 299 |  |  | glycylproline | LC/MS pos | 22171 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00721 |  | 0.54 | 0.44 | 0.46 | 0.47 | 0.82 | 0.84 | 0.88 | 1.03 | 1.07 | 1.04 |  | < 0.001 | 8.1039901786e-05 | < 0.001 | 1.130027034e-06 | < 0.001 | 7.7858587159e-05 | < 0.001 | 2.916652677e-06 | 0.093924236408733 | 0.14168787500333 | 0.184595889289037 | 0.141068130519796 | 0.260397730383271 | 0.188749287254988 | 0.945333691629898 | 0.824242568548748 | 0.425263644546544 | 0.779495724687071 | 0.604450790255835 | 0.70513939170814 |  | 1.998353 | 1.081091 | 0.8877578 | 0.9114518 | 0.9484771 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | Dipeptide | 704-15-4; | 1115 | 173.1
 | 300 |  |  | glycylisoleucine | LC/MS pos | 36659 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.07 | 0.83 | 0.79 | 0.8 | 0.77 | 0.74 | 0.74 | 0.95 | 0.96 | 1.01 |  | 0.954675829878694 | 0.237190826374796 | 0.389224751216979 | 0.118193074202605 | 0.290162333184011 | 0.104968122878104 | 0.339429941790396 | 0.119338078236705 | 0.439246328990423 | 0.395311806889218 | 0.34551087132886 | 0.212047371856272 | 0.408281146530151 | 0.261215711774865 | 0.844684453980295 | 0.799475044382777 | 0.999218076650197 | 0.941853848113005 | 0.831128227294925 | 0.780986066601354 |  | 1.14395 | 1.224816 | 0.9490306 | 0.9013647 | 0.9105186 |  | 100 | 87.5 | 87.5 | 87.5 | 100 |  | Peptide | Dipeptide | 19461-38-2; | 2080 | 189.1
 | 301 |  |  | glycylleucine | LC/MS pos | 34398 | C02155 | HMDB00759 |  | 0.89 | 0.69 | 0.75 | 0.73 | 0.78 | 0.84 | 0.82 | 1.08 | 1.05 | 0.98 |  | 0.720529465217328 | 0.192353629063819 | 0.197588448161024 | 0.070639840515353 | 0.222543027601039 | 0.083561153152381 | 0.285831307182974 | 0.103692402462534 | 0.378094348440658 | 0.360774979555383 | 0.36441748757979 | 0.218553311132808 | 0.516275637685708 | 0.309878367808127 | 0.845596184051074 | 0.799475044382777 | 0.780005328330705 | 0.913626315059327 | 0.674098752875226 | 0.729165073473675 |  | 1.395666 | 1.240772 | 0.9689259 | 1.042031 | 1.020625 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | Dipeptide | 869-19-2; | 2236 | 189.1
 | 305 |  |  | glycyltyrosine | LC/MS pos | 33958 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.93 | 0.8 | 1.15 | 0.94 | 0.86 | 1.23 | 1.01 | 1.44 | 1.18 | 0.82 |  | 0.452799288904495 | 0.131521782769564 | 0.065781214482087 | 0.029100717282629 | 0.735929932710784 | 0.214018358797036 | 0.476423378337553 | 0.152596186688893 | 0.422919079236312 | 0.387217955766809 | 0.41972073481399 | 0.236873725225496 | 0.94343997008282 | 0.438548772223548 | 0.130603513651618 | 0.427640902347685 | 0.361078727197864 | 0.756659457016192 | 0.441420550884843 | 0.675652003511518 |  | 1.109071 | 1.033401 | 0.886903 | 1.274624 | 1.0427 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | Dipeptide | 658-79-7; | 1728 | 239.1
 | 339 |  |  | pro-hydroxy-pro | LC/MS pos | 35127 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB06695 |  | 1.24 | 1 | 0.97 | 1.03 | 0.81 | 0.78 | 0.84 | 0.96 | 1.03 | 1.07 |  | 0.144866430591845 | 0.053259292425272 | 0.839646447049898 | 0.206112974601282 | 0.968334306225963 | 0.262226102345887 | 0.600054282879674 | 0.179163339201516 | 0.1249307548947 | 0.172825646647908 | 0.058158788492166 | 0.063107201043085 | 0.126826673862448 | 0.116869011427276 | 0.83337369999111 | 0.799475044382777 | 0.707805298763341 | 0.885311757309551 | 0.496502394321872 | 0.686979568950524 |  | 0.9658579 | 1.192886 | 0.9706858 | 0.9322534 | 0.9973403 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | Dipeptide | 18684-24-7; | 960 | 229.2
 | 346 |  |  | cysteinylglycine | GC/MS | 35637 | C01419 | HMDB00078 |  | 0.82 | 0.72 | 0.79 | 0.68 | 0.88 | 0.95 | 0.82 | 1.08 | 0.93 | 0.86 |  | 0.086121385807548 | 0.034738895295714 | 0.007600140468048 | 0.005192729696232 | 0.062213367816862 | 0.029803290306587 | 0.002011948356179 | 0.001946570949978 | 0.420056003815735 | 0.385711342294978 | 0.706422616901402 | 0.334171864351877 | 0.203661890841172 | 0.160235748745332 | 0.737233321632983 | 0.784361225381772 | 0.599780089898525 | 0.863866642340944 | 0.443541949667935 | 0.675652003511518 |  | 1.237942 | 1.019982 | 0.8974694 | 0.9724478 | 0.8373354 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | Dipeptide | 19246-18-5; | 1763 | 257
 | 360 |  |  | aspartylleucine | LC/MS pos | 40068 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.36 | 1.11 | 0.99 | 1.14 | 0.81 | 0.72 | 0.84 | 0.89 | 1.03 | 1.16 |  | 0.204584060926518 | 0.069508693094065 | 0.627012637998426 | 0.169105625100766 | 0.863562460968094 | 0.241456087922038 | 0.454214034965626 | 0.14667023583543 | 0.405323364352613 | 0.375448039956371 | 0.211976918261389 | 0.150244098479333 | 0.515985532096366 | 0.309878367808127 | 0.709084494141551 | 0.779547983362194 | 0.808213943859373 | 0.920759126473464 | 0.502070538910428 | 0.689525354423654 |  | 0.7258012 | 0.9890804 | 0.8030989 | 0.7156555 | 0.8287361 |  | 50 | 87.5 | 62.5 | 75 | 75 |  | Peptide | Dipeptide | 3062-14-4; | 2310 | 247.2
 | 366 |  |  | isoleucylglycine | LC/MS pos | 40008 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.28 | 1.09 | 1.2 | 1.15 | 0.85 | 0.94 | 0.9 | 1.1 | 1.06 | 0.96 |  | 0.30353836707611 | 0.095496171894571 | 0.871057869764748 | 0.210463034951844 | 0.847366393070567 | 0.238830624737506 | 0.560860832059727 | 0.168957607312583 | 0.458616588280764 | 0.403572501833651 | 0.408038350570314 | 0.232320032196844 | 0.648536796721798 | 0.359605797997948 | 0.774944936579319 | 0.78879969702104 | 0.733202556358322 | 0.891514237383316 | 0.588507616628263 | 0.702558323479561 |  | 1.079936 | 1.377154 | 1.173079 | 1.29394 | 1.238511 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | Dipeptide | 868-28-0; | 1732 | 189.2
 | 402 |  | gamma-glutamyl | gamma-glutamylvaline | LC/MS pos | 32393 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB11172 |  | 1.56 | 1.15 | 2.22 | 1.52 | 0.74 | 1.43 | 0.98 | 1.94 | 1.32 | 0.68 |  | 0.056491232703163 | 0.024786066176827 | 0.533096090195176 | 0.149004513267387 | 0.063759410254778 | 0.030031439449467 | 0.408474607095112 | 0.134361404102708 | 0.183311794658288 | 0.230443348466098 | 0.495396439990202 | 0.263343736171849 | 0.576818973828114 | 0.33667277255559 | 0.12629188877119 | 0.425756881999945 | 0.677477669264051 | 0.884445181299594 | 0.310736074168918 | 0.641760721737393 |  | 0.8383712 | 1.305963 | 0.9620577 | 1.862145 | 1.273798 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | gamma-glutamyl | 2746-34-1; | 2040 | 247.2
 | 404 |  |  | gamma-glutamylleucine | LC/MS pos | 18369 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB11171 |  | 2.08 | 1.55 | 2.3 | 1.66 | 0.75 | 1.11 | 0.8 | 1.48 | 1.07 | 0.72 |  | < 0.001 | 0.000633616086525 | < 0.001 | 0.000865901799822 | 0.003400584839336 | 0.003509642072901 | 0.068189857791093 | 0.032270109089372 | 0.11162269895124 | 0.160732665568082 | 0.794550208033982 | 0.357125370419707 | 0.20578727790101 | 0.161362802047415 | 0.13729933591895 | 0.430034231451631 | 0.848980104903666 | 0.937002631069489 | 0.185578902216432 | 0.601914579254405 |  | 0.7056087 | 1.468246 | 1.097052 | 1.623324 | 1.174732 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | gamma-glutamyl | 2566-39-4; | 2744 | 261.2
 | 405 |  |  | gamma-glutamylisoleucine* | LC/MS pos | 34456 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB11170 |  | 1.78 | 1.35 | 2.13 | 1.81 | 0.76 | 1.2 | 1.02 | 1.58 | 1.35 | 0.85 |  | 0.004053668571677 | 0.003032602356377 | 0.08273616323175 | 0.034966244542672 | 0.00285923548268 | 0.003017493932477 | 0.094297678431054 | 0.041750489057298 | 0.151310304505728 | 0.205724915634744 | 0.46282458958105 | 0.251290454666009 | 0.713382295315009 | 0.377581757784527 | 0.055514526333063 | 0.326547937956604 | 0.519139505846785 | 0.821515998572421 | 0.376488658797706 | 0.648124983010399 |  | 0.7034601 | 1.248933 | 0.9482516 | 1.498785 | 1.276555 |  | 87.5 | 100 | 100 | 100 | 100 |  | Peptide | gamma-glutamyl |  | 2644 | 261.2
 | 409 |  |  | gamma-glutamylglutamate | LC/MS pos | 36738 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.5 | 0.54 | 0.6 | 0.58 | 1.08 | 1.21 | 1.16 | 1.12 | 1.07 | 0.96 |  | < 0.001 | 4.1671373283e-05 | < 0.001 | 0.000228308673245 | < 0.001 | 0.000601558985618 | < 0.001 | 0.000252675263331 | 0.556278279162146 | 0.448464990895158 | 0.096530176648527 | 0.088734583667328 | 0.176896511448982 | 0.145570772405564 | 0.310737024046306 | 0.579403073017963 | 0.494165278134663 | 0.809931988517749 | 0.692129041875073 | 0.729165073473675 |  | 1.764221 | 0.8767274 | 0.9475612 | 1.063909 | 1.017996 |  | 100 | 100 | 100 | 100 | 100 |  | Peptide | gamma-glutamyl | 1116-22-9; | 1036 | 277.1
 | 412 |  |  | gamma-glutamylphenylalanine | LC/MS pos | 33422 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00594 |  | 0.99 | 0.78 | 0.97 | 0.66 | 0.78 | 0.98 | 0.66 | 1.25 | 0.85 | 0.68 |  | 0.890716313512045 | 0.225173511906343 | 0.185339302227096 | 0.066843586957199 | 0.944586680013742 | 0.258447641768199 | 0.036437673940607 | 0.018805429765003 | 0.267019112297289 | 0.294952698770008 | 0.931438592641015 | 0.392933430643586 | 0.066598731678185 | 0.076403151722387 | 0.169989762629956 | 0.453379534018206 | 0.422741806132504 | 0.779495724687071 | 0.027716783135484 | 0.534064839509611 |  | 1.043756 | 1.034877 | 0.8095611 | 1.013496 | 0.6878747 |  | 100 | 87.5 | 87.5 | 100 | 62.5 |  | Peptide | gamma-glutamyl | 7432-24-8; | 2846 | 295.1
 | 413 |  |  | gamma-glutamyltyrosine | LC/MS pos | 2734 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.58 | 0.56 | 0.61 | 0.5 | 0.97 | 1.05 | 0.87 | 1.08 | 0.9 | 0.83 |  | 0.010422483774501 | 0.006420067422186 | 0.006321879174463 | 0.004600511163613 | 0.016669775860098 | 0.010933623347191 | 0.002407170611796 | 0.002180260651637 | 0.883077997670102 | 0.588951813315876 | 0.746177429815394 | 0.345882310708445 | 0.338558105800887 | 0.227219235868632 | 0.599598851225842 | 0.756502829223792 | 0.290393290357724 | 0.747154107377373 | 0.176430317849149 | 0.601914579254405 |  | 1.618823 | 0.9377211 | 0.904938 | 0.9802259 | 0.8169305 |  | 87.5 | 75 | 100 | 87.5 | 87.5 |  | Peptide | gamma-glutamyl | 7432-23-7; | 2073 | 311.2
 | 447 | Carbohydrate | Aminosugars metabolism | glucosamine | GC/MS | 18534 | C00329 | HMDB01514 |  | 0.4 | 0.4 | 0.39 | 0.35 | 1.02 | 0.99 | 0.89 | 0.97 | 0.88 | 0.9 |  | 0.001281754814429 | 0.001169718939578 | < 0.001 | 0.000808312804075 | < 0.001 | 0.000937107943151 | < 0.001 | 0.000344695681562 | 0.68336983952077 | 0.506993324350719 | 0.915786366380622 | 0.390240664252275 | 0.723216471184529 | 0.379503272656306 | 0.729755669682789 | 0.784361225381772 | 0.334500597724693 | 0.754036260387335 | 0.597002371504034 | 0.702558323479561 |  | 2.307275 | 0.9164203 | 0.9335253 | 0.9073673 | 0.8187231 |  | 100 | 87.5 | 100 | 100 | 100 |  | Carbohydrate | Aminosugars metabolism | 66-84-2; | 1833 | 203
 | 451 |  |  | N-acetylglucosamine 6-phosphate | LC/MS neg | 15107 | C00357 | HMDB02817 |  | 0.71 | 0.68 | 0.74 | 0.74 | 0.96 | 1.04 | 1.05 | 1.08 | 1.09 | 1.01 |  | 0.048164225717293 | 0.021745800536638 | 0.020287384014263 | 0.011601345820756 | 0.075568302398157 | 0.033996420616472 | 0.081477452426713 | 0.037144513812631 | 0.939342847746937 | 0.603341956742482 | 0.846936193012772 | 0.371053523181965 | 0.730263329534049 | 0.379503272656306 | 0.758635294665335 | 0.786583014371277 | 0.610419378903876 | 0.863866642340944 | 0.890359116840303 | 0.790619240461757 |  | 1.349654 | 0.9552372 | 0.9190463 | 0.9933972 | 1.002493 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Aminosugars metabolism | 102029-88-9; | 628 | 300.1
 | 457 |  |  | Isobar: UDP-acetylglucosamine, UDP-acetylgalactosamine | LC/MS neg | 38673 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.67 | 0.63 | 0.48 | 0.49 | 0.94 | 0.71 | 0.73 | 0.76 | 0.77 | 1.02 |  | 0.180342994683384 | 0.063059008158935 | 0.116322394795231 | 0.045999122603081 | 0.019557597517963 | 0.012255064682431 | 0.01565751159871 | 0.009602766541598 | 0.733839849406336 | 0.527455650132174 | 0.089781127065403 | 0.084751128030828 | 0.068025227777041 | 0.077657104013782 | 0.108771971227314 | 0.39176656493535 | 0.080499735646639 | 0.52310575172737 | 0.781360126129161 | 0.759367957560849 |  | 1.585429 | 1.066956 | 1.000499 | 0.7610626 | 0.7742373 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Aminosugars metabolism |  | 661 | 606.1
 | 472 |  | Fructose, mannose, galactose, starch, and sucrose metabolism | fructose | GC/MS | 31266 | C00095 | HMDB00660 |  | 0.52 | 0.39 | 0.33 | 0.35 | 0.74 | 0.63 | 0.67 | 0.84 | 0.9 | 1.07 |  | 0.013586607632179 | 0.007616242243056 | < 0.001 | 0.001003936300284 | < 0.001 | 0.000322843945934 | < 0.001 | 0.000459948251133 | 0.205679880492105 | 0.248693725725019 | 0.043578781264372 | 0.052721909292337 | 0.077806197944161 | 0.086698036365406 | 0.445741833370716 | 0.666086325692811 | 0.732457928613905 | 0.891514237383316 | 0.511290286019705 | 0.692917617711064 |  | 2.369163 | 1.228382 | 0.914452 | 0.7723171 | 0.8238167 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism | 57-48-7; | 1762.7 | 204
 | 482 |  |  | maltose | GC/MS | 15806 | C00208 | HMDB00163 |  | 0.36 | 0.18 | 0.11 | 0.15 | 0.49 | 0.3 | 0.41 | 0.61 | 0.84 | 1.39 |  | < 0.001 | 0.000472753035272 | 0.00104140221695 | 0.001143528722634 | < 0.001 | 0.001163990206977 | < 0.001 | 9.792790338e-06 | 0.033940070086782 | 0.068922725837181 | 0.010294601102604 | 0.017912415444041 | < 0.001 | 0.001684678815071 | 0.257789104436236 | 0.542389013355145 | 0.864090158119624 | 0.937287998980701 | 0.158995626419396 | 0.601914579254405 |  | 3.985606 | 1.444298 | 0.705099 | 0.4278793 | 0.5940722 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism | 6363-53-7; | 2142.1 | 204.1
 | 487 |  |  | mannose | GC/MS | 584 | C00159 | HMDB00169 |  | 0.49 | 0.34 | 0.27 | 0.29 | 0.69 | 0.56 | 0.59 | 0.81 | 0.86 | 1.07 |  | 0.016691981471369 | 0.008731089981036 | < 0.001 | 0.001061332708261 | < 0.001 | 0.000385363050345 | < 0.001 | 0.000438479920851 | 0.080113156152617 | 0.125639668205408 | 0.005848941899208 | 0.011506912932279 | 0.012575390883749 | 0.022879834419104 | 0.280737922645713 | 0.566187099307972 | 0.477764744871893 | 0.809931988517749 | 0.647515003154352 | 0.725874937757349 |  | 2.666426 | 1.311298 | 0.9051009 | 0.7299514 | 0.7783092 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism | 3458-28-4; | 1753.5 | 203.9
 | 495 |  |  | sorbitol | GC/MS | 15053 | C00794 | [NAME] |  | 0.49 | 0.38 | 0.37 | 0.39 | 0.77 | 0.75 | 0.79 | 0.98 | 1.02 | 1.05 |  | < 0.001 | 0.000756580044281 | < 0.001 | 0.000105638535006 | < 0.001 | 0.000113264351315 | < 0.001 | 0.000178469918542 | 0.092221478486619 | 0.139784849450822 | 0.067664925758967 | 0.071577385452259 | 0.133626895172068 | 0.121561280430131 | 0.801069395402598 | 0.799404399085483 | 0.936153262369067 | 0.941853848113005 | 0.754894895857793 | 0.756065328369603 |  | 2.384567 | 1.175316 | 0.9060442 | 0.8847136 | 0.9272577 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism | 6706-59-8; | 1843 | 319.1
 | 500 |  |  | tagatose | GC/MS | 35864 | C00795 | HMDB03418 |  | 1.46 | 1.16 | 0.91 | 1.03 | 0.79 | 0.62 | 0.71 | 0.78 | 0.89 | 1.14 |  | 0.108605985537674 | 0.042093142963567 | 0.566375409038638 | 0.155101557313577 | 0.730245790657745 | 0.213094434726461 | 0.550317644134841 | 0.168273716097635 | 0.357045378205528 | 0.348028142318909 | 0.048185785309745 | 0.056667128704328 | 0.143226516663224 | 0.126826215973906 | 0.370889509854822 | 0.612915495077984 | 0.846701767444618 | 0.937002631069489 | 0.264759630423595 | 0.635788028593878 |  | 0.9770273 | 1.429296 | 1.134586 | 0.888666 | 1.010312 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism |  | 1770 | 217.1
 | 502 |  |  | maltotriose | GC/MS | 15877 | C01835 | HMDB01262 |  | 0.14 | 0.02 | 0.01 | 0.02 | 0.16 | 0.06 | 0.12 | 0.41 | 0.77 | 1.88 |  | 0.00287531757449 | 0.002341663082041 | < 0.001 | 0.000312533171671 | < 0.001 | 6.8715826277e-05 | < 0.001 | 2.3974765548e-05 | 0.007084634275701 | 0.024623902629146 | < 0.001 | 0.001471965759691 | < 0.001 | 0.001350320684007 | 0.181756347044864 | 0.475729344451002 | 0.862999952785085 | 0.937287998980701 | 0.167478705756872 | 0.601914579254405 |  | 31.59264 | 4.556947 | 0.7069969 | 0.2912195 | 0.5462216 |  | 100 | 100 | 87.5 | 100 | 100 |  | Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism | 1109-28-0; | 2419 | 204
 | 508 |  |  | maltotetraose | LC/MS neg | 15910 | C02052 | HMDB01296 |  | 0.1 | 0.02 | 0.02 | 0.03 | 0.26 | 0.22 | 0.27 | 0.84 | 1.04 | 1.23 |  | 0.011571798093932 | 0.006737584902018 | < 0.001 | 0.001108355306543 | < 0.001 | 0.001006496098616 | 0.001469484476665 | 0.001534165451788 | 0.028233460650565 | 0.062546409690369 | 0.012995213441913 | 0.021206012062804 | 0.034331271026326 | 0.047590684815845 | 0.642627808479553 | 0.770693685851098 | 0.679851137872587 | 0.884445181299594 | 0.341720375598128 | 0.64753662645539 |  | 32.93806 | 3.17833 | 0.8168173 | 0.6863456 | 0.8467788 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism | 34612-38-9; | 965 | 665.1
 | 510 |  |  | maltopentaose | LC/MS neg | 35163 | C06218 | HMDB12254 |  | 0.27 | 0.27 | 0.27 | 0.27 | 1 | 1 | 1 | 1 | 1 | 1 |  | 0.016408241313564 | 0.008648801456127 | 0.016408241313564 | 0.00979583398786 | 0.016408241313564 | 0.010824002452691 | 0.016408241313564 | 0.009885864849453 |  |  |  |  |  |  |  |  |  |  |  |  |  | 0.7145501 | 0.1952017 | 0.1952017 | 0.1952017 | 0.1952017 |  | 62.5 | 12.5 | 0 | 0 | 0 |  | Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism | 34620-76-3; | 1100 | 827.1
 | 511 |  |  | maltohexaose | LC/MS neg | 35170 | C01936 | HMDB12253 |  | 0.46 | 0.46 | 0.46 | 0.46 | 1 | 1 | 1 | 1 | 1 | 1 |  | 0.033178923776862 | 0.016171639260839 | 0.033178923776862 | 0.01679200764965 | 0.033178923776862 | 0.018553963375489 | 0.033178923776862 | 0.017795107088082 |  |  |  |  |  |  |  |  |  |  |  |  |  | 0.6561741 | 0.3010881 | 0.3010881 | 0.3010881 | 0.3010881 |  | 50 | 12.5 | 0 | 0 | 0 |  | Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism | 34620-77-4; | 1224 | 989.1
 | 514.1 |  |  | [NAME] | LC/MS pos | 40480 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.92 | 0.92 | 0.92 | 0.92 | 1 | 1 | 1 | 1 | 1 | 1 |  | 0.016202265787076 | 0.008601324361941 | 0.016202265787076 | 0.009742127904618 | 0.016202265787076 | 0.010824002452691 | 0.016202265787076 | 0.009804959511099 |  |  |  |  |  |  |  |  |  |  |  |  |  | 1.011635 | 0.9327151 | 0.9327151 | 0.9327151 | 0.9327151 |  | 100 | 0 | 0 | 0 | 0 |  | Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism | 709-50-2; | 1094.3 | 212.1
 | 515 |  | Glycolysis, gluconeogenesis, pyruvate metabolism | 1,5-anhydroglucitol (1,5-AG) | GC/MS | 20675 | C07326 | HMDB02712 |  | 1.03 | 0.9 | 0.99 | 0.87 | 0.87 | 0.96 | 0.84 | 1.1 | 0.97 | 0.88 |  | 0.624985083919129 | 0.17220606740084 | 0.637939293067089 | 0.171676066887767 | 0.882285437373395 | 0.245225627567887 | 0.485267022798836 | 0.153275017457177 | 0.115500502905072 | 0.163494899764994 | 0.649237237829402 | 0.31783393382276 | 0.059086754979538 | 0.069497039209394 | 0.359533952920305 | 0.603618329965692 | 0.593090272981585 | 0.863866642340944 | 0.219197311229135 | 0.601914579254405 |  | 1.04651 | 1.079868 | 0.9400197 | 1.035095 | 0.9119795 |  | 75 | 100 | 100 | 100 | 100 |  | Carbohydrate | Glycolysis, gluconeogenesis, pyruvate metabolism | 154-58-5; | 1788.7 | 217
 | 517 |  |  | glycerate | GC/MS | 1572 | C00258 | HMDB00139 |  | 0.71 | 0.96 | 1.08 | 1.14 | 1.36 | 1.53 | 1.61 | 1.12 | 1.18 | 1.06 |  | 0.003759738436211 | 0.002862639138848 | 0.710682799708909 | 0.184782681912583 | 0.320772208107497 | 0.113697173820329 | 0.095858441976738 | 0.041943024569993 | 0.013467812652934 | 0.039142168044886 | < 0.001 | 0.000532778546427 | < 0.001 | 0.000224546395196 | 0.192076876119619 | 0.484850055581086 | 0.060779209385121 | 0.470637999673923 | 0.331323548133878 | 0.641760721737393 |  | 1.031583 | 0.7305337 | 0.995178 | 1.116235 | 1.179201 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Glycolysis, gluconeogenesis, pyruvate metabolism | 600-19-1; | 1360.7 | 189
 | 519 |  |  | glucose-6-phosphate (G6P) | GC/MS | 31260 | [NAME] | HMDB01401 |  | 1.37 | 1.2 | 1.02 | 0.85 | 0.88 | 0.74 | 0.62 | 0.84 | 0.71 | 0.84 |  | 0.078979742342718 | 0.032393735606905 | 0.132042431195242 | 0.051227227539614 | 0.923412827755508 | 0.253643142339115 | 0.325773443567067 | 0.115726665737173 | 0.479207637918229 | 0.414737000339439 | 0.09140492143421 | 0.085898752912706 | 0.015502367136074 | 0.026546083926945 | 0.154972044710276 | 0.436336309713538 | 0.024177025359096 | 0.422795336908257 | 0.283569313540036 | 0.641760721737393 |  | 0.949908 | 1.302211 | 1.142418 | 0.964479 | 0.8109589 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Glycolysis, gluconeogenesis, pyruvate metabolism | 103192-55-8; | 2042.7 | 387.2
 | 521 |  |  | glucose | GC/MS | 20488 | C00293 | HMDB00122 |  | 0.61 | 0.52 | 0.44 | 0.5 | 0.84 | 0.72 | 0.82 | 0.86 | 0.97 | 1.13 |  | 0.001418222231991 | 0.001267294278434 | < 0.001 | 0.000448828119847 | < 0.001 | 8.2405557579e-05 | < 0.001 | 0.000151599057016 | 0.162227955613328 | 0.212365829306173 | 0.01426510655536 | 0.022578166764039 | 0.053704053194278 | 0.0647239411014 | 0.301942737037826 | 0.578555341097162 | 0.989489395604733 | 0.941853848113005 | 0.188535500591016 | 0.601914579254405 |  | 1.796943 | 1.104717 | 0.9270301 | 0.7966095 | 0.9031298 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Glycolysis, gluconeogenesis, pyruvate metabolism | 50-99-7; | 1866.8 | 217.1
 | 529 |  |  | 3-phosphoglycerate | GC/MS | 1414 | C00597 | HMDB00807 |  | 0.98 | 1.44 | 1.58 | 1.73 | 1.48 | 1.62 | 1.78 | 1.09 | 1.2 | 1.1 |  | 0.860232029069695 | 0.218324928421282 | 0.001178957948587 | 0.001218422627441 | < 0.001 | 0.000865141539908 | < 0.001 | 0.000130712143508 | < 0.001 | 0.000795798407766 | < 0.001 | 0.000503274430479 | < 0.001 | 3.4299008122e-05 | 0.358508824837939 | 0.603618329965692 | 0.027612038145616 | 0.426283234962453 | 0.278738520524831 | 0.641760721737393 |  | 0.765556 | 0.7465876 | 1.101656 | 1.205942 | 1.3252 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Glycolysis, gluconeogenesis, pyruvate metabolism | 80731-10-8; | 1756 | 299
 | 532 |  |  | 1,3-dihydroxyacetone | GC/MS | 35963 | C00184 | HMDB01882 |  | 0.7 | 0.45 | 0.57 | 0.54 | 0.64 | 0.81 | 0.77 | 1.28 | 1.21 | 0.95 |  | 0.275684991869706 | 0.088684722173756 | 0.010726862099916 | 0.007026128705544 | 0.067829788707799 | 0.031318070856437 | 0.046103756346267 | 0.0228457658265 | 0.01728066830222 | 0.046429105777649 | 0.273879791737667 | 0.180572996467079 | 0.165725040832626 | 0.138830437531516 | 0.125580911904148 | 0.425756881999945 | 0.155669147481331 | 0.580428362557701 | 0.788812251970288 | 0.762151674072002 |  | 1.728325 | 1.215385 | 0.7725493 | 0.9896249 | 0.9370385 |  | 87.5 | 100 | 100 | 100 | 100 |  | Carbohydrate | Glycolysis, gluconeogenesis, pyruvate metabolism | 62147-49-3; | 1263 | 103
 | 534 |  |  | phosphoenolpyruvate (PEP) | GC/MS | 597 | C00074 | HMDB00263 |  | 0.67 | 1.43 | 1.61 | 1.64 | 2.13 | 2.39 | 2.44 | 1.12 | 1.15 | 1.02 |  | 0.055893519086202 | 0.024711825823334 | 0.025584142970236 | 0.0135892184536 | 0.0156573236837 | 0.010616840823898 | 0.00604251341757 | 0.004616821502846 | < 0.001 | 0.000900201930548 | < 0.001 | 0.00040925931952 | < 0.001 | 0.000159418928727 | 0.527731256618443 | 0.714566027037165 | 0.241451467415433 | 0.696775472130724 | 0.741922616869105 | 0.746715450806833 |  | 0.7622003 | 0.5135328 | 1.092138 | 1.226127 | 1.252924 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Glycolysis, gluconeogenesis, pyruvate metabolism | 10526-80-4; | 1595.4 | 369
 | 535 |  |  | pyruvate | GC/MS | 599 | C00022 | HMDB00243 |  | 0.44 | 0.67 | 0.51 | 0.73 | 1.53 | 1.16 | 1.65 | 0.76 | 1.08 | 1.43 |  | < 0.001 | 0.000349905318254 | 0.035393593048162 | 0.017766634623555 | 0.004459258818613 | 0.004200727725227 | 0.026362086595262 | 0.01478906509711 | 0.068579044577764 | 0.113152592904574 | 0.71442040968139 | 0.336207191260677 | 0.005610885259257 | 0.012212060959468 | 0.204229019691777 | 0.488991169200504 | 0.460554282058296 | 0.808762393783195 | 0.049028243284404 | 0.575221325521478 |  | 1.346094 | 0.592551 | 0.9056209 | 0.6864957 | 0.979562 |  | 100 | 62.5 | 100 | 62.5 | 100 |  | Carbohydrate | Glycolysis, gluconeogenesis, pyruvate metabolism | 127-17-3; | 1130.6 | 217
 | 536 |  |  | lactate | GC/MS | 527 | C00186 | HMDB00190 |  | 0.77 | 0.54 | 0.52 | 0.6 | 0.71 | 0.68 | 0.78 | 0.96 | 1.11 | 1.15 |  | 0.134822871705564 | 0.050397867765281 | 0.004337431511029 | 0.003486485005249 | 0.001387719918627 | 0.001723738970164 | 0.007299775598703 | 0.005310435667979 | 0.018585183835506 | 0.04799364925489 | < 0.001 | 0.00070678031177 | 0.008444859600722 | 0.017251582361484 | 0.985801206557628 | 0.824242568548748 | 0.367271161686508 | 0.756659457016192 | 0.155631510433458 | 0.601914579254405 |  | 1.58357 | 1.216696 | 0.8623396 | 0.8294315 | 0.9543424 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Glycolysis, gluconeogenesis, pyruvate metabolism | 79-33-4; | 1102.8 | 116.9
 | 539 |  |  | glucuronate | GC/MS | 15443 | C00191 | HMDB00127 |  | 0.84 | 1.23 | 1.35 | 1.28 | 1.46 | 1.61 | 1.53 | 1.1 | 1.05 | 0.95 |  | 0.560467178381157 | 0.158154305489455 | 0.235071561867175 | 0.080305297328332 | 0.135101427888558 | 0.055125128936182 | 0.095989911400584 | 0.041943024569993 | 0.027324596643816 | 0.061645306120041 | 0.015475628347985 | 0.024131250076433 | < 0.001 | 0.002842510322517 | 0.652391571910246 | 0.770693685851098 | 0.6051271104575 | 0.863866642340944 | 0.952313986395749 | 0.80315509384266 |  | 0.9026374 | 0.7574352 | 1.108092 | 1.22028 | 1.158007 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Glycolysis, gluconeogenesis, pyruvate metabolism | 207300-70-7; | 1886.5 | 217
 | 545 |  | Nucleotide sugars, pentose metabolism | 6-phosphogluconate | LC/MS neg | 15442 | C00345 | HMDB01316 |  | 0.89 | 0.78 | 0.79 | 0.74 | 0.88 | 0.89 | 0.83 | 1.01 | 0.94 | 0.93 |  | 0.752882894320827 | 0.198113580939876 | 0.312244258068339 | 0.099742519325926 | 0.311371565654896 | 0.110925360887321 | 0.190024849492745 | 0.074466932057661 | 0.258541860836085 | 0.291473354395385 | 0.313544251365754 | 0.195445759699236 | 0.144197253983075 | 0.127202139685355 | 0.87276038069804 | 0.808313547401108 | 0.607649449175504 | 0.863866642340944 | 0.779558920369474 | 0.759367957560849 |  | 1.187735 | 1.061291 | 0.9320439 | 0.94112 | 0.8763211 |  | 87.5 | 100 | 100 | 100 | 87.5 |  | Carbohydrate | Nucleotide sugars, pentose metabolism | 921-62-0;53411-70-4; | 588 | 275.1
 | 548 |  |  | ribitol | GC/MS | 15772 | C00474 | HMDB00508 |  | 0.48 | 0.54 | 0.55 | 0.39 | 1.11 | 1.15 | 0.81 | 1.03 | 0.73 | 0.71 |  | < 0.001 | 0.000485323478139 | < 0.001 | 0.000604559904301 | < 0.001 | 0.000554952634025 | < 0.001 | 9.7808314277e-05 | 0.462661410902125 | 0.406004067622161 | 0.296935352094984 | 0.189990246275328 | 0.264843407725334 | 0.190364301959722 | 0.746453252713374 | 0.785455918738117 | 0.058563643399643 | 0.470637999673923 | 0.02749335530445 | 0.534064839509611 |  | 1.834248 | 0.8880831 | 0.9881644 | 1.017354 | 0.7204626 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Nucleotide sugars, pentose metabolism | 488-81-3; | 1692.4 | 217
 | 551 |  |  | sedoheptulose-7-phosphate | GC/MS | 35649 | C05382 | HMDB01068 |  | 0.83 | 0.9 | 0.62 | 0.78 | 1.08 | 0.74 | 0.94 | 0.69 | 0.87 | 1.27 |  | 0.534041141813952 | 0.151695322961719 | 0.809964345037681 | 0.200831035387194 | 0.212102148841715 | 0.080680173602742 | 0.678530529167211 | 0.197867761932862 | 0.692299878851112 | 0.510238703241031 | 0.601350137319407 | 0.302023772377603 | 0.750408169189559 | 0.384085144665475 | 0.31939467591377 | 0.582655598614871 | 0.890919308005602 | 0.939125688894624 | 0.309964331316956 | 0.641760721737393 |  | 1.117201 | 0.926129 | 1.000989 | 0.6897861 | 0.8727345 |  | 87.5 | 62.5 | 75 | 87.5 | 87.5 |  | Carbohydrate | Nucleotide sugars, pentose metabolism | 2646-35-7; | 2070 | 691.35
 | 552 |  |  | gluconate | GC/MS | 587 | C00257 | HMDB00625 |  | 0.75 | 0.99 | 0.89 | 0.86 | 1.33 | 1.19 | 1.14 | 0.9 | 0.86 | 0.96 |  | 0.047980207853588 | 0.021738994973714 | 0.825771264209226 | 0.203519404196038 | 0.317803813230954 | 0.112930208504557 | 0.148942318810799 | 0.060216785526055 | 0.087523840152158 | 0.13394617845096 | 0.392784640330961 | 0.228407953917446 | 0.34297484952363 | 0.228210479490949 | 0.44333788495332 | 0.666086325692811 | 0.299390342862475 | 0.747154107377373 | 0.953259757673747 | 0.80315509384266 |  | 1.071649 | 0.8026665 | 1.064319 | 0.9550505 | 0.9177976 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Nucleotide sugars, pentose metabolism | 527-07-1; | 1879.4 | 333
 | 554 |  |  | ribose | GC/MS | 12080 | C00121 | HMDB00283 |  | 0.39 | 0.39 | 0.51 | 0.45 | 0.98 | 1.31 | 1.15 | 1.33 | 1.17 | 0.88 |  | < 0.001 | 0.000119183656785 | < 0.001 | 2.136535814e-06 | < 0.001 | 0.000443832146325 | < 0.001 | 8.525185073e-06 | 0.857313816921257 | 0.581563646773655 | 0.11736065060483 | 0.100427510870198 | 0.237046769697397 | 0.177506804565766 | 0.067927486169815 | 0.339190092841548 | 0.121243759314281 | 0.536496424487042 | 0.439048953738157 | 0.675652003511518 |  | 2.012392 | 0.7889269 | 0.7761174 | 1.031245 | 0.9093398 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Nucleotide sugars, pentose metabolism | 50-69-1; | 1639.2 | 204
 | 557 |  |  | ribose 5-phosphate | GC/MS | 561 | C00117 | HMDB00618 |  | 0.49 | 0.28 | 0.56 | 0.46 | 0.58 | 1.15 | 0.94 | 2 | 1.63 | 0.82 |  | 0.061910497837906 | 0.026732754457096 | 0.00255149775396 | 0.00227385468201 | 0.122535262385262 | 0.05073521540804 | 0.045343721237294 | 0.022633154465393 | 0.119118862825862 | 0.166873521303344 | 0.800267456803467 | 0.357125370419707 | 0.903005658636157 | 0.426564693307601 | 0.101415813678065 | 0.389918676517815 | 0.13255340931811 | 0.555670376676593 | 0.710925170014555 | 0.729165073473675 |  | 1.757426 | 0.8560467 | 0.4945696 | 0.9869297 | 0.8065463 |  | 87.5 | 75 | 50 | 62.5 | 87.5 |  | Carbohydrate | Nucleotide sugars, pentose metabolism | 18265-46-8;108321-05-7; | 1928.4 | 315.1
 | 559 |  |  | ribulose | GC/MS | 35855 | C00309 | HMDB00621,HMDB03371 |  | 0.84 | 0.87 | 0.88 | 0.87 | 1.03 | 1.04 | 1.04 | 1.01 | 1 | 0.99 |  | 0.215951035866214 | 0.072363530024202 | 0.278740253082241 | 0.091171362977093 | 0.342484427977475 | 0.119284470052702 | 0.292562298660789 | 0.105296334849609 | 0.572440643493112 | 0.456322936738162 | 0.624395470809592 | 0.31073106543877 | 0.541496733457099 | 0.320067054293117 | 0.983703508994206 | 0.824242568548748 | 0.935241836093434 | 0.941853848113005 | 0.939003994177161 | 0.80315509384266 |  | 1.15817 | 0.9740983 | 1.005461 | 1.017257 | 1.008771 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Nucleotide sugars, pentose metabolism | 488-84-6; | 1662 | 306.1
 | 561 |  |  | Isobar: ribulose 5-phosphate, xylulose 5-phosphate | GC/MS | 37288 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.43 | 0.74 | 1.3 | 1.19 | 0.51 | 0.91 | 0.83 | 1.76 | 1.61 | 0.91 |  | 0.814303578777848 | 0.209981713333284 | 0.272414031503517 | 0.089797990790531 | 0.998719566050974 | 0.268547539133329 | 0.71988471087981 | 0.204268441162329 | 0.326144805975175 | 0.335454837195244 | 0.847844756463786 | 0.371053523181965 | 0.636993836803319 | 0.358052647799538 | 0.428526396037782 | 0.660017542482322 | 0.635552184187421 | 0.863866642340944 | 0.774950269088933 | 0.759367957560849 |  | 1.057144 | 1.516286 | 0.7802421 | 1.375941 | 1.258878 |  | 100 | 87.5 | 75 | 75 | 75 |  | Carbohydrate | Nucleotide sugars, pentose metabolism |  | 1935 | 357.2
 | 565 |  |  | xylitol | GC/MS | 4966 | C00379 | HMDB00568 |  | 0.64 | 0.8 | 0.88 | 0.87 | 1.25 | 1.37 | 1.37 | 1.1 | 1.09 | 1 |  | 0.015984556393249 | 0.008587128720157 | 0.180623065651271 | 0.065526974042266 | 0.418563679356984 | 0.138646983525788 | 0.378526594168203 | 0.12846056937149 | 0.187067484997003 | 0.234235165016422 | 0.044397432808491 | 0.053101952293057 | 0.137589973526561 | 0.123716714076987 | 0.474323882795146 | 0.681652329955189 | 0.738234094982946 | 0.893157803590117 | 0.793333277494496 | 0.763327676835017 |  | 1.23975 | 0.7939776 | 0.9949011 | 1.08962 | 1.084744 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Nucleotide sugars, pentose metabolism | 87-99-0; | 1677.6 | 307.2
 | 570 |  |  | xylonate | GC/MS | 35638 | C00502,C05411 | http://www.hmdb.ca/metabolites/ |  | 0.43 | 1.1 | 1.29 | 1.43 | 2.53 | 2.99 | 3.3 | 1.18 | 1.3 | 1.1 |  | < 0.001 | 5.0590664468e-05 | 0.772793670640634 | 0.195960446410549 | 0.129638774400524 | 0.053050431203661 | 0.016582071758058 | 0.009946778220851 | < 0.001 | 0.001127833119081 | < 0.001 | 5.3002185491e-05 | < 0.001 | 1.1719730689e-05 | 0.332810034182863 | 0.590171585251138 | 0.104504355675538 | 0.52310575172737 | 0.470292901805389 | 0.675652003511518 |  | 1.025 | 0.4430811 | 1.122483 | 1.324325 | 1.462559 |  | 100 | 100 | 100 | 100 | 100 |  | Carbohydrate | Nucleotide sugars, pentose metabolism | 73686-31-7; | 1722 | 292
 | 576 |  | Nucleotide sugars | UDP-galactose | GC/MS | 15860 | C00052 | HMDB000302 |  | 1.11 | 0.99 | 0.89 | 0.96 | 0.89 | 0.8 | 0.86 | 0.89 | 0.96 | 1.08 |  | 0.359372941951118 | 0.109579320012142 | 0.848317192033077 | 0.207413435857457 | 0.59106126840714 | 0.183139667418109 | 0.881793567749308 | 0.238338883887882 | 0.292844502499854 | 0.316623950914458 | 0.065978133822718 | 0.070145551578306 | 0.212824638978417 | 0.164663280487847 | 0.340729421288 | 0.593510966667895 | 0.681063404672868 | 0.884445181299594 | 0.664367757586526 | 0.729165073473675 |  | 1.011753 | 1.121765 | 1.00313 | 0.8971823 | 0.966986 |  | 75 | 100 | 100 | 100 | 100 |  | Carbohydrate | Nucleotide sugars | 2956-16-3;91183-98-1; | 1973 | 243.1
 | 579 | Energy | Krebs cycle | citrate | GC/MS | 1564 | C00158 | HMDB00094 |  | 1.4 | 0.79 | 0.64 | 0.59 | 0.56 | 0.46 | 0.42 | 0.81 | 0.74 | 0.92 |  | 0.061000570456579 | 0.026428537097521 | 0.276720379374373 | 0.090752057285531 | 0.168317311984003 | 0.06599239376675 | 0.094328201688438 | 0.041750489057298 | 0.024986571608065 | 0.058202557856233 | < 0.001 | 0.001005356060609 | < 0.001 | 0.000205552489416 | 0.854142254615493 | 0.799475044382777 | 0.985388987600475 | 0.941853848113005 | 0.702313592151247 | 0.729165073473675 |  | 1.281355 | 1.795985 | 1.011241 | 0.8215796 | 0.7531897 |  | 100 | 100 | 100 | 100 | 100 |  | Energy | Krebs cycle | 77-92-9; | 1763.4 | 273.1
 | 590 |  |  | succinate | LC/MS neg | 1437 | C00042 | HMDB00254 |  | 1.13 | 1.14 | 1.32 | 0.95 | 1.01 | 1.17 | 0.84 | 1.15 | 0.83 | 0.72 |  | 0.397965112239687 | 0.118812848517499 | 0.271782019685263 | 0.089797990790531 | 0.015080365442514 | 0.010337570624823 | 0.389275274880503 | 0.130257662048944 | 0.888022466895811 | 0.591005210065424 | 0.202984428050518 | 0.146333974440561 | 0.217672736635884 | 0.166205561395423 | 0.231234353195119 | 0.515557542413969 | 0.145037609474635 | 0.569851795642191 | 0.008516035919619 | 0.317908024139839 |  | 0.9486094 | 1.070105 | 1.081897 | 1.248369 | 0.9025261 |  | 100 | 100 | 100 | 100 | 87.5 |  | Energy | Krebs cycle | 110-15-6; | 618 | 117.1
 | 591 |  |  | succinylcarnitine | LC/MS pos | 37058 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.49 | 3.73 | 3.51 | 3.44 | 1.5 | 1.41 | 1.38 | 0.94 | 0.92 | 0.98 |  | < 0.001 | 0.000124000345125 | < 0.001 | 1.1732454417e-05 | < 0.001 | 2.9336048417e-05 | < 0.001 | 2.3974765548e-05 | 0.003748563734171 | 0.015095623711144 | 0.008482211850058 | 0.015261195321925 | 0.031261475666473 | 0.044664576842223 | 0.6058009450339 | 0.758463498308331 | 0.488378817176914 | 0.809931988517749 | 0.793747177475085 | 0.763327676835017 |  | 0.3311163 | 0.8256838 | 1.235861 | 1.163403 | 1.14015 |  | 100 | 100 | 100 | 100 | 100 |  | Energy | Krebs cycle |  | 1401 | 262.1
 | 592 |  |  | succinyl CoA | LC/MS neg | 36857 | C00091 | HMDB01022 |  | 0.56 | 0.51 | 0.45 | 0.52 | 0.91 | 0.8 | 0.93 | 0.88 | 1.02 | 1.15 |  | 0.137593479018503 | 0.051170237203333 | 0.073508081014524 | 0.031609356489498 | 0.034433810623535 | 0.019179296255764 | 0.084240217727922 | 0.038141435709251 | 0.556348328430684 | 0.448464990895158 | 0.279053883280744 | 0.182430520051739 | 0.700509178022281 | 0.373313543777671 | 0.707317256679453 | 0.779547983362194 | 0.787483917471744 | 0.917886600636041 | 0.455527387285577 | 0.675652003511518 |  | 2.137516 | 1.201004 | 1.092129 | 0.96275 | 1.111567 |  | 100 | 100 | 100 | 100 | 100 |  | Energy | Krebs cycle | 108347-97-3; | 1800 | 866.1
 | 594 |  |  | fumarate | GC/MS | 1643 | C00122 | HMDB00134 |  | 0.77 | 0.8 | 0.79 | 0.68 | 1.03 | 1.02 | 0.88 | 0.99 | 0.86 | 0.86 |  | 0.016016349513475 | 0.008587128720157 | 0.011315894591488 | 0.007286217452752 | 0.020960595809804 | 0.012791571689011 | < 0.001 | 0.000456491958249 | 0.631755267238829 | 0.48576471369183 | 0.80176723938725 | 0.357125370419707 | 0.226981359749027 | 0.171743519546605 | 0.839755204563207 | 0.799475044382777 | 0.039179905360653 | 0.46182390860505 | 0.125242549334698 | 0.601914579254405 |  | 1.253474 | 0.9714191 | 1.000961 | 0.9934556 | 0.8559754 |  | 100 | 100 | 100 | 100 | 100 |  | Energy | Krebs cycle | 100-17-8; | 1382.1 | 245
 | 598 |  |  | malate | GC/MS | 1303 | C00149 | HMDB00156 |  | 0.91 | 0.86 | 0.86 | 0.78 | 0.95 | 0.94 | 0.86 | 1 | 0.91 | 0.91 |  | 0.204730551240676 | 0.069508693094065 | 0.037518769238375 | 0.018392458255277 | 0.058057302276441 | 0.028100042427398 | 0.002150714679489 | 0.001993736106099 | 0.431801605774379 | 0.390832362026053 | 0.435725359798875 | 0.242653374194002 | 0.035086262504975 | 0.047783983470801 | 0.886280519240366 | 0.808646095851868 | 0.082375377969991 | 0.52310575172737 | 0.211204499589773 | 0.601914579254405 |  | 1.151143 | 1.046045 | 0.9904619 | 0.9871538 | 0.8993132 |  | 100 | 100 | 100 | 100 | 100 |  | Energy | Krebs cycle | 6915-15-7; | 1502 | 233
 | 602 |  | Oxidative phosphorylation | phosphate | GC/MS | 11438 | C00009 | HMDB01429 |  | 0.86 | 0.89 | 0.9 | 0.86 | 1.04 | 1.05 | 1.01 | 1.01 | 0.96 | 0.96 |  | < 0.001 | 0.000335694204406 | 0.00289824005148 | 0.002527911370833 | < 0.001 | 0.00055059539984 | < 0.001 | 0.000193499042192 | 0.267214464029636 | 0.294952698770008 | 0.124644904694011 | 0.104536054801132 | 0.862992140273585 | 0.416214627572634 | 0.801132896783126 | 0.799404399085483 | 0.30041309385717 | 0.747154107377373 | 0.123509936095449 | 0.601914579254405 |  | 1.115129 | 0.9569664 | 0.9977812 | 1.004096 | 0.9618751 |  | 100 | 100 | 100 | 100 | 100 |  | Energy | Oxidative phosphorylation | 7664-38-2 ; | 1307.7 | 298.9
 | 604 | Lipid | Essential fatty acid | linoleate (18:2n6) | LC/MS neg | 1105 | C01595 | HMDB00673 |  | 0.67 | 0.57 | 0.44 | 0.5 | 0.85 | 0.66 | 0.74 | 0.78 | 0.87 | 1.12 |  | 0.019760715810218 | 0.009971446629114 | 0.002523888306225 | 0.002265667456401 | < 0.001 | 0.000275515168068 | < 0.001 | 0.000774648162274 | 0.046389535556471 | 0.085940568597529 | < 0.001 | 0.001497194413852 | < 0.001 | 0.002842510322517 | 0.009555655429774 | 0.11843438118863 | 0.024771769280263 | 0.422795336908257 | 0.150730785405654 | 0.601914579254405 |  | 1.784226 | 1.200845 | 1.019793 | 0.7926481 | 0.8854182 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Essential fatty acid | 60-33-3; | 5533 | 279.3
 | 608 |  |  | linolenate [alpha or gamma; (18:3n3 or 6)] | LC/MS neg | 34035 | C06427 | HMDB01388 |  | 0.36 | 0.2 | 0.14 | 0.18 | 0.55 | 0.39 | 0.48 | 0.71 | 0.88 | 1.25 |  | < 0.001 | 0.000534943064156 | < 0.001 | 6.167315055e-05 | < 0.001 | 1.3499174241e-05 | < 0.001 | 4.0869837857e-05 | < 0.001 | 0.001723533428503 | < 0.001 | 2.148135658e-05 | < 0.001 | 0.000224546395196 | 0.002077556154905 | 0.048638088370055 | 0.113758656084209 | 0.528114298266952 | 0.030958791255383 | 0.534064839509611 |  | 4.777427 | 1.731687 | 0.9529366 | 0.6732488 | 0.839828 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Essential fatty acid |  | 5450 | 277.3
 | 609 |  |  | dihomo-linolenate (20:3n3 or n6) | LC/MS neg | 35718 | C03242 | HMDB02925 |  | 2.22 | 1.13 | 0.44 | 0.79 | 0.51 | 0.2 | 0.35 | 0.39 | 0.69 | 1.79 |  | 0.006555411608774 | 0.004370572552375 | 0.51760294634212 | 0.145270037146542 | < 0.001 | 0.000533737741726 | 0.173530868560031 | 0.068592895067038 | 0.01729410207203 | 0.046429105777649 | < 0.001 | 7.8060283612e-05 | < 0.001 | 0.002899857022252 | < 0.001 | 0.005952716817029 | 0.050223291689473 | 0.470637999673923 | 0.002003048746144 | 0.243370121051353 |  | 1.132514 | 2.517311 | 1.283997 | 0.497383 | 0.8895142 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Essential fatty acid |  | 5600 | 305.4
 | 610 |  |  | eicosapentaenoate (EPA; 20:5n3) | LC/MS neg | 18467 | C06428 | HMDB01999 |  | 0.25 | 3.33 | 2.36 | 2.91 | 13.54 | 9.59 | 11.82 | 0.71 | 0.87 | 1.23 |  | < 0.001 | 1.7884127958e-05 | < 0.001 | 3.8533709175e-05 | < 0.001 | 0.000396402185081 | < 0.001 | 8.6486536024e-05 | < 0.001 | 1.88265914e-07 | < 0.001 | 3.92942055e-07 | < 0.001 | 1.0873908e-07 | 0.004638734973403 | 0.078190822780327 | 0.238062740925512 | 0.696775472130724 | 0.120814630366105 | 0.601914579254405 |  | 0.4610999 | 0.1133542 | 1.534466 | 1.087344 | 1.339922 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Essential fatty acid | 10-2005-9;10417-94-4; | 5442 | 301.3
 | 611 |  |  | docosapentaenoate (n3 DPA; 22:5n3) | LC/MS neg | 32504 | C16513 | HMDB01976 |  | 0.21 | 2.89 | 1.65 | 2.35 | 13.43 | 7.68 | 10.94 | 0.57 | 0.81 | 1.42 |  | < 0.001 | 1.021113576e-06 | < 0.001 | 1.3368899766e-05 | 0.00187835397255 | 0.002126198827223 | < 0.001 | 7.3929714201e-05 | < 0.001 | 4.3729266e-08 | < 0.001 | 1.54293557e-07 | < 0.001 | 5.0729862e-08 | < 0.001 | 0.003880409598936 | 0.05059704047336 | 0.470637999673923 | 0.004055018130171 | 0.277522526356901 |  | 0.6130646 | 0.1317615 | 1.769411 | 1.011346 | 1.440864 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Essential fatty acid | 2234-74-4 ; | 5574 | 329.4
 | 613 |  |  | docosahexaenoate (DHA; 22:6n3) | LC/MS neg | 19323 | C06429 | HMDB02183 |  | 0.58 | 0.95 | 2.73 | 2.09 | 1.64 | 4.68 | 3.58 | 2.86 | 2.19 | 0.76 |  | 0.002170112772257 | 0.00181324821802 | 0.755416546364174 | 0.192347242561711 | < 0.001 | 0.000117780217323 | < 0.001 | 0.000215838156681 | 0.003764470032719 | 0.015095623711144 | < 0.001 | 6.249788694e-06 | < 0.001 | 1.09547864e-07 | < 0.001 | 0.002442887104073 | < 0.001 | 0.018887742307267 | 0.129706975609016 | 0.601914579254405 |  | 0.8912091 | 0.5191714 | 0.8488687 | 2.431402 | 1.859761 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Essential fatty acid | 6217-54-5; | 5518 | 327.3
 | 618 |  | Medium chain fatty acid | caproate (6:0) | LC/MS neg | 32489 | C01585 | HMDB00535 |  | 0.23 | 0.37 | 0.27 | 0.29 | 1.6 | 1.16 | 1.28 | 0.73 | 0.8 | 1.1 |  | 0.028112342235383 | 0.013912954357463 | 0.21707242946171 | 0.076057868926001 | 0.058492025656874 | 0.028213164078037 | 0.090541762483314 | 0.040467465887132 | 0.051671725206906 | 0.08936156507474 | 0.527487516609917 | 0.274171596122796 | 0.292996112554998 | 0.201918269354234 | 0.168032100528733 | 0.453379534018206 | 0.321383024667218 | 0.747154107377373 | 0.670799991594321 | 0.729165073473675 |  | 2.279845 | 0.5217279 | 0.8358907 | 0.6076855 | 0.6676751 |  | 75 | 25 | 87.5 | 62.5 | 62.5 |  | Lipid | Medium chain fatty acid | 142-62-1; | 2766 | 115.2
 | 621 |  |  | pelargonate (9:0) | LC/MS neg | 12035 | C01601 | HMDB00847 |  | 1.31 | 1.4 | 1.2 | 1.13 | 1.07 | 0.91 | 0.86 | 0.85 | 0.81 | 0.95 |  | 0.016243361957291 | 0.008601324361941 | < 0.001 | 0.000945902628059 | 0.045276877751843 | 0.023669231324418 | 0.386185178678919 | 0.130257662048944 | 0.382674486777383 | 0.362958816587298 | 0.374315013307019 | 0.221336249114535 | 0.215861141451482 | 0.165910241054769 | 0.034533454417021 | 0.250904390606547 | 0.054072137081221 | 0.470637999673923 | 0.505463182884894 | 0.689572164996454 |  | 0.8376755 | 1.0996 | 1.173165 | 1.00225 | 0.9499191 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Medium chain fatty acid | 112-05-0; | 4847 | 157.2
 | 622 |  |  | caprate (10:0) | LC/MS neg | 1642 | C01571 | HMDB00511 |  | 1.09 | 1.12 | 1.08 | 0.9 | 1.03 | 1 | 0.83 | 0.97 | 0.81 | 0.83 |  | 0.60907268045769 | 0.169410362945924 | 0.238020534815412 | 0.080863485765629 | 0.800876379349949 | 0.228016716511821 | 0.182698597741872 | 0.07180165615583 | 0.704647242066917 | 0.511987756886049 | 0.883971318595179 | 0.381314789078348 | 0.179074719437427 | 0.145817483802713 | 0.628318383434285 | 0.765243939904661 | 0.040052272882189 | 0.46182390860505 | 0.321096134274311 | 0.641760721737393 |  | 1.007304 | 1.093094 | 1.125639 | 1.090908 | 0.9099597 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Medium chain fatty acid | 112-37-8; | 5092 | 171.2
 | 625 |  |  | laurate (12:0) | LC/MS neg | 1645 | C02679 | [NAME] |  | 1.54 | 1.33 | 1.45 | 1.33 | 0.87 | 0.94 | 0.87 | 1.09 | 1 | 0.92 |  | 0.013464091235358 | 0.007598675107168 | 0.06503311458678 | 0.028976750590499 | 0.037358589031698 | 0.020603048643425 | 0.07373796476447 | 0.034185947559919 | 0.288742853082429 | 0.314040515696638 | 0.640996722545592 | 0.315266145711166 | 0.285536002758441 | 0.199690771827876 | 0.615541061847546 | 0.762911820040679 | 0.964822436882451 | 0.941853848113005 | 0.597486691147722 | 0.702558323479561 |  | 0.7854697 | 1.208948 | 1.046777 | 1.1422 | 1.046492 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Medium chain fatty acid | 143-07-7; | 5288 | 199.3
 | 629 |  | Long chain fatty acid | myristate (14:0) | LC/MS neg | 1365 | C06424 | HMDB00806 |  | 5.16 | 1.44 | 2.07 | 1.68 | 0.28 | 0.4 | 0.33 | 1.44 | 1.17 | 0.81 |  | < 0.001 | 4.256121568e-06 | 0.041754211726394 | 0.020058891353447 | 0.001447780122548 | 0.00176783142016 | 0.00599287678518 | 0.004604620449052 | < 0.001 | 2.509822779e-05 | < 0.001 | 0.000270604227532 | < 0.001 | 3.7854541381e-05 | 0.032789728698182 | 0.24674367430249 | 0.166182123967532 | 0.580428362557701 | 0.193910363652151 | 0.601914579254405 |  | 0.5815374 | 3.002893 | 0.8366857 | 1.20518 | 0.9786158 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 544-63-8; | 5439 | 227.3
 | 630 |  |  | myristoleate (14:1n5) | LC/MS neg | 32418 | C08322 | HMDB02000 |  | 2.8 | 2.03 | 2.17 | 1.68 | 0.72 | 0.77 | 0.6 | 1.07 | 0.83 | 0.78 |  | < 0.001 | 0.000832891517409 | 0.006003113393372 | 0.004447490827941 | 0.006923777359281 | 0.005683228342606 | 0.032368548681842 | 0.017428820704107 | 0.192448397084258 | 0.239082851196126 | 0.27535472922696 | 0.180572996467079 | 0.038689956512406 | 0.050905690040187 | 0.904538602255209 | 0.811816974474965 | 0.329478628067358 | 0.747154107377373 | 0.318005244841306 | 0.641760721737393 |  | 0.5558233 | 1.557791 | 1.126618 | 1.203974 | 0.9351674 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 544-64-9 ; | 5338 | 225.3
 | 631 |  |  | pentadecanoate (15:0) | LC/MS neg | 1361 | C16537 | HMDB00826 |  | 2.64 | 1.74 | 1.47 | 1.57 | 0.66 | 0.56 | 0.6 | 0.84 | 0.9 | 1.07 |  | 0.005730526582846 | 0.003964398146449 | 0.003726675342691 | 0.003055462114402 | 0.029092448927711 | 0.016943821194594 | 0.009363733775017 | 0.006435384093459 | 0.248004073265387 | 0.281597580623658 | 0.08399248512023 | 0.082237001828682 | 0.13426855674963 | 0.121669731869494 | 0.143272783802647 | 0.430783098893647 | 0.28423718096941 | 0.747154107377373 | 0.434653150905274 | 0.675652003511518 |  | 0.6191843 | 1.633398 | 1.078908 | 0.9115002 | 0.9733962 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 1002-84-2; | 5522 | 241.3
 | 632 |  |  | palmitate (16:0) | LC/MS neg | 1336 | C00249 | HMDB00220 |  | 1.27 | 1.12 | 1.21 | 1.21 | 0.88 | 0.95 | 0.95 | 1.08 | 1.08 | 0.99 |  | 0.042446492734625 | 0.019933654452161 | 0.261739446214875 | 0.087234728816854 | 0.11907305699392 | 0.049741897458008 | 0.097701476380398 | 0.042419843724079 | 0.058000619185513 | 0.098551593411118 | 0.464303795398525 | 0.251290454666009 | 0.360643113875772 | 0.237255197795338 | 0.412973700188587 | 0.649357456979554 | 0.307377990586042 | 0.747154107377373 | 0.977117949200949 | 0.80315509384266 |  | 0.8494364 | 1.079466 | 0.9510936 | 1.030421 | 1.024531 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 57-10-3; | 5619 | 255.3
 | 633 |  |  | palmitoleate (16:1n7) | LC/MS neg | 33447 | C08362 | HMDB03229 |  | 2.7 | 2.04 | 1.8 | 1.9 | 0.75 | 0.67 | 0.7 | 0.88 | 0.93 | 1.05 |  | < 0.001 | 0.000177896255842 | 0.001207087097078 | 0.001237097598647 | 0.003712177223923 | 0.00372176363278 | 0.002227973029406 | 0.00204504162619 | 0.016194129102817 | 0.044610189237664 | 0.001831775466708 | 0.004483726198533 | 0.003438938702393 | 0.008611579987181 | 0.19293677723217 | 0.484850055581086 | 0.421719900315822 | 0.779495724687071 | 0.521947289432622 | 0.69370762442494 |  | 0.5451368 | 1.472774 | 1.111545 | 0.9796764 | 1.033474 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 373-49-9; | 5477 | 253.3
 | 635 |  |  | margarate (17:0) | LC/MS neg | 1121 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB02259 |  | 1.48 | 1.06 | 1.25 | 1.23 | 0.72 | 0.85 | 0.84 | 1.18 | 1.16 | 0.99 |  | 0.044147615788878 | 0.020582297409562 | 0.484329541679326 | 0.13788080652446 | 0.143670804814205 | 0.058451754459484 | 0.123150690754527 | 0.051350124394631 | 0.047395487358296 | 0.086542533791466 | 0.308727857787985 | 0.193997578824385 | 0.260066409402693 | 0.188749287254988 | 0.232452656909927 | 0.515557542413969 | 0.1601950960295 | 0.580428362557701 | 0.978233915093907 | 0.80315509384266 |  | 0.8141809 | 1.202319 | 0.8665509 | 1.018272 | 1.005201 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 506-12-7; | 5733 | 269.3
 | 636 |  |  | 10-heptadecenoate (17:1n7) | LC/MS neg | 33971 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 4.85 | 2.4 | 2.72 | 2.65 | 0.49 | 0.56 | 0.55 | 1.13 | 1.1 | 0.97 |  | < 0.001 | 4.5202639e-07 | < 0.001 | 6.167315055e-05 | < 0.001 | 2.9979859661e-05 | < 0.001 | 3.926573024e-05 | < 0.001 | 1.7058112772e-05 | < 0.001 | 5.3511934243e-05 | < 0.001 | 2.5205637761e-05 | 0.13749685016442 | 0.430034231451631 | 0.165772044478981 | 0.580428362557701 | 0.778188493833206 | 0.759367957560849 |  | 0.3878396 | 1.881782 | 0.9293494 | 1.053279 | 1.02615 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 29743-97-3; | 5558 | 267.3
 | 637 |  |  | stearate (18:0) | LC/MS neg | 1358 | C01530 | HMDB00827 |  | 1.15 | 0.95 | 1 | 0.99 | 0.83 | 0.87 | 0.86 | 1.05 | 1.04 | 0.99 |  | 0.244646225721785 | 0.079494853128371 | 0.866437688461576 | 0.210463034951844 | 0.858120223747864 | 0.240894150688888 | 0.815513065079988 | 0.223964957412131 | 0.111393634266217 | 0.160732665568082 | 0.241705556322183 | 0.164662025001814 | 0.161765986823692 | 0.136992209771995 | 0.676788154607005 | 0.771306861491745 | 0.573774125843308 | 0.854214858160822 | 0.972032690464625 | 0.80315509384266 |  | 1.020471 | 1.176059 | 0.9738116 | 1.021553 | 1.010524 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 57-11-4; | 5886 | 283.4
 | 639 |  |  | oleate (18:1n9) | GC/MS | 1359 | C00712 | HMDB00207 |  | 4.68 | 2.77 | 2.34 | 2.4 | 0.59 | 0.5 | 0.51 | 0.84 | 0.87 | 1.02 |  | < 0.001 | 1.2956583023e-05 | < 0.001 | 0.000172072631397 | < 0.001 | 0.000579289946212 | < 0.001 | 0.000443336414037 | 0.018164006130542 | 0.047555480938552 | 0.003510945585985 | 0.007245848081782 | 0.004476488754662 | 0.010425066919475 | 0.030291374995475 | 0.232087916173053 | 0.054907572788065 | 0.470637999673923 | 0.651756673910108 | 0.725874937757349 |  | 0.4067502 | 1.902713 | 1.126818 | 0.9519795 | 0.9752668 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 112-80-1; | 1984.4 | 339.2
 | 641 |  |  | cis-vaccenate (18:1n7) | GC/MS | 33970 | C08367 | http://www.hmdb.ca/metabolites/ |  | 7.49 | 3.15 | 1.98 | 2.31 | 0.42 | 0.26 | 0.31 | 0.63 | 0.73 | 1.17 |  | < 0.001 | 1.69466387e-07 | < 0.001 | 1.3368899766e-05 | < 0.001 | 0.000744904319066 | < 0.001 | 0.000154258263731 | < 0.001 | 0.000936442283274 | < 0.001 | 1.2579379119e-05 | < 0.001 | 3.7854541381e-05 | 0.001243552323063 | 0.032752187513195 | 0.01264667551684 | 0.422795336908257 | 0.226904455649615 | 0.601914579254405 |  | 0.4116735 | 3.084807 | 1.296338 | 0.814796 | 0.9516654 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 693-72-1; | 1987 | 339.3
 | 643 |  |  | 13-octadecenoate (18:1n5) | GC/MS | 17804 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 4.8 | 2.86 | 3.03 | 2.51 | 0.6 | 0.63 | 0.52 | 1.06 | 0.88 | 0.83 |  | < 0.001 | 5.523841713e-06 | 0.00805319468115 | 0.005441810475544 | 0.007155651936025 | 0.005839408831729 | 0.013448975705461 | 0.008635512103086 | 0.059595747349331 | 0.099365581409309 | 0.086261435893958 | 0.08372365042822 | 0.022310117424838 | 0.034637931629343 | 0.895832534297293 | 0.808646095851868 | 0.721720199691146 | 0.891514237383316 | 0.628866672964867 | 0.720457141735071 |  | 0.2858022 | 1.370437 | 0.8184276 | 0.8653182 | 0.7163781 |  | 50 | 100 | 75 | 75 | 75 |  | Lipid | Long chain fatty acid | 13126-39-1; | 1993.4 | 339.3
 | 646 |  |  | stearidonate (18:4n3) | LC/MS neg | 33969 | C16300 | HMDB06547 |  | 0.17 | 0.63 | 0.36 | 0.52 | 3.76 | 2.16 | 3.07 | 0.57 | 0.82 | 1.42 |  | < 0.001 | 0.000448627941084 | 0.431489736179645 | 0.126347828293395 | 0.024462691523621 | 0.014549241665107 | 0.165999385406568 | 0.065997354787538 | < 0.001 | 0.000185083774023 | 0.007665313324992 | 0.014230176447832 | < 0.001 | 0.000573954144122 | 0.02291419386459 | 0.202977623313684 | 0.322217355332984 | 0.747154107377373 | 0.136370297272418 | 0.601914579254405 |  | 2.194994 | 0.3686637 | 1.386706 | 0.7945542 | 1.13182 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 111174-40-4 ; | 5381 | 275.3
 | 647 |  |  | nonadecanoate (19:0) | LC/MS neg | 1356 | C16535 | HMDB00772 |  | 0.56 | 0.36 | 0.53 | 0.46 | 0.64 | 0.94 | 0.83 | 1.46 | 1.28 | 0.88 |  | 0.076476119654068 | 0.031846597701485 | 0.002246201508 | 0.002061534078653 | 0.042359683146856 | 0.022780346063582 | 0.014793418811442 | 0.009256836534587 | 0.258230526686457 | 0.291473354395385 | 0.833507003232438 | 0.367837643356212 | 0.901577792778273 | 0.426564693307601 | 0.071803242239259 | 0.339977581134521 | 0.104873656837688 | 0.52310575172737 | 0.569698859153211 | 0.700403608036641 |  | 1.897418 | 1.067896 | 0.6870484 | 1.000563 | 0.881209 |  | 100 | 75 | 87.5 | 100 | 100 |  | Lipid | Long chain fatty acid | 646-30-0; | 6073 | 297.3
 | 648 |  |  | 10-nonadecenoate (19:1n9) | LC/MS neg | 33972 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 7.44 | 2.53 | 1.96 | 2.31 | 0.34 | 0.26 | 0.31 | 0.77 | 0.91 | 1.18 |  | < 0.001 | 4.256121568e-06 | < 0.001 | 0.00091679909207 | 0.00434729955292 | 0.004150977253121 | 0.001109804578523 | 0.001254410363732 | < 0.001 | 0.000188540732051 | < 0.001 | 9.100502909e-06 | < 0.001 | 3.4299008122e-05 | 0.148985014288161 | 0.435291714845624 | 0.704491924518246 | 0.885311757309551 | 0.15293212789839 | 0.601914579254405 |  | 0.4629016 | 3.442683 | 1.172385 | 0.9054098 | 1.071465 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 73033-09-7; | 5775 | 295.4
 | 650 |  |  | arachidate (20:0) | GC/MS | 1118 | C06425 | HMDB02212 |  | 0.87 | 0.72 | 0.93 | 0.71 | 0.83 | 1.07 | 0.82 | 1.29 | 0.99 | 0.77 |  | 0.323788955181161 | 0.10088059983193 | 0.036489832795726 | 0.018095341965035 | 0.644872297944452 | 0.19549733967001 | 0.033897615263468 | 0.01810955056911 | 0.660998254472815 | 0.498065467119054 | 0.500514361969863 | 0.264063846713336 | 0.644198277234747 | 0.358052647799538 | 0.076797257041608 | 0.344281816983426 | 0.941020196662194 | 0.941853848113005 | 0.070369622085947 | 0.601914579254405 |  | 1.346273 | 1.165498 | 0.9649315 | 1.246313 | 0.9596181 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 506-30-9; | 2071.2 | 369.3
 | 653 |  |  | eicosenoate (20:1n9 or 11) | LC/MS neg | 33587 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB02231 |  | 5.79 | 2.09 | 1.86 | 2.16 | 0.36 | 0.32 | 0.37 | 0.89 | 1.04 | 1.17 |  | < 0.001 | 4.256121568e-06 | 0.002372225277201 | 0.002161069644237 | 0.004649474345049 | 0.004321903146434 | < 0.001 | 0.00107516613389 | < 0.001 | 0.000451561985374 | < 0.001 | 5.3511934243e-05 | < 0.001 | 0.00018489356827 | 0.556817820573254 | 0.726451851626326 | 0.636294507082156 | 0.863866642340944 | 0.216182551732762 | 0.601914579254405 |  | 0.5147046 | 2.979465 | 1.074209 | 0.9548243 | 1.113457 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid |  | 5955 | 309.4
 | 655 |  |  | dihomo-linoleate (20:2n6) | LC/MS neg | 17805 | C16525 | http://www.hmdb.ca/metabolites/ |  | 3.44 | 1.02 | 0.46 | 0.72 | 0.3 | 0.13 | 0.21 | 0.45 | 0.7 | 1.55 |  | < 0.001 | 2.3372965927e-05 | 0.944423469278044 | 0.225071410423633 | < 0.001 | 0.00109319555766 | 0.102117163152566 | 0.043838467941916 | < 0.001 | 0.000129078844503 | < 0.001 | 1.66779932e-07 | < 0.001 | 2.030029118e-06 | < 0.001 | 0.023950842622303 | 0.090590945205227 | 0.52310575172737 | 0.002975510140656 | 0.244370130517947 |  | 1.191305 | 4.094422 | 1.218885 | 0.5512424 | 0.8544999 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 2091-39-6; | 5722 | 307.3
 | 659 |  |  | arachidonate (20:4n6) | LC/MS neg | 1110 | C00219 | HMDB01043 |  | 2.47 | 1.07 | 0.39 | 0.6 | 0.44 | 0.16 | 0.24 | 0.36 | 0.56 | 1.53 |  | < 0.001 | 2.891944248e-05 | 0.505483246290598 | 0.14291049097622 | < 0.001 | 4.990921533e-05 | 0.002048136584497 | 0.001946570949978 | < 0.001 | 6.8376912041e-05 | < 0.001 | 2.0455835e-08 | < 0.001 | 2.12788317e-07 | < 0.001 | 0.000133522451321 | < 0.001 | 0.018887742307267 | 0.001777141964381 | 0.243370121051353 |  | 1.181523 | 2.915019 | 1.268774 | 0.4624095 | 0.7062746 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 506-32-1; | 5525 | 303.4
 | 663 |  |  | docosadienoate (22:2n6) | LC/MS neg | 32415 | C16533 | http://www.hmdb.ca/metabolites/ |  | 3.66 | 0.69 | 0.39 | 0.53 | 0.19 | 0.11 | 0.15 | 0.57 | 0.77 | 1.36 |  | < 0.001 | 0.00019597210485 | 0.182325573951615 | 0.065950072091687 | 0.002792006182776 | 0.00297772042621 | 0.032226524116969 | 0.017420934038403 | < 0.001 | 0.000105234555268 | < 0.001 | 2.359479852e-06 | < 0.001 | 8.907356707e-06 | 0.042478556772986 | 0.28413545862921 | 0.438671832268257 | 0.785808100278082 | 0.046801779609626 | 0.565249439741983 |  | 1.709652 | 6.25805 | 1.185304 | 0.6700298 | 0.9105302 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 7370-49-2 ; | 6017 | 335.4
 | 664 |  |  | docosatrienoate (22:3n3) | LC/MS neg | 32417 | C16534 | HMDB02823 |  | 2.08 | 1 | 1 | 1 | 0.48 | 0.48 | 0.48 | 1 | 1 | 1 |  | 0.001672784491651 | 0.001464260462639 |  |  |  |  |  |  | 0.001672784491651 | 0.008226921226282 | 0.001672784491651 | 0.004142727480065 | 0.001672784491651 | 0.004869578374668 |  |  |  |  |  |  |  | 0.5304059 | 1.100913 | 0.5304059 | 0.5304059 | 0.5304059 |  | 0 | 100 | 0 | 0 | 0 |  | Lipid | Long chain fatty acid | 59708-86-0 ; | 5825 | 333.4
 | 665 |  |  | adrenate (22:4n6) | LC/MS neg | 32980 | C16527 | HMDB02226 |  | 1.6 | 0.52 | 0.31 | 0.38 | 0.32 | 0.2 | 0.24 | 0.61 | 0.74 | 1.22 |  | 0.002127642975513 | 0.001789381735956 | 0.00188222950121 | 0.001808461254851 | < 0.001 | 2.1826100295e-05 | < 0.001 | 4.9832132831e-05 | < 0.001 | 0.000214000816926 | < 0.001 | 9.92747153e-07 | < 0.001 | 1.494321256e-06 | 0.024632893325576 | 0.207606837600142 | 0.166349136625986 | 0.580428362557701 | 0.207839363753911 | 0.601914579254405 |  | 1.836139 | 2.933191 | 0.9476451 | 0.5771229 | 0.7054706 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Long chain fatty acid | 2091-25-0; | 5684 | 331.3
 | 689 |  | Fatty acid, ester | n-Butyl Oleate | GC/MS | 36802 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.03 | 0.89 | 0.63 | 0.65 | 0.87 | 0.61 | 0.63 | 0.71 | 0.73 | 1.03 |  | 0.887135326784028 | 0.224709709648365 | 0.788639634638794 | 0.198342755659718 | 0.070228707280128 | 0.032213756350858 | 0.095601469515254 | 0.041943024569993 | 0.677939947438818 | 0.505331771100572 | 0.06172637165432 | 0.066294877952948 | 0.085332955074682 | 0.090330717164263 | 0.063241018211418 | 0.339190092841548 | 0.068574949094891 | 0.496538298865903 | 0.541949596537163 | 0.698535954001081 |  | 1.380197 | 1.425249 | 1.232906 | 0.8706625 | 0.898866 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Fatty acid, ester | 142-77-8; | 2045 | 265.3
 | 703 |  | Fatty acid, monohydroxy | 16-hydroxypalmitate | LC/MS neg | 39609 | C18218 | http://www.hmdb.ca/metabolites/ |  | 0.75 | 1.02 | 1.08 | 0.98 | 1.35 | 1.42 | 1.3 | 1.05 | 0.96 | 0.91 |  | 0.040890623993285 | 0.019487478585274 | 0.737574638563784 | 0.189372566040478 | 0.463476181542394 | 0.150588495789155 | 0.853924619258624 | 0.233109675846017 | 0.002178160390311 | 0.009718647181245 | 0.001103624750607 | 0.002978462430351 | 0.08354365231349 | 0.089659244973076 | 0.590644421935388 | 0.754993671568465 | 0.600161394849427 | 0.863866642340944 | 0.375128610231143 | 0.648124983010399 |  | 1.110354 | 0.8378465 | 1.133294 | 1.19369 | 1.091001 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Fatty acid, monohydroxy | 506-13-8; | 5232 | 271.3
 | 704 |  |  | 2-hydroxystearate | LC/MS neg | 17945 | C03045 | http://www.hmdb.ca/metabolites/ |  | 0.59 | 0.95 | 0.95 | 1.32 | 1.62 | 1.62 | 2.25 | 1 | 1.39 | 1.39 |  | 0.009791195111114 | 0.006115953315836 | 0.416752137884823 | 0.123502668652854 | 0.753162672247164 | 0.217074069558236 | 0.409330678099423 | 0.134361404102708 | 0.262370048800289 | 0.293151411217188 | 0.01796875704306 | 0.027212505744221 | 0.009170612847982 | 0.018328316998086 | 0.534089042341491 | 0.714566027037165 | 0.196828030780009 | 0.622932792787263 | 0.301757156917444 | 0.641760721737393 |  | 1.180064 | 0.6934664 | 1.123601 | 1.122491 | 1.56096 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Fatty acid, monohydroxy | 629-22-1; | 5705 | 299.4
 | 710 |  |  | 13-HODE + 9-HODE | LC/MS neg | 37752 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.28 | 0.26 | 0.23 | 0.28 | 0.9 | 0.8 | 1 | 0.89 | 1.11 | 1.24 |  | < 0.001 | 3.689149464e-06 | < 0.001 | 3.184891898e-06 | < 0.001 | 3.04716328e-06 | < 0.001 | 8.525185073e-06 | 0.42791550553993 | 0.390663518593493 | 0.119106753531538 | 0.101099731892945 | 0.904861557548575 | 0.426576122786394 | 0.280808354424662 | 0.566187099307972 | 0.567202284912149 | 0.847069777808241 | 0.182800334763166 | 0.601914579254405 |  | 3.620021 | 1.028743 | 0.924507 | 0.8261646 | 1.025118 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Fatty acid, monohydroxy |  | 5247 | 295.2
 | 712 |  | Fatty acid, dihydroxy | 9,10-hydroxyoctadec-12(Z)-enoic acid | LC/MS neg | 38399 | C14828 | HMDB04704 |  | 0.18 | 0.68 | 0.65 | 0.82 | 3.71 | 3.53 | 4.48 | 0.95 | 1.21 | 1.27 |  | < 0.001 | 5.04605747e-07 | 0.023760477169927 | 0.013045290121854 | 0.016966592254395 | 0.011025263899235 | 0.241376036944425 | 0.090196889046553 | < 0.001 | 1.7058112772e-05 | < 0.001 | 1.5361920825e-05 | < 0.001 | 5.600370203e-06 | 0.656628031739578 | 0.770693685851098 | 0.291231597726767 | 0.747154107377373 | 0.186002468920396 | 0.601914579254405 |  | 1.560198 | 0.2854548 | 1.057992 | 1.006476 | 1.278889 |  | 100 | 75 | 100 | 100 | 100 |  | Lipid | Fatty acid, dihydroxy | 263399-34-4; | 5177 | 313.3
 | 713 |  | Fatty acid, dicarboxylate | adipate | GC/MS | 21134 | C06104 | HMDB00448 |  | 0.75 | 0.86 | 1.07 | 0.91 | 1.15 | 1.43 | 1.22 | 1.25 | 1.06 | 0.85 |  | 0.152816705605806 | 0.055704695524436 | 0.487152884949223 | 0.138364279119489 | 0.653845573616349 | 0.197267636652644 | 0.616987339909849 | 0.182252608667805 | 0.32843201816589 | 0.335627937264977 | 0.052746307672484 | 0.060018568474373 | 0.378290468289191 | 0.245398725927625 | 0.210761601168348 | 0.490692189995479 | 0.9220804780759 | 0.941853848113005 | 0.343388371850569 | 0.64753662645539 |  | 1.165123 | 0.8708607 | 0.9997596 | 1.246464 | 1.059436 |  | 100 | 87.5 | 100 | 100 | 87.5 |  | Lipid | Fatty acid, dicarboxylate | 124-04-9; | 1522.2 | 110.9
 | 714 |  |  | 2-hydroxyglutarate | GC/MS | 37253 | C02630 | HMDB00606 |  | 0.76 | 0.87 | 0.91 | 0.75 | 1.14 | 1.19 | 0.98 | 1.04 | 0.86 | 0.83 |  | 0.060415763614208 | 0.026263598775601 | 0.353482935756696 | 0.110057073373527 | 0.54379965039452 | 0.171524844708866 | 0.050548389993757 | 0.024868009418124 | 0.107216950309523 | 0.157978977537484 | 0.030025018856147 | 0.041581964016327 | 0.774412777002892 | 0.391212693737644 | 0.55489600951728 | 0.726192837659123 | 0.100134652118029 | 0.52310575172737 | 0.037388601614214 | 0.534064839509611 |  | 1.211651 | 0.9236201 | 1.05484 | 1.096701 | 0.9067321 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Fatty acid, dicarboxylate | 40951-21-1; | 1576 | 247
 | 724 |  |  | tetradecanedioate | LC/MS neg | 35669 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00872 |  | 0.89 | 0.96 | 1.46 | 0.97 | 1.07 | 1.64 | 1.09 | 1.53 | 1.02 | 0.67 |  | 0.443980837951962 | 0.129265682729695 | 0.701364892607974 | 0.183134310756705 | 0.098001129300902 | 0.042455522663391 | 0.703495280180644 | 0.202130907995896 | 0.803625498732837 | 0.559521295203748 | 0.029573080964592 | 0.041227302737714 | 0.854249084590066 | 0.415327188559513 | 0.068937440045073 | 0.339190092841548 | 0.974362271478024 | 0.941853848113005 | 0.082829105652248 | 0.601914579254405 |  | 1.046402 | 0.9323814 | 1.000252 | 1.525685 | 1.01726 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Fatty acid, dicarboxylate | 821-38-5; | 3970 | 257.2
 | 725 |  |  | hexadecanedioate | LC/MS neg | 35678 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00672 |  | 0.8 | 0.61 | 0.93 | 0.64 | 0.76 | 1.16 | 0.8 | 1.52 | 1.05 | 0.69 |  | 0.14628290044845 | 0.053626829735778 | 0.003029767089353 | 0.002605672374677 | 0.623810967636853 | 0.190345798977371 | 0.011363015148616 | 0.00758085545836 | 0.039957490169776 | 0.078450217258557 | 0.287887565765871 | 0.186468228080807 | 0.112797362941481 | 0.109115414275998 | 0.004870844648497 | 0.078945460363987 | 0.899364748132257 | 0.940482793519741 | 0.0213965817881 | 0.534064839509611 |  | 1.3019 | 1.041746 | 0.792505 | 1.208091 | 0.8304545 |  | 100 | 100 | 87.5 | 100 | 100 |  | Lipid | Fatty acid, dicarboxylate | 505-54-4; | 4650 | 285.2
 | 744 |  | Fatty acid, branched | methyl palmitate (15 or 2) | LC/MS neg | 38768 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 4.52 | 3.79 | 3.31 | 3.55 | 0.84 | 0.73 | 0.79 | 0.87 | 0.94 | 1.07 |  | < 0.001 | 5.4588348e-07 | < 0.001 | 3.184891898e-06 | < 0.001 | 1.0545962878e-05 | < 0.001 | 6.444861441e-06 | 0.156713892818466 | 0.209679483907598 | 0.025053115646044 | 0.035634061492869 | 0.064277584183319 | 0.074846397841987 | 0.201317532264463 | 0.487285238909912 | 0.477619834224427 | 0.809931988517749 | 0.562713426857494 | 0.700403608036641 |  | 0.3002494 | 1.356095 | 1.137919 | 0.9936482 | 1.06583 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Fatty acid, branched |  | 5698 | 269.4
 | 746 |  |  | 17-methylstearate | LC/MS neg | 38296 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 6.68 | 3.21 | 2.56 | 2.81 | 0.48 | 0.38 | 0.42 | 0.8 | 0.87 | 1.1 |  | < 0.001 | 2.127876851e-06 | < 0.001 | 9.2519409323e-05 | < 0.001 | 0.000417146131119 | < 0.001 | 0.000195467017835 | 0.001886886928625 | 0.008663055442458 | < 0.001 | 0.000616867878974 | < 0.001 | 0.00147792522737 | 0.192716057459249 | 0.484850055581086 | 0.455994378805664 | 0.80412097728104 | 0.380199415074283 | 0.648124983010399 |  | 0.3509691 | 2.345763 | 1.126932 | 0.8990632 | 0.9845889 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Fatty acid, branched | 2724-59-6; | 5987 | 297.4
 | 774 |  | Eicosanoid | 17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoate | LC/MS neg | 39686 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.26 | 3.43 | 2.13 | 2.83 | 13.25 | 8.24 | 10.96 | 0.62 | 0.83 | 1.33 |  | < 0.001 | 2.7711550409e-05 | < 0.001 | 4.7241732461e-05 | < 0.001 | 0.001025888506351 | < 0.001 | 0.000341659012358 | < 0.001 | 1.517738e-09 | < 0.001 | 3.8018344e-08 | < 0.001 | 2.57586186e-07 | < 0.001 | 0.017399124642297 | 0.175760953118189 | 0.580428362557701 | 0.180099561831828 | 0.601914579254405 |  | 0.5033224 | 0.1302161 | 1.724978 | 1.073327 | 1.42675 |  | 100 | 50 | 100 | 100 | 100 |  | Lipid | Eicosanoid |  | 5104.1 | 335.2
 | 787 |  |  | 6-keto prostaglandin F1alpha | LC/MS neg | 20476 | C05961 | HMDB02886 |  | 3.43 | 1 | 1 | 1 | 0.29 | 0.29 | 0.29 | 1 | 1 | 1 |  | 0.008155119766926 | 0.005273184225735 |  |  |  |  |  |  | 0.008155119766926 | 0.027483801205935 | 0.008155119766926 | 0.014927868494379 | 0.008155119766926 | 0.016807118171391 |  |  |  |  |  |  |  | 0.3332767 | 1.141854 | 0.3332767 | 0.3332767 | 0.3332767 |  | 0 | 100 | 0 | 0 | 0 |  | Lipid | Eicosanoid | 58961-34-8;58962-34-8; | 4180 | 369.3
 | 791 |  |  | 18-HEPE | LC/MS neg | 37531 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB12611 |  | 0.07 | 3.93 | 2.41 | 3.86 | 52.58 | 32.2 | 51.62 | 0.61 | 0.98 | 1.6 |  | < 0.001 | 1.9373904e-08 | < 0.001 | 1.3368899766e-05 | < 0.001 | 0.000229571751481 | < 0.001 | 3.4953718622e-05 | < 0.001 | 2.96601e-10 | < 0.001 | 1.01588e-10 | < 0.001 | 2.399497e-09 | < 0.001 | 0.002442887104073 | 0.601536639387358 | 0.863866642340944 | 0.023680975885976 | 0.534064839509611 |  | 0.4220171 | 0.03156883 | 1.659917 | 1.016509 | 1.629512 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Eicosanoid | 141110-17-0; | 5202 | 317.3
 | 792 |  |  | 5-HETE | LC/MS neg | 37372 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.63 | 0.57 | 0.34 | 0.43 | 0.91 | 0.54 | 0.68 | 0.6 | 0.75 | 1.26 |  | 0.01099798861235 | 0.006601754711398 | 0.004802654294754 | 0.003738271516374 | < 0.001 | 0.000118777530963 | 0.00253363381931 | 0.002278029597657 | 0.404178781942837 | 0.375448039956371 | 0.001665323495035 | 0.004142727480065 | 0.049997651633447 | 0.061832214752118 | 0.008229372709653 | 0.117411207405912 | 0.12520795270465 | 0.54815393685684 | 0.547720668829531 | 0.698535954001081 |  | 1.749871 | 1.103983 | 1.006047 | 0.6011872 | 0.7559764 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Eicosanoid | 73307-52-5; | 5372 | 319.2
 | 795 |  |  | 12-HETE | LC/MS neg | 37536 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB06111 |  | 2.01 | 0.37 | 0.28 | 0.34 | 0.19 | 0.14 | 0.17 | 0.76 | 0.91 | 1.2 |  | 0.107403824301499 | 0.041752975324727 | < 0.001 | 0.000865901799822 | < 0.001 | 0.000153820677911 | < 0.001 | 0.000199198969037 | < 0.001 | 0.002095405598321 | < 0.001 | 0.000314426158726 | < 0.001 | 0.001154070291431 | 0.259150244006238 | 0.542389013355145 | 0.85824638563374 | 0.937287998980701 | 0.237461489057301 | 0.601914579254405 |  | 2.020709 | 4.070643 | 0.7549328 | 0.5707922 | 0.6867657 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Eicosanoid | 73837-14-6; | 5295 | 319.3
 | 796 |  |  | 15-HETE | LC/MS neg | 37538 | C04742 | HMDB02110 |  | 1 | 0.75 | 0.42 | 0.6 | 0.74 | 0.42 | 0.59 | 0.56 | 0.8 | 1.42 |  | 0.71810864645132 | 0.192105923654891 | 0.047133092370042 | 0.022124386943017 | < 0.001 | 8.7400465926e-05 | < 0.001 | 0.001098839626222 | 0.180685047543494 | 0.228958364577174 | < 0.001 | 0.001483955722718 | 0.018347290173207 | 0.029879769696806 | 0.005988957338535 | 0.090134160764369 | 0.241715748069507 | 0.696775472130724 | 0.034555988280037 | 0.534064839509611 |  | 1.433807 | 1.439985 | 1.071655 | 0.603117 | 0.8562106 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Eicosanoid | 54845-95-3; | 5271 | 319.3
 | 803 |  | Endocannabinoid | palmitoyl ethanolamide | LC/MS neg | 38165 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.31 | 0.89 | 0.89 | 0.89 | 0.68 | 0.68 | 0.68 | 1 | 1 | 0.99 |  | 0.232097706776853 | 0.075993067648444 | 0.618570636404345 | 0.167690259661595 | 0.685323986995122 | 0.203368138693152 | 0.696781915136167 | 0.201883886091954 | 0.083942892458879 | 0.129719234580002 | 0.094245579630676 | 0.087408492895659 | 0.083176207109269 | 0.089659244973076 | 0.909156031050296 | 0.811949051953978 | 0.866299551854764 | 0.937287998980701 | 0.962432817557302 | 0.80315509384266 |  | 1.153025 | 1.505952 | 1.027593 | 1.031264 | 1.023806 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Endocannabinoid |  | 6416 | 298.4
 | 809 |  | Fatty acid metabolism (also BCAA metabolism) | propionylcarnitine | LC/MS pos | 32452 | C03017 | HMDB00824 |  | 0.35 | 0.53 | 0.86 | 0.78 | 1.51 | 2.44 | 2.23 | 1.62 | 1.48 | 0.92 |  | 0.001006594447969 | 0.00097386457157 | 0.019739898103754 | 0.011480903550711 | 0.43955753273863 | 0.144151803321143 | 0.347842697941475 | 0.121051125596072 | 0.119574611606802 | 0.166873521303344 | 0.011680298207385 | 0.019990060878907 | 0.002561601725172 | 0.00685699303026 | 0.15669247348833 | 0.436336309713538 | 0.060106685606962 | 0.470637999673923 | 0.948081075857382 | 0.80315509384266 |  | 1.657256 | 0.5814788 | 0.8774677 | 1.417142 | 1.297292 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Fatty acid metabolism (also BCAA metabolism) | 17298-37-2 ; | 1589 | 218.2
 | 812 |  |  | butyrylglycine | LC/MS pos | 31850 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00808 |  | 0.42 | 0.44 | 0.42 | 0.45 | 1.05 | 1.01 | 1.07 | 0.96 | 1.02 | 1.06 |  | 0.007659280833519 | 0.004977582655389 | 0.010740570446796 | 0.007026128705544 | 0.00832220493045 | 0.006489541626696 | 0.012020217664514 | 0.007865829664697 | 0.702902266102316 | 0.511987756886049 | 0.910423178324335 | 0.388742196243469 | 0.611067936453079 | 0.349652341311777 | 0.782928072465574 | 0.793094185571087 | 0.90631659224775 | 0.941853848113005 | 0.688167012427786 | 0.729165073473675 |  | 2.214451 | 0.9294877 | 0.978018 | 0.9409757 | 0.9941143 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Fatty acid metabolism (also BCAA metabolism) | 20208-73-5 ; | 2077 | 146.1
 | 814 |  | Fatty acid metabolism | valerylglycine | LC/MS pos | 36768 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00927 |  | 0.65 | 0.77 | 0.86 | 0.83 | 1.18 | 1.32 | 1.27 | 1.12 | 1.08 | 0.96 |  | 0.009477153181497 | 0.005977827932248 | 0.129632759711031 | 0.050451523623724 | 0.338308038399625 | 0.11812297751786 | 0.226733892087477 | 0.085661635941416 | 0.430677959556619 | 0.390832362026053 | 0.044226224394359 | 0.053101952293057 | 0.065355194212543 | 0.075347716266164 | 0.396673580099845 | 0.639722916435706 | 0.506114966622436 | 0.814374046610363 | 0.787244953122317 | 0.762151674072002 |  | 1.270442 | 0.8318331 | 0.9805909 | 1.097042 | 1.056735 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Fatty acid metabolism | 24003-66-5; | 2824 | 160.1
 | 816 |  |  | hexanoylglycine | LC/MS neg | 35436 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00701 |  | 0.44 | 0.31 | 0.4 | 0.41 | 0.71 | 0.92 | 0.94 | 1.3 | 1.32 | 1.01 |  | 0.007617451411706 | 0.004975527646306 | < 0.001 | 0.000824676622769 | 0.004038257340088 | 0.003963748360605 | 0.007126342977771 | 0.005240011832434 | 0.045047976958287 | 0.085940568597529 | 0.471775968571941 | 0.254645792813493 | 0.371257873911718 | 0.243550302765507 | 0.159457827873699 | 0.436336309713538 | 0.495565226764717 | 0.809931988517749 | 0.663732005548298 | 0.729165073473675 |  | 2.435178 | 1.066355 | 0.7577542 | 0.9842418 | 0.9976512 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Fatty acid metabolism | 24003-67-6; | 2918 | 172.1
 | 819 |  | Carnitine metabolism | deoxycarnitine | LC/MS pos | 36747 | C01181 | HMDB01161 |  | 0.61 | 0.56 | 0.53 | 0.52 | 0.92 | 0.87 | 0.85 | 0.95 | 0.93 | 0.98 |  | < 0.001 | 1.385005771e-05 | < 0.001 | 6.949748864e-06 | < 0.001 | 5.40804329e-06 | < 0.001 | 4.722155761e-06 | 0.275451525072544 | 0.302989097941673 | 0.080697080925894 | 0.080175352132597 | 0.046215635330024 | 0.058813793388388 | 0.491564523775961 | 0.690487003892945 | 0.336625840759334 | 0.754983710123564 | 0.77628460401499 | 0.759367957560849 |  | 1.703686 | 1.035265 | 0.9528113 | 0.903224 | 0.8835908 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Carnitine metabolism | 6249-56-5; | 759 | 146.1
 | 820 |  |  | carnitine | LC/MS pos | 15500 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.76 | 0.94 | 1.01 | 0.94 | 1.23 | 1.33 | 1.24 | 1.08 | 1.01 | 0.93 |  | < 0.001 | 0.000312819799227 | 0.265497948929559 | 0.088248239162064 | 0.726658328061811 | 0.212489336108275 | 0.374640388403992 | 0.127775830961017 | 0.002072811628529 | 0.009380718528827 | < 0.001 | 0.000270547094123 | 0.011255546080335 | 0.021485630033487 | 0.094138681545854 | 0.375000347524276 | 0.995274175045785 | 0.941853848113005 | 0.223005374856826 | 0.601914579254405 |  | 1.051581 | 0.8015116 | 0.9867232 | 1.063674 | 0.9922206 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Carnitine metabolism | 461-05-2; | 702 | 162.2
 | 821 |  |  | 3-dehydrocarnitine* | LC/MS pos | 32654 | C02636 | HMDB12154 |  | 0.45 | 0.28 | 0.6 | 0.45 | 0.63 | 1.33 | 0.99 | 2.12 | 1.58 | 0.75 |  | 0.009776446378048 | 0.006115953315836 | < 0.001 | 7.401174485e-06 | 0.012659771106806 | 0.008974469481307 | < 0.001 | 0.000782608046545 | 0.313704325216713 | 0.329069682588979 | 0.244609597401854 | 0.166102854674621 | 0.743926549401072 | 0.382448718246083 | 0.004422604219079 | 0.078190822780327 | 0.052227999531073 | 0.470637999673923 | 0.230354218958331 | 0.601914579254405 |  | 2.117144 | 0.9501974 | 0.5969535 | 1.265331 | 0.9452937 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Carnitine metabolism | 10457-99-5; | 1020 | 160.2
 | 822 |  |  | acetylcarnitine | LC/MS pos | 32198 | C02571 | HMDB00201 |  | 1.12 | 1.27 | 1.29 | 1.45 | 1.14 | 1.15 | 1.3 | 1.01 | 1.14 | 1.13 |  | 0.339037637980406 | 0.104869756653237 | 0.154231462159757 | 0.058005854044406 | 0.294703522034404 | 0.106064204956726 | 0.002049529804876 | 0.001946570949978 | 0.472345952652101 | 0.410470235569129 | 0.646548679161986 | 0.317255554187349 | 0.017258814370301 | 0.028915953054119 | 0.909441035536822 | 0.811949051953978 | 0.242030305294981 | 0.696775472130724 | 0.292558691979755 | 0.641760721737393 |  | 0.8222623 | 0.9186694 | 1.046641 | 1.057674 | 1.194282 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Carnitine metabolism | 5080-50-2; | 1203 | 204.2
 | 837 |  | Bile acid metabolism | cholate | LC/MS neg | 22842 | C00695 | HMDB00619 |  | 0.63 | 0.53 | 0.44 | 0.48 | 0.85 | 0.7 | 0.77 | 0.83 | 0.91 | 1.1 |  | 0.058766327682974 | 0.025633163850712 | 0.0135458819421 | 0.00828815436478 | 0.001616902210368 | 0.001875627130854 | 0.011499397415562 | 0.007597719038442 | 0.451752086374241 | 0.398639222442529 | 0.150453050953625 | 0.119967157688997 | 0.256765877873834 | 0.188040562900151 | 0.595539798106348 | 0.754993671568465 | 0.614078957055865 | 0.863866642340944 | 0.863708292772042 | 0.786494448759029 |  | 1.910826 | 1.196442 | 1.011442 | 0.8380231 | 0.9246695 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Bile acid metabolism | 81-25-4; | 5148 | 407.4
 | 838 |  |  | 12-dehydrocholate | LC/MS neg | 31887 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00400 |  | 0.28 | 0.28 | 0.28 | 0.28 | 1 | 1 | 1 | 1 | 1 | 1 |  | 0.004441763204864 | 0.003247419629139 | 0.004441763204864 | 0.003547164125956 | 0.004441763204864 | 0.004200727725227 | 0.004441763204864 | 0.003726887551258 |  |  |  |  |  |  |  |  |  |  |  |  |  | 1.340616 | 0.378396 | 0.378396 | 0.378396 | 0.378396 |  | 100 | 0 | 0 | 0 | 0 |  | Lipid | Bile acid metabolism | 2458-08-4;2458-08-4 ; | 4866 | 405.4
 | 841 |  |  | taurocholate | LC/MS neg | 18497 | C05122 | HMDB00036 |  | 0.8 | 0.6 | 0.5 | 0.7 | 0.75 | 0.63 | 0.88 | 0.84 | 1.17 | 1.4 |  | 0.356268565064022 | 0.108890774273863 | 0.038068249206033 | 0.01857842806297 | 0.006323262920481 | 0.00528299354583 | 0.145555675759129 | 0.059247272094835 | 0.278947521657131 | 0.30557055096148 | 0.0892117706483 | 0.084751128030828 | 0.526491958278386 | 0.314020121606167 | 0.50178207032149 | 0.693284564381256 | 0.760905826962026 | 0.901950366284153 | 0.409784567310456 | 0.667746696699377 |  | 1.615058 | 1.292371 | 0.9733753 | 0.8154938 | 1.138154 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Bile acid metabolism | 145-42-6; | 5122 | 514.3
 | 842 |  |  | chenodeoxycholate | LC/MS neg | 37789 | [NAME] | HMDB00518 |  | 2.43 | 2.24 | 1.46 | 2.24 | 0.92 | 0.6 | 0.92 | 0.65 | 1 | 1.53 |  | < 0.001 | 0.000291887494401 | 0.002176393482508 | 0.002012483730105 | 0.004753101618506 | 0.004389162228338 | 0.002153472774765 | 0.001993736106099 | 0.605314759071033 | 0.469997349492201 | 0.012473947676302 | 0.020675951008315 | 0.595962761513571 | 0.341849102388602 | 0.078144939976527 | 0.346635859034269 | 0.991197828530134 | 0.941853848113005 | 0.078738089225028 | 0.601914579254405 |  | 0.6166665 | 1.499508 | 1.38086 | 0.901719 | 1.37945 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Bile acid metabolism | 474-24-9;474-25-9; | 5250 | 391.4
 | 843 |  |  | taurochenodeoxycholate | LC/MS neg | 18494 | C05465 | HMDB00951 |  | 1.87 | 1.49 | 0.95 | 1.96 | 0.8 | 0.51 | 1.05 | 0.64 | 1.31 | 2.07 |  | 0.106532563329502 | 0.041539772544369 | 0.16581531305462 | 0.061055496980087 | 0.807334627189615 | 0.229390143415061 | 0.031337013659964 | 0.017075065448411 | 0.622517525694506 | 0.482172661927397 | 0.071654052834807 | 0.07430362793962 | 0.7971308760839 | 0.398368571523079 | 0.102946890192121 | 0.389918676517815 | 0.379902971942591 | 0.756659457016192 | 0.017304800275782 | 0.534064839509611 |  | 0.8700982 | 1.630108 | 1.297732 | 0.8252986 | 1.706081 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Bile acid metabolism | 6009-98-9; | 5218 | 498.3
 | 848 |  |  | taurodeoxycholate | LC/MS neg | 12261 | C05463 | HMDB00896 |  | 0.86 | 0.81 | 0.72 | 0.76 | 0.94 | 0.84 | 0.89 | 0.89 | 0.94 | 1.06 |  | 0.972138993618123 | 0.241021998294744 | 0.953691391703393 | 0.226425171378557 | 0.772860859990363 | 0.220936740985994 | 0.748337708911324 | 0.209727944065447 | 0.978783097819763 | 0.611436707230751 | 0.731039965965878 | 0.341974642410307 | 0.718802022387719 | 0.379503272656306 | 0.687463818772794 | 0.77698170154729 | 0.698259681104911 | 0.885311757309551 | 0.914211305617291 | 0.800443044989761 |  | 1.319757 | 1.134668 | 1.06836 | 0.9538461 | 1.007204 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Bile acid metabolism | 207737-97-1; | 5243 | 498.3
 | 862 |  |  | 6-beta-hydroxylithocholate | LC/MS neg | 36807 | C15515 | HMDB00811 |  | 1.67 | 1.2 | 1.48 | 1.37 | 0.72 | 0.89 | 0.82 | 1.23 | 1.13 | 0.92 |  | 0.092762447686021 | 0.036840275273042 | 0.663030222785679 | 0.176116050050229 | 0.111700932949172 | 0.047224442374937 | 0.294633118333374 | 0.105486453382244 | 0.23701497722212 | 0.277356353747835 | 0.764831949025419 | 0.349245157648812 | 0.488313328190885 | 0.297698446883473 | 0.313341815503408 | 0.580360602673086 | 0.585089584305831 | 0.855078147985497 | 0.648398204471834 | 0.725874937757349 |  | 0.9182115 | 1.532675 | 1.104623 | 1.3577 | 1.253572 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Bile acid metabolism |  | 4826 | 391.3
 | 864 |  |  | beta-muricholate | LC/MS pos | 31885 | C17726 | HMDB00415 |  | 1.66 | 0.88 | 0.81 | 0.84 | 0.53 | 0.49 | 0.5 | 0.92 | 0.96 | 1.04 |  | 0.194412646841498 | 0.066709689994205 | 0.26642496345727 | 0.088317670933949 | 0.153591323717275 | 0.061245211904832 | 0.204733752332309 | 0.07821407457514 | 0.077561722723834 | 0.122854695436007 | 0.047825122483412 | 0.056558956213917 | 0.058476626220723 | 0.069128548126133 | 0.611754274473132 | 0.760455045332881 | 0.691172153983341 | 0.885311757309551 | 0.934602401269853 | 0.80315509384266 |  | 1.189522 | 1.978634 | 1.042129 | 0.9630866 | 0.997043 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Bile acid metabolism | 2393-59-1; | 5191 | 391.2
 | 868 |  |  | alpha-muricholate | LC/MS pos | 34092 | C17647 | HMDB00506 |  | 1.24 | 0.88 | 0.81 | 0.86 | 0.71 | 0.65 | 0.7 | 0.92 | 0.98 | 1.06 |  | 0.641412906762199 | 0.175042213239468 | 0.299668097167717 | 0.097240661037599 | 0.148746727416363 | 0.059995171256755 | 0.273302479389413 | 0.099942558021604 | 0.279727514525104 | 0.30557055096148 | 0.18495781901377 | 0.141068130519796 | 0.238660838139 | 0.178142655153041 | 0.73642245138997 | 0.784361225381772 | 0.797404363911494 | 0.920759126473464 | 0.983808822260841 | 0.80315509384266 |  | 1.17399 | 1.459088 | 1.033606 | 0.9551061 | 1.014135 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Bile acid metabolism | 2393-58-0; | 5167 | 373.3
 | 872 |  |  | tauroursodeoxycholate | LC/MS neg | 39378 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00874 |  | 1.71 | 1.07 | 0.83 | 1.27 | 0.63 | 0.48 | 0.74 | 0.77 | 1.19 | 1.54 |  | 0.274600537776118 | 0.088684722173756 | 0.884357968327851 | 0.212840267191303 | 0.377852175604524 | 0.128727943987703 | 0.545827131926307 | 0.167754276512417 | 0.330956308428979 | 0.337120050490837 | 0.094672355291434 | 0.087408492895659 | 0.551060495389173 | 0.324534648283659 | 0.322728654469149 | 0.58619994544292 | 0.648380822905876 | 0.870747975747549 | 0.176990839559624 | 0.601914579254405 |  | 1.043888 | 1.78442 | 1.116337 | 0.8622534 | 1.32687 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Bile acid metabolism | 14605-22-2; | 5002.6 | 498.4
 | 875 |  | Glycerolipid metabolism | choline phosphate | LC/MS pos | 34396 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.32 | 1.07 | 0.84 | 0.93 | 0.81 | 0.63 | 0.7 | 0.78 | 0.87 | 1.12 |  | 0.033032036546069 | 0.016161262300945 | 0.427440348957518 | 0.125909214321331 | 0.248372854031222 | 0.091501302006095 | 0.732233961626329 | 0.206484102776554 | 0.045336468800968 | 0.085940568597529 | < 0.001 | 0.000746782446164 | 0.003208829676423 | 0.008211956246472 | 0.011251733597014 | 0.131708308272613 | 0.140833705587776 | 0.562696689647544 | 0.277299038318452 | 0.641760721737393 |  | 1.024256 | 1.355526 | 1.100683 | 0.8564683 | 0.9550135 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Glycerolipid metabolism | 72556-74-2; | 695 | 184.1
 | 876 |  |  | ethanolamine | GC/MS | 1497 | C00189 | HMDB00149 |  | 1.02 | 1.04 | 1.07 | 0.93 | 1.02 | 1.05 | 0.91 | 1.04 | 0.9 | 0.86 |  | 0.711876919026157 | 0.191382403891734 | 0.686948276052587 | 0.181294539505337 | 0.505106729281781 | 0.161866570628995 | 0.553669127310634 | 0.168273716097635 | 0.929433731313911 | 0.603054310757096 | 0.655956303042757 | 0.318898378178043 | 0.301280677323019 | 0.206363894638332 | 0.747860807290716 | 0.785455918738117 | 0.307809459763294 | 0.747154107377373 | 0.214616473537148 | 0.601914579254405 |  | 1.013971 | 1.034051 | 1.050006 | 1.089966 | 0.940879 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Glycerolipid metabolism | 141-43-5; | 1304 | 174.1
 | 877 |  |  | phosphoethanolamine | GC/MS | 12102 | C00346 | HMDB00224 |  | 2.43 | 1.41 | 1.25 | 1 | 0.58 | 0.51 | 0.41 | 0.88 | 0.71 | 0.8 |  | < 0.001 | 0.000525142010234 | 0.273081084833477 | 0.089797990790531 | 0.164184208087473 | 0.064915910265602 | 0.985714370662864 | 0.261036113088439 | 0.023070761270383 | 0.055791101802632 | 0.001927178066296 | 0.004663026558043 | < 0.001 | 0.002173544778916 | 0.928215920242945 | 0.823477305067595 | 0.277763830415509 | 0.747154107377373 | 0.178335565716342 | 0.601914579254405 |  | 0.799143 | 1.939574 | 1.127292 | 0.997602 | 0.7979621 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Glycerolipid metabolism | 1071-23-4; | 1577.3 | 299.1
 | 880 |  |  | glycerol | GC/MS | 15122 | C00116 | HMDB00131 |  | 1.57 | 1.09 | 1 | 0.99 | 0.7 | 0.64 | 0.63 | 0.92 | 0.9 | 0.99 |  | 0.018024674252904 | 0.009314590246484 | 0.34710809480851 | 0.108346558820524 | 0.708126357271746 | 0.208810305439464 | 0.818407140088335 | 0.224309339016903 | 0.036468076771363 | 0.072888176238624 | 0.012463739413915 | 0.020675951008315 | 0.010060310704825 | 0.019524121485334 | 0.19935765929725 | 0.487285238909912 | 0.1487137687564 | 0.569851795642191 | 0.640340171298804 | 0.725874937757349 |  | 0.9582884 | 1.501349 | 1.045802 | 0.9584155 | 0.9444034 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Glycerolipid metabolism | 56-81-5; | 1311 | 205
 | 881 |  |  | choline | LC/MS pos | 15506 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.23 | 1.14 | 1.21 | 1.17 | 0.92 | 0.98 | 0.95 | 1.06 | 1.03 | 0.97 |  | 0.013672787104388 | 0.007616242243056 | 0.140219946455436 | 0.054058714758216 | 0.018724853848138 | 0.011838960836423 | 0.065268715516373 | 0.031321221978704 | 0.298768457012651 | 0.319754998177799 | 0.799527223696621 | 0.357125370419707 | 0.470492145168534 | 0.289869105980522 | 0.397737892802498 | 0.639722916435706 | 0.727032558897186 | 0.891514237383316 | 0.613519931076287 | 0.710277323222947 |  | 0.8800782 | 1.085582 | 0.9997249 | 1.06425 | 1.027026 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Glycerolipid metabolism | 67-48-1; | 674 | 104.2
 | 882 |  |  | glycerol 3-phosphate (G3P) | GC/MS | 15365 | C00093 | HMDB00126 |  | 0.44 | 0.29 | 0.35 | 0.34 | 0.66 | 0.8 | 0.77 | 1.23 | 1.17 | 0.96 |  | 0.02591753860338 | 0.012976462256858 | 0.002005552321449 | 0.001897305416039 | 0.005886619222922 | 0.005038139843101 | 0.004519717687113 | 0.003769171963874 | 0.012592554006493 | 0.037634163340274 | 0.190090569503909 | 0.1434239456428 | 0.132377987708038 | 0.120897396410311 | 0.486305005462154 | 0.687683662666882 | 0.546556515158313 | 0.837166179930026 | 0.909628493774768 | 0.799841374749615 |  | 2.696496 | 1.177023 | 0.7717508 | 0.9470658 | 0.9053851 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Glycerolipid metabolism | 29849-82-9; | 1719.7 | 357.1
 | 883 |  |  | glycerophosphorylcholine (GPC) | LC/MS pos | 15990 | C00670 | HMDB00086 |  | 1.76 | 1.11 | 1.21 | 1.15 | 0.63 | 0.69 | 0.65 | 1.09 | 1.03 | 0.94 |  | 0.027896387010492 | 0.013859382233153 | 0.228251926984831 | 0.078851699289762 | 0.381545765199107 | 0.1287364202963 | 0.387677512341047 | 0.130257662048944 | 0.075703397102834 | 0.120513750038095 | 0.14351309114836 | 0.115306960679366 | 0.09790592087934 | 0.100444104922693 | 0.886834878080831 | 0.808646095851868 | 0.987679955628849 | 0.941853848113005 | 0.895853757570566 | 0.790619240461757 |  | 0.9514139 | 1.675329 | 1.059658 | 1.153455 | 1.089405 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Glycerolipid metabolism | 28319-77-9; | 694 | 258.1
 | 886 |  |  | cytidine 5'-diphosphocholine | LC/MS pos | 34418 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.21 | 1.67 | 1.45 | 1.55 | 1.38 | 1.2 | 1.28 | 0.87 | 0.93 | 1.07 |  | 0.164459514594779 | 0.058783058727654 | 0.004968901960624 | 0.003843349734659 | 0.037430320567039 | 0.020603048643425 | 0.014364457889447 | 0.009095236176697 | 0.004597115515854 | 0.018204122044689 | 0.206825448374715 | 0.148088707091058 | 0.052396279912554 | 0.063553661785865 | 0.195268304943405 | 0.486901691144311 | 0.42376440843341 | 0.779495724687071 | 0.579923357661014 | 0.700403608036641 |  | 0.7231556 | 0.8715738 | 1.204446 | 1.047088 | 1.118522 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Glycerolipid metabolism | 33818-15-4; | 777 | 489.1
 | 890 |  | Inositol metabolism | myo-inositol | GC/MS | 19934 | C00137 | HMDB00211 |  | 1.01 | 0.83 | 0.78 | 0.78 | 0.83 | 0.77 | 0.78 | 0.94 | 0.95 | 1.01 |  | 0.837042820485973 | 0.213704081324576 | 0.041110099901553 | 0.019826906293269 | 0.006437295764633 | 0.005325250344028 | 0.018364595590499 | 0.010819983752536 | 0.007151059701937 | 0.024623902629146 | < 0.001 | 0.000746782446164 | 0.005594455298679 | 0.012212060959468 | 0.35792628039671 | 0.603618329965692 | 0.48569031768966 | 0.809931988517749 | 0.976893158698894 | 0.80315509384266 |  | 1.155622 | 1.162146 | 0.9588361 | 0.8975918 | 0.9071047 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Inositol metabolism | 87-89-8; | 1924.9 | 217
 | 893 |  |  | inositol 1-phosphate (I1P) | GC/MS | 1481 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00213 |  | 1.04 | 1.11 | 1.14 | 1.06 | 1.07 | 1.09 | 1.01 | 1.02 | 0.95 | 0.93 |  | 0.71242941358192 | 0.191382403891734 | 0.282700256173454 | 0.092221345473312 | 0.206565579094932 | 0.079218203848027 | 0.525888414397782 | 0.16420938865795 | 0.523631922194993 | 0.436532745267802 | 0.408404292902323 | 0.232320032196844 | 0.844034372856588 | 0.412164074051339 | 0.830126575136742 | 0.799475044382777 | 0.609969292013119 | 0.863866642340944 | 0.46905323503755 | 0.675652003511518 |  | 0.9646716 | 1.006241 | 1.072004 | 1.095828 | 1.018551 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Inositol metabolism | 106032-59-1; | 2057.8 | 318.1
 | 903 |  | Ketone bodies | 3-hydroxybutyrate (BHBA) | GC/MS | 542 | [NAME] | HMDB00357 |  | 1.16 | 1.39 | 1.29 | 1.07 | 1.2 | 1.11 | 0.93 | 0.93 | 0.77 | 0.84 |  | 0.208228030873434 | 0.070325024748054 | 0.050677402912479 | 0.023342624897132 | 0.056165827307817 | 0.027527668745565 | 0.537891075216943 | 0.166437261200628 | 0.219722735349634 | 0.260771711426668 | 0.23780030318837 | 0.162527548571853 | 0.431640091406593 | 0.270950040214958 | 0.664222773267394 | 0.770693685851098 | 0.092356490070892 | 0.52310575172737 | 0.089447307215976 | 0.601914579254405 |  | 0.8724867 | 1.012199 | 1.213013 | 1.122429 | 0.937876 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Ketone bodies | 625-72-9; | 1203.5 | 116.9
 | 909 |  | Lysolipid | 1-palmitoylglycerophosphoethanolamine | LC/MS neg | 35631 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB11503 |  | 1.03 | 1.39 | 1.88 | 1.8 | 1.36 | 1.83 | 1.75 | 1.35 | 1.29 | 0.96 |  | 0.634889971317777 | 0.174561430053181 | 0.068734512185919 | 0.029869986172464 | 0.006220150700606 | 0.005227963627648 | 0.006703143764681 | 0.005009633284726 | 0.047534020150869 | 0.086542533791466 | 0.002719332813612 | 0.005954381169024 | 0.001526774076354 | 0.004557512814196 | 0.105483044912093 | 0.389918676517815 | 0.116522290942858 | 0.528184918895132 | 0.815897113483944 | 0.771973438276498 |  | 0.713654 | 0.7318038 | 0.9920673 | 1.339891 | 1.284017 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5940 | 452.3
 | 910 |  |  | 2-palmitoylglycerophosphoethanolamine* | LC/MS neg | 35688 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.24 | 1.48 | 1.98 | 1.89 | 1.19 | 1.6 | 1.52 | 1.34 | 1.27 | 0.95 |  | 0.186056084524936 | 0.064733118374004 | 0.025635149989079 | 0.0135892184536 | 0.003959710632694 | 0.003914021681865 | 0.002548427610173 | 0.002278029597657 | 0.197189128615663 | 0.243065965891696 | 0.024350237981213 | 0.034869937798604 | 0.012549205240822 | 0.022879834419104 | 0.144502253879676 | 0.430783098893647 | 0.111994045985872 | 0.528114298266952 | 0.853340516690304 | 0.786494448759029 |  | 0.6516086 | 0.8103066 | 0.9652836 | 1.292505 | 1.229295 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5790 | 452.3
 | 911 |  |  | 1-palmitoleoylglycerophosphoethanolamine* | LC/MS neg | 34565 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.26 | 1.94 | 1.9 | 1.76 | 1.55 | 1.51 | 1.4 | 0.98 | 0.91 | 0.93 |  | 0.235769263644138 | 0.076999276136361 | 0.007545583074811 | 0.005184255251144 | 0.011291119616339 | 0.008341257513659 | 0.011301407685787 | 0.00758085545836 | 0.027632110011858 | 0.061645306120041 | 0.050548028784681 | 0.058145810929669 | 0.038180675792641 | 0.05053434313822 | 0.863523106978715 | 0.803289319393053 | 0.61993567455354 | 0.863866642340944 | 0.800680879150619 | 0.766344131064874 |  | 0.5975048 | 0.750825 | 1.162118 | 1.133689 | 1.051767 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5661 | 450.4
 | 913 |  |  | 1-heptadecanoylglycerophosphoethanolamine* | LC/MS neg | 37419 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.95 | 1.47 | 1.79 | 1.79 | 1.55 | 1.89 | 1.89 | 1.22 | 1.22 | 1 |  | 0.89790918319992 | 0.22610345061568 | 0.067399639017046 | 0.029498358738502 | 0.02009376764417 | 0.01237014102194 | 0.022559849129378 | 0.013073825365265 | 0.043333987808516 | 0.084135683596625 | 0.010296134951855 | 0.017912415444041 | 0.011873593330535 | 0.022153472042226 | 0.331880397737448 | 0.590171585251138 | 0.373985305813121 | 0.756659457016192 | 0.935856433674406 | 0.80315509384266 |  | 0.6779805 | 0.6439 | 0.9997458 | 1.216064 | 1.21507 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 6029 | 466.3
 | 914 |  |  | 1-stearoylglycerophosphoethanolamine | LC/MS neg | 34416 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB11130 |  | 0.89 | 1.32 | 1.56 | 1.6 | 1.48 | 1.75 | 1.79 | 1.18 | 1.2 | 1.02 |  | 0.785306026561446 | 0.203729036356026 | 0.127753790238853 | 0.050036940617926 | 0.03709118103383 | 0.020577767815099 | 0.024780397469771 | 0.014121327261157 | 0.033541502020964 | 0.06855278726436 | 0.007685193394881 | 0.014230176447832 | 0.003605303983984 | 0.008932137264412 | 0.369603373966953 | 0.612915495077984 | 0.267903772066519 | 0.738009446507402 | 0.884754233547078 | 0.790619240461757 |  | 0.837992 | 0.7484004 | 1.110277 | 1.308542 | 1.336962 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid | 69747-55-3; | 6200 | 480.4
 | 915 |  |  | 1-oleoylglycerophosphoethanolamine | LC/MS neg | 35628 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB11506 |  | 2.03 | 2.26 | 2.13 | 2.37 | 1.11 | 1.05 | 1.17 | 0.94 | 1.05 | 1.11 |  | 0.005213658127314 | 0.003686097675705 | 0.002513639853476 | 0.002265667456401 | 0.00575915288653 | 0.004989898537705 | 0.001328085606734 | 0.001408039542012 | 0.589153881223396 | 0.465434614874348 | 0.862687392572997 | 0.375229893968769 | 0.340120101538697 | 0.227611609445817 | 0.759701076654187 | 0.786583014371277 | 0.708139554411318 | 0.885311757309551 | 0.515464626956872 | 0.69370762442494 |  | 0.4896035 | 0.9945233 | 1.104261 | 1.043221 | 1.16014 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5928 | 478.3
 | 916 |  |  | 2-oleoylglycerophosphoethanolamine* | LC/MS neg | 35687 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.18 | 1.91 | 1.96 | 2.03 | 0.88 | 0.9 | 0.93 | 1.02 | 1.06 | 1.04 |  | 0.004650645959186 | 0.003361932224653 | 0.012855319503988 | 0.007944679848561 | 0.015856306969815 | 0.010700075244437 | 0.007587749287048 | 0.005461826033916 | 0.450448771306793 | 0.398599444056394 | 0.530652336906172 | 0.275137220065329 | 0.69563425428406 | 0.371719640173769 | 0.974386919217687 | 0.824242568548748 | 0.705474322791945 | 0.885311757309551 | 0.76591416960057 | 0.759367957560849 |  | 0.5230427 | 1.140885 | 1.000963 | 1.022889 | 1.060969 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5848 | 478.3
 | 917 |  |  | 1-linoleoylglycerophosphoethanolamine* | LC/MS neg | 32635 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB11507 |  | 0.49 | 0.62 | 0.61 | 0.57 | 1.28 | 1.26 | 1.18 | 0.98 | 0.92 | 0.93 |  | 0.052005172521669 | 0.023316336899922 | 0.229700824009785 | 0.079129958749012 | 0.218814964540228 | 0.08256237957688 | 0.150612811869143 | 0.060584494860507 | 0.200739467212373 | 0.244517084340205 | 0.478301863730251 | 0.256851025184513 | 0.292028178502139 | 0.201918269354234 | 0.795564758295734 | 0.799404399085483 | 0.716625687190758 | 0.891514237383316 | 0.987729570066739 | 0.803162398364487 |  | 1.645166 | 0.7982208 | 1.024133 | 1.005549 | 0.9399881 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5725 | 476.3
 | 918 |  |  | 2-linoleoylglycerophosphoethanolamine* | LC/MS neg | 36593 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.23 | 0.41 | 0.42 | 0.36 | 1.75 | 1.78 | 1.52 | 1.02 | 0.87 | 0.86 |  | < 0.001 | 6.1067784145e-05 | 0.001783685332961 | 0.00172727354942 | 0.003801962287006 | 0.003784746654131 | < 0.001 | 0.000726153963956 | 0.011426217023146 | 0.036007498067461 | 0.023131609050998 | 0.033351723776519 | 0.02470427153969 | 0.036879821256129 | 0.994065567638323 | 0.827867331897739 | 0.485616451376862 | 0.809931988517749 | 0.578407243579271 | 0.700403608036641 |  | 2.368954 | 0.5560009 | 0.9735501 | 0.9883872 | 0.8469784 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5650 | 476.4
 | 919 |  |  | 1-arachidonoylglycerophosphoethanolamine* | LC/MS neg | 35186 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB11517 |  | 1.55 | 0.53 | 0.27 | 0.34 | 0.34 | 0.18 | 0.22 | 0.52 | 0.63 | 1.23 |  | 0.054035206191045 | 0.023975876465603 | 0.020973978622626 | 0.011772765315283 | < 0.001 | 0.00039225777583 | < 0.001 | 0.000586158786209 | < 0.001 | 0.001127833119081 | < 0.001 | 2.148135658e-05 | < 0.001 | 1.4501985445e-05 | 0.019676119393554 | 0.193470976947553 | 0.074207546564764 | 0.513961012733576 | 0.305884741626767 | 0.641760721737393 |  | 2.121051 | 3.284849 | 1.127639 | 0.5816806 | 0.7135449 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5731 | 500.3
 | 920 |  |  | 2-arachidonoylglycerophosphoethanolamine* | LC/MS pos | 34656 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.81 | 0.65 | 0.39 | 0.42 | 0.36 | 0.22 | 0.23 | 0.6 | 0.65 | 1.09 |  | 0.237287822916403 | 0.07729902806855 | 0.838693222070173 | 0.206112974601282 | 0.443595332908993 | 0.144799357367371 | 0.363590138209543 | 0.124628592712363 | 0.176399306470573 | 0.228089397292313 | 0.033714546220095 | 0.044357047758876 | 0.032048075360106 | 0.045509226988466 | 0.020006546609066 | 0.193470976947553 | 0.10727150587811 | 0.52310575172737 | 0.673296949577208 | 0.729165073473675 |  | 1.798072 | 3.251143 | 1.174571 | 0.700008 | 0.7601712 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5525 | 502.3
 | 922 |  |  | 2-docosapentaenoylglycerophosphoethanolamine* | LC/MS pos | 34875 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.99 | 3.48 | 1.13 | 1.81 | 3.51 | 1.14 | 1.82 | 0.32 | 0.52 | 1.61 |  | 0.91097400494687 | 0.228945283222954 | < 0.001 | 0.000686768051101 | 0.434776673005978 | 0.142917852438215 | 0.118167234194094 | 0.049574456558417 | < 0.001 | 0.003155775706924 | 0.384636361436543 | 0.225661171674742 | 0.10667142930962 | 0.106618740262988 | < 0.001 | 0.017399124642297 | 0.036386683655401 | 0.46182390860505 | 0.26127126938542 | 0.634836138201308 |  | 0.7812477 | 0.7754128 | 2.721337 | 0.8803588 | 1.414351 |  | 75 | 75 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5548 | 528.2
 | 923 |  |  | 2-docosahexaenoylglycerophosphoethanolamine* | LC/MS pos | 34258 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.14 | 1 | 1.97 | 1.44 | 0.87 | 1.73 | 1.26 | 1.98 | 1.44 | 0.73 |  | 0.729547759500941 | 0.193965669386818 | 0.430738332288228 | 0.126347828293395 | 0.031955450759711 | 0.018007778051391 | 0.378238861345284 | 0.12846056937149 | 0.749963327936621 | 0.533271375473622 | 0.087632051348248 | 0.084233366965319 | 0.625312970207774 | 0.354875324815689 | 0.005859868341561 | 0.090134160764369 | 0.75900088679721 | 0.901950366284153 | 0.149470684720195 | 0.601914579254405 |  | 0.8648286 | 0.9884735 | 0.8613499 | 1.705364 | 1.243773 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5512 | 526.2
 | 925 |  |  | 1-stearoylglycerophosphoglycerol | LC/MS neg | 34437 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.03 | 2.57 | 1.67 | 2.31 | 1.27 | 0.82 | 1.14 | 0.65 | 0.9 | 1.38 |  | 0.047167953679313 | 0.021446492599352 | 0.149003014501744 | 0.056558339026334 | 0.330968740215423 | 0.116201245071491 | 0.021737112054903 | 0.012677481239424 | 0.847243532609512 | 0.578448355128658 | 0.448088610070091 | 0.246925441653192 | 0.682965410187158 | 0.37075137481025 | 0.632868884702359 | 0.768564818292656 | 0.612681055612028 | 0.863866642340944 | 0.285322542768362 | 0.641760721737393 |  | 0.8067856 | 1.63589 | 2.074577 | 1.34714 | 1.863647 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5826 | 511.4
 | 926 |  |  | 1-myristoylglycerophosphocholine | LC/MS pos | 35626 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB10379 |  | 1.66 | 1.51 | 2.13 | 1.51 | 0.91 | 1.28 | 0.91 | 1.41 | 1 | 0.71 |  | 0.102475332659921 | 0.040324339387809 | 0.107851291151606 | 0.043204956824957 | 0.010439988802436 | 0.007941153882714 | 0.198782709636811 | 0.076153327012999 | 0.870182955168768 | 0.582805632247375 | 0.271861714428368 | 0.180531955542696 | 0.731338405931748 | 0.379503272656306 | 0.157686735587028 | 0.436336309713538 | 0.828932108146156 | 0.929853651067369 | 0.164208310946446 | 0.601914579254405 |  | 0.5491257 | 0.9109523 | 0.8274612 | 1.169303 | 0.8284634 |  | 50 | 87.5 | 100 | 100 | 75 |  | Lipid | Lysolipid | 20559-16-4; | 5481 | 468.3
 | 928 |  |  | 1-pentadecanoylglycerophosphocholine* | LC/MS pos | 37418 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.92 | 2 | 2.85 | 2.14 | 1.04 | 1.48 | 1.11 | 1.43 | 1.07 | 0.75 |  | 0.04131310942179 | 0.01961617239236 | 0.037460239304987 | 0.018392458255277 | 0.017115614863236 | 0.011070848133518 | 0.066043356345803 | 0.031492249394938 | 0.930133109304905 | 0.603054310757096 | 0.498003660934013 | 0.263399387463202 | 0.970006386482531 | 0.445925690083495 | 0.554696801006986 | 0.726192837659123 | 0.910864427184584 | 0.941853848113005 | 0.531152000209485 | 0.698535954001081 |  | 0.3976102 | 0.7651886 | 0.7946962 | 1.133013 | 0.8504559 |  | 37.5 | 87.5 | 87.5 | 87.5 | 75 |  | Lipid | Lysolipid |  | 5563 | 482.3
 | 929 |  |  | 1-palmitoylglycerophosphocholine | LC/MS pos | 33955 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.35 | 1.53 | 1.73 | 1.37 | 1.13 | 1.28 | 1.01 | 1.13 | 0.9 | 0.79 |  | 0.439329891246504 | 0.128479475082254 | 0.075960612582918 | 0.032437141323374 | 0.043780812028053 | 0.023342447249046 | 0.294026016667007 | 0.105486453382244 | 0.379892640183545 | 0.361402335691251 | 0.235799024381406 | 0.161684700226937 | 0.852835269966998 | 0.415327188559513 | 0.302110611588713 | 0.578555341097162 | 0.387526438944547 | 0.756659457016192 | 0.202014814856511 | 0.601914579254405 |  | 0.6920515 | 0.9351245 | 1.056301 | 1.194335 | 0.9490613 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid | 17364-16-8; | 5671 | 496.4
 | 930 |  |  | 2-palmitoylglycerophosphocholine* | LC/MS pos | 35253 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.7 | 1.68 | 1.72 | 1.37 | 0.99 | 1.01 | 0.8 | 1.02 | 0.81 | 0.8 |  | 0.153459533815092 | 0.055780999225113 | 0.064804885392588 | 0.028976750590499 | 0.052682731318406 | 0.026037426944485 | 0.290382359952427 | 0.104787507935987 | 0.680668607298296 | 0.506174696095706 | 0.576213782710786 | 0.292987166984629 | 0.655425202934133 | 0.36256209272489 | 0.819509607503888 | 0.799404399085483 | 0.352298870315723 | 0.754983710123564 | 0.283446328042389 | 0.641760721737393 |  | 0.6997321 | 1.187488 | 1.17491 | 1.200172 | 0.95575 |  | 62.5 | 87.5 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5604 | 496.3
 | 931 |  |  | 1-palmitoleoylglycerophosphocholine* | LC/MS pos | 33230 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.84 | 2.41 | 2.71 | 2.04 | 1.31 | 1.47 | 1.1 | 1.12 | 0.84 | 0.75 |  | 0.154718362502669 | 0.056080152300303 | 0.020031365820195 | 0.011565850148512 | 0.011879187189324 | 0.008684276027284 | 0.178216451246267 | 0.070241990218525 | 0.262958373359397 | 0.293151411217188 | 0.137848688853237 | 0.112472987524597 | 0.99850319361561 | 0.453653146922506 | 0.475268203195105 | 0.681652329955189 | 0.31675167421335 | 0.747154107377373 | 0.185913489431498 | 0.601914579254405 |  | 0.5095146 | 0.9391257 | 1.228253 | 1.379548 | 1.037471 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5524 | 494.3
 | 932 |  |  | 2-palmitoleoylglycerophosphocholine* | LC/MS pos | 35819 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.96 | 2.05 | 2.84 | 1.99 | 1.05 | 1.44 | 1.01 | 1.38 | 0.97 | 0.7 |  | 0.119368875284881 | 0.045713818708868 | 0.028918576037603 | 0.014943301175347 | 0.010796172645035 | 0.008103569031692 | 0.19620079921171 | 0.075638673286195 | 0.495048268569642 | 0.420448708463503 | 0.187264941745877 | 0.142312159265564 | 0.864591897620965 | 0.416214627572634 | 0.27536203361738 | 0.566039098455256 | 0.442392507174084 | 0.785935084584934 | 0.194300807020622 | 0.601914579254405 |  | 0.4543068 | 0.8927066 | 0.9330036 | 1.288481 | 0.9022644 |  | 62.5 | 87.5 | 100 | 100 | 75 |  | Lipid | Lysolipid |  | 5482 | 494.3
 | 933 |  |  | 1-heptadecanoylglycerophosphocholine | LC/MS pos | 33957 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB12108 |  | 1.22 | 1.18 | 1.46 | 1.16 | 0.97 | 1.2 | 0.95 | 1.24 | 0.98 | 0.79 |  | 0.281949010532141 | 0.090248542923428 | 0.144049966684844 | 0.055189280478819 | 0.074889338170312 | 0.033799301505853 | 0.334788534333765 | 0.118009601019883 | 0.657150545660339 | 0.496849844842495 | 0.314746314479506 | 0.195445759699236 | 0.899605645642188 | 0.426564693307601 | 0.334727798356657 | 0.590187641714892 | 0.564371585732079 | 0.845484501384533 | 0.269798807092011 | 0.641760721737393 |  | 0.7717118 | 0.9425172 | 0.9105811 | 1.128724 | 0.8938957 |  | 75 | 87.5 | 100 | 100 | 87.5 |  | Lipid | Lysolipid | 50930-23-9; | 5750 | 510.4
 | 934 |  |  | 1-stearoylglycerophosphocholine | LC/MS pos | 33961 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.57 | 1.56 | 1.58 | 1.25 | 1 | 1.01 | 0.79 | 1.01 | 0.8 | 0.79 |  | 0.296093701342499 | 0.093575026478599 | 0.109809677976009 | 0.043846658684187 | 0.073019550239402 | 0.033276417066666 | 0.422576906564982 | 0.138263634654781 | 0.666187030384223 | 0.500101354824565 | 0.502091806126145 | 0.264233842309918 | 0.745640093949277 | 0.382485304047695 | 0.672482830551702 | 0.771306861491745 | 0.37350829734577 | 0.756659457016192 | 0.244945580673533 | 0.617076054884406 |  | 0.9090035 | 1.427572 | 1.420471 | 1.4399 | 1.13369 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid | 19420-57-6; | 5844 | 524.4
 | 935 |  |  | 2-stearoylglycerophosphocholine* | LC/MS pos | 35255 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.47 | 1.09 | 1.05 | 0.96 | 0.74 | 0.71 | 0.65 | 0.96 | 0.88 | 0.92 |  | 0.205444991262638 | 0.069567698868531 | 0.203945254881441 | 0.072321576668137 | 0.152612197816099 | 0.061245211904832 | 0.505060344169003 | 0.158429215843925 | 0.853301083102657 | 0.580083735558421 | 0.995397513745525 | 0.409970763373224 | 0.470077251841388 | 0.289869105980522 | 0.767128226322249 | 0.78879969702104 | 0.49374790661265 | 0.809931988517749 | 0.366185462430488 | 0.648124983010399 |  | 0.8330021 | 1.224903 | 0.9114398 | 0.8729057 | 0.7994932 |  | 62.5 | 87.5 | 100 | 100 | 87.5 |  | Lipid | Lysolipid |  | 5780 | 524.4
 | 936 |  |  | 1-oleoylglycerophosphocholine | LC/MS pos | 33960 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.36 | 2.51 | 2.1 | 1.91 | 1.06 | 0.89 | 0.81 | 0.84 | 0.76 | 0.91 |  | 0.112484285307885 | 0.043335225780605 | 0.027331760477921 | 0.014182926831187 | 0.030175750659488 | 0.017430102083486 | 0.170348616112567 | 0.067530195385326 | 0.553390265767827 | 0.448464990895158 | 0.603869006472735 | 0.302023772377603 | 0.743476673765464 | 0.382448718246083 | 0.841722184040628 | 0.799475044382777 | 0.294761232081667 | 0.747154107377373 | 0.321544377535018 | 0.641760721737393 |  | 0.5884968 | 1.387024 | 1.476193 | 1.235962 | 1.12193 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid | 19420-56-5; | 5700 | 522.4
 | 937 |  |  | 2-oleoylglycerophosphocholine* | LC/MS pos | 35254 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 3.11 | 2.43 | 3.06 | 2.12 | 0.78 | 0.98 | 0.68 | 1.26 | 0.87 | 0.69 |  | 0.06853654536463 | 0.028914657176926 | 0.021527028392666 | 0.011979492286549 | 0.010000397883637 | 0.007670334637343 | 0.116539868458985 | 0.049069982164709 | 0.823340450985531 | 0.568252134970847 | 0.482251742341321 | 0.258313171975006 | 0.663084628711692 | 0.364203787120765 | 0.314984541918109 | 0.580360602673086 | 0.39620656221464 | 0.768066159257942 | 0.173670443016598 | 0.601914579254405 |  | 0.5144317 | 1.600617 | 1.250296 | 1.574201 | 1.092355 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5640 | 522.4
 | 938 |  |  | 1-linoleoylglycerophosphocholine | LC/MS pos | 34419 | C04100 | http://www.hmdb.ca/metabolites/ |  | 0.56 | 0.72 | 0.78 | 0.51 | 1.29 | 1.38 | 0.91 | 1.08 | 0.71 | 0.66 |  | 0.835009469239863 | 0.213608776564967 | 0.518553972396547 | 0.145270037146542 | 0.400419476125535 | 0.133817842756101 | 0.715238628888155 | 0.204268441162329 | 0.289463777037254 | 0.314040515696638 | 0.197259427972565 | 0.144936653700981 | 0.856873911973097 | 0.415735429198829 | 0.666495062379554 | 0.770693685851098 | 0.217798353984606 | 0.675581393708759 | 0.147656760090644 | 0.601914579254405 |  | 1.699321 | 0.953737 | 1.226645 | 1.320541 | 0.8652309 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5574 | 520.4
 | 939 |  |  | 2-linoleoylglycerophosphocholine* | LC/MS pos | 35257 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.46 | 0.57 | 0.7 | 0.49 | 1.26 | 1.53 | 1.08 | 1.22 | 0.86 | 0.71 |  | 0.483720871625687 | 0.138317773706806 | 0.92259505161785 | 0.220746895333497 | 0.656333543381059 | 0.197267636652644 | 0.56080338293783 | 0.168957607312583 | 0.259553142958084 | 0.291575811159596 | 0.135155954418957 | 0.111573305718806 | 0.902370746878078 | 0.426564693307601 | 0.425015566255887 | 0.658464193730359 | 0.347988559910072 | 0.754983710123564 | 0.192279137478239 | 0.601914579254405 |  | 1.922461 | 0.8766884 | 1.101 | 1.339263 | 0.9475165 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5544 | 520.4
 | 941 |  |  | 1-eicosadienoylglycerophosphocholine* | LC/MS pos | 33871 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.05 | 0.9 | 0.62 | 1.13 | 0.85 | 0.59 | 1.08 | 0.69 | 1.26 | 1.84 |  | 0.461226509940886 | 0.133068444348956 | 0.935899095731617 | 0.223495303268039 | 0.360524227006253 | 0.124612653376933 | 0.941300987898565 | 0.25144154992333 | 0.363326560689676 | 0.350911509410527 | 0.017011480559873 | 0.025949459966074 | 0.505352199282191 | 0.304893530343847 | 0.193294946588732 | 0.484850055581086 | 0.996104209990742 | 0.941853848113005 | 0.306143316979117 | 0.641760721737393 |  | 1.093249 | 1.150307 | 0.9792739 | 0.6738551 | 1.23864 |  | 75 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5696 | 548.3
 | 942 |  |  | 1-eicosatrienoylglycerophosphocholine* | LC/MS pos | 33821 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.26 | 2.01 | 0.84 | 0.94 | 0.89 | 0.37 | 0.41 | 0.42 | 0.47 | 1.11 |  | 0.072755931781552 | 0.03039578526512 | 0.039033972737679 | 0.018974434246981 | 0.560973002590152 | 0.175365331940441 | 0.580580458596508 | 0.174130987529138 | 0.940840854591518 | 0.603341956742482 | 0.094272860599663 | 0.087408492895659 | 0.122831156433717 | 0.114881618950337 | 0.023601956835116 | 0.202977623313684 | 0.050322132438883 | 0.470637999673923 | 0.987179668244998 | 0.803162398364487 |  | 0.8990855 | 2.030169 | 1.803689 | 0.7582408 | 0.8423651 |  | 62.5 | 87.5 | 100 | 100 | 87.5 |  | Lipid | Lysolipid |  | 5600 | 546.4
 | 943 |  |  | 2-eicosatrienoylglycerophosphocholine* | LC/MS pos | 35884 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.01 | 1.39 | 0.77 | 0.85 | 1.37 | 0.76 | 0.85 | 0.55 | 0.62 | 1.11 |  | 0.351853981669471 | 0.10779754163986 | 0.091503262233241 | 0.037738617552589 | 0.428118221191973 | 0.141059465836693 | 0.586827719479037 | 0.175619570845551 | 0.245408671471508 | 0.280662535285537 | 0.714311643497295 | 0.336207191260677 | 0.627814967715272 | 0.354875324815689 | 0.038645725666991 | 0.271422875720291 | 0.117863845783691 | 0.528184918895132 | 0.802482556443843 | 0.766344131064874 |  | 0.9764401 | 0.9845707 | 1.353146 | 0.7495088 | 0.8326936 |  | 50 | 87.5 | 100 | 100 | 87.5 |  | Lipid | Lysolipid |  | 5565 | 546.3
 | 944 |  |  | 1-arachidonoylglycerophosphocholine* | LC/MS pos | 33228 | C05208 | http://www.hmdb.ca/metabolites/ |  | 3.33 | 0.9 | 0.45 | 0.4 | 0.27 | 0.14 | 0.12 | 0.51 | 0.44 | 0.87 |  | 0.08513487651595 | 0.034557628005482 | 0.558887182555424 | 0.153767030976772 | 0.663551684608539 | 0.199010973779847 | 0.341691923768095 | 0.119556100709809 | 0.114963571970254 | 0.163494899764994 | 0.020851405211273 | 0.030481626231339 | 0.00920803784897 | 0.018328316998086 | 0.081521542921786 | 0.354157862465811 | 0.034662893379741 | 0.460143725312943 | 0.349245080395677 | 0.648124983010399 |  | 1.898973 | 6.324275 | 1.701325 | 0.863553 | 0.7519562 |  | 100 | 100 | 100 | 100 | 87.5 |  | Lipid | Lysolipid |  | 5554 | 544.3
 | 945 |  |  | 2-arachidonoylglycerophosphocholine* | LC/MS pos | 35256 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.02 | 0.55 | 0.29 | 0.3 | 0.27 | 0.14 | 0.15 | 0.52 | 0.54 | 1.04 |  | 0.31066519565672 | 0.097262730268445 | 0.971009146289362 | 0.228770183214006 | 0.280747997040692 | 0.102353820690789 | 0.19645720104645 | 0.075638673286195 | 0.214754074103368 | 0.256725995334329 | 0.049985133021211 | 0.058133647741654 | 0.035952270614832 | 0.048678729048823 | 0.03004813011808 | 0.232087916173053 | 0.080935850321353 | 0.52310575172737 | 0.5465644318404 | 0.698535954001081 |  | 2.548423 | 5.14241 | 1.39046 | 0.7267833 | 0.7564504 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5524 | 544.3
 | 946 |  |  | 1-docosapentaenoylglycerophosphocholine* | LC/MS pos | 37231 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.37 | 2.14 | 0.82 | 0.9 | 1.56 | 0.6 | 0.66 | 0.38 | 0.42 | 1.1 |  | 0.391557728610328 | 0.117391976116094 | 0.02056752609632 | 0.011656520329803 | 0.635461470691397 | 0.193480151995015 | 0.784021741110312 | 0.217059924985919 | 0.146110733162489 | 0.19951173425702 | 0.178690815864145 | 0.137736306042852 | 0.255991865171455 | 0.188040562900151 | 0.004629051608074 | 0.078190822780327 | 0.008972346494659 | 0.422795336908257 | 0.844554107769807 | 0.786494448759029 |  | 0.7539641 | 1.036331 | 1.616033 | 0.6195666 | 0.6795107 |  | 37.5 | 75 | 100 | 62.5 | 37.5 |  | Lipid | Lysolipid |  | 5584 | 570.4
 | 948 |  |  | 1-docosahexaenoylglycerophosphocholine* | LC/MS pos | 33822 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.46 | 1.16 | 2.81 | 1.4 | 0.8 | 1.93 | 0.96 | 2.42 | 1.21 | 0.5 |  | 0.348698621158826 | 0.107085799695683 | 0.236556020520742 | 0.080588561926633 | 0.015601838545426 | 0.010616840823898 | 0.404866037131175 | 0.134072524419677 | 0.914638278766558 | 0.601141407185025 | 0.057863674980575 | 0.063107201043085 | 0.917806867420327 | 0.430934217768706 | 0.002301908679672 | 0.051054111298582 | 0.816083528003318 | 0.920759126473464 | 0.05297784164462 | 0.58796195761271 |  | 0.7191142 | 1.047771 | 0.833351 | 2.018899 | 1.010339 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5518 | 568.4
 | 949 |  |  | 2-docosahexaenoylglycerophosphocholine* | LC/MS pos | 35883 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.98 | 0.74 | 1.78 | 1.19 | 0.75 | 1.81 | 1.21 | 2.42 | 1.61 | 0.67 |  | 0.766372206395117 | 0.199622033009501 | 0.729053743016456 | 0.187969664926574 | 0.045361594541907 | 0.023669231324418 | 0.565828202983344 | 0.170079388380986 | 0.989023608401036 | 0.611943049203883 | 0.057920431681751 | 0.063107201043085 | 0.762595635612712 | 0.387766414572867 | 0.002644441075585 | 0.055718591566347 | 0.698966567237465 | 0.885311757309551 | 0.123243254796373 | 0.601914579254405 |  | 1.112716 | 1.092263 | 0.8191357 | 1.979526 | 1.322605 |  | 100 | 87.5 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5507 | 568.3
 | 951 |  |  | 1-palmitoylglycerophosphoinositol* | LC/MS neg | 35305 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.18 | 1.46 | 1.22 | 1.43 | 1.24 | 1.04 | 1.22 | 0.84 | 0.98 | 1.17 |  | 0.305668765061445 | 0.095931863933157 | 0.208002014312899 | 0.07350804949431 | 0.32391819879417 | 0.114235318913691 | 0.068902111809262 | 0.032494737026032 | 0.65169511897734 | 0.495214532486932 | 0.991488634740093 | 0.40924450955992 | 0.217336378398399 | 0.166205561395423 | 0.677224541177359 | 0.771306861491745 | 0.629778008052452 | 0.863866642340944 | 0.277054601498772 | 0.641760721737393 |  | 0.913967 | 1.075618 | 1.333383 | 1.113736 | 1.308007 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5573 | 571.3
 | 954 |  |  | 1-stearoylglycerophosphoinositol | LC/MS neg | 19324 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.9 | 1.13 | 1.23 | 1.62 | 1.27 | 1.37 | 1.8 | 1.08 | 1.43 | 1.32 |  | 0.638887252615325 | 0.174912981303453 | 0.781915158562042 | 0.197580043881326 | 0.382940385467135 | 0.128897126835855 | 0.037731739569631 | 0.019400087250616 | 0.486072711548905 | 0.416172926820093 | 0.197603589547846 | 0.144936653700981 | 0.016467327487973 | 0.0277897979796 | 0.594922375861067 | 0.754993671568465 | 0.094849351082172 | 0.52310575172737 | 0.201556895396487 | 0.601914579254405 |  | 1.06562 | 0.9558592 | 1.2092 | 1.310059 | 1.724688 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5800 | 599.4
 | 955 |  |  | 2-stearoylglycerophosphoinositol* | LC/MS neg | 39223 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.1 | 1.28 | 1.49 | 1.27 | 1.16 | 1.36 | 1.15 | 1.17 | 0.99 | 0.85 |  | 0.401511520129738 | 0.119594151209851 | 0.144548288261824 | 0.055208212206885 | 0.018966002911929 | 0.011937656320332 | 0.312218367996453 | 0.111200237930018 | 0.370677200163263 | 0.3558412103592 | 0.048469262610564 | 0.056683832351214 | 0.640978724285754 | 0.358052647799538 | 0.325821195648157 | 0.58927720728249 | 0.813810217376132 | 0.920759126473464 | 0.291425937596109 | 0.641760721737393 |  | 0.7156873 | 0.7854567 | 0.913517 | 1.067052 | 0.9068378 |  | 75 | 87.5 | 87.5 | 87.5 | 62.5 |  | Lipid | Lysolipid |  | 5751.6 | 599.4
 | 956 |  |  | 1-oleoylglycerophosphoinositol* | LC/MS neg | 36602 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.44 | 2.66 | 2.15 | 3.55 | 1.09 | 0.88 | 1.45 | 0.81 | 1.33 | 1.65 |  | 0.008777987115165 | 0.005591640563452 | 0.011074285370071 | 0.007168176856 | 0.012169231073243 | 0.008714755118337 | 0.001211836094864 | 0.001325904860017 | 0.97612556668864 | 0.611436707230751 | 0.717113737336027 | 0.336207191260677 | 0.113675539766417 | 0.109115414275998 | 0.773294410983269 | 0.78879969702104 | 0.149284683583683 | 0.569851795642191 | 0.040034410573198 | 0.534064839509611 |  | 0.5306572 | 1.296908 | 1.410837 | 1.139737 | 1.88196 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5577 | 597.4
 | 957 |  |  | 1-linoleoylglycerophosphoinositol* | LC/MS neg | 36594 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.36 | 0.3 | 0.36 | 0.51 | 0.83 | 0.99 | 1.4 | 1.19 | 1.68 | 1.41 |  | 0.002959325766894 | 0.002394921751329 | < 0.001 | 0.000911695487616 | 0.00868848098962 | 0.006737726874081 | 0.026151075644622 | 0.01478906509711 | 0.954748674984752 | 0.609849403519177 | 0.846336445856644 | 0.371053523181965 | 0.10901051121453 | 0.10757162443236 | 0.856424761384725 | 0.799475044382777 | 0.019873766148528 | 0.422795336908257 | 0.151999599575607 | 0.601914579254405 |  | 2.662952 | 0.9605817 | 0.8018281 | 0.9518827 | 1.345708 |  | 100 | 100 | 100 | 87.5 | 100 |  | Lipid | Lysolipid |  | 5487 | 595.3
 | 959 |  |  | 1-arachidonoylglycerophosphoinositol* | LC/MS neg | 34214 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.4 | 1.32 | 0.82 | 1 | 0.55 | 0.34 | 0.42 | 0.62 | 0.76 | 1.22 |  | 0.010411491455707 | 0.006420067422186 | 0.408046673232852 | 0.122099707021677 | 0.493286608047008 | 0.159168890865635 | 0.994661064024766 | 0.26110541948405 | 0.048338330235255 | 0.087503999659101 | 0.002118611002951 | 0.004847621394087 | 0.008072126141293 | 0.0167846106261 | 0.13025517882724 | 0.427640902347685 | 0.387913911876382 | 0.756659457016192 | 0.465260343116301 | 0.675652003511518 |  | 0.9958434 | 2.391023 | 1.312239 | 0.8195331 | 0.9970732 |  | 87.5 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 5479 | 619.4
 | 960 |  |  | 2-arachidonoylglycerophosphoinositol* | LC/MS neg | 38077 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.6 | 0.74 | 0.41 | 0.59 | 1.24 | 0.69 | 0.98 | 0.56 | 0.79 | 1.42 |  | 0.6177014404521 | 0.171299584947257 | 0.804750706410169 | 0.200113430903484 | 0.484798625883651 | 0.156790509876005 | 0.993423167294703 | 0.26110541948405 | 0.737288297827115 | 0.528432329839053 | 0.114760976951847 | 0.098603754043934 | 0.4502472653037 | 0.280363088194369 | 0.247592249695627 | 0.535055294521574 | 0.73464204713289 | 0.891514237383316 | 0.383537952556815 | 0.648124983010399 |  | 2.303193 | 1.380279 | 1.714018 | 0.9545665 | 1.354228 |  | 87.5 | 100 | 100 | 87.5 | 100 |  | Lipid | Lysolipid |  | 5456 | 619.3
 | 964 |  |  | 1-palmitoylplasmenylethanolamine* | LC/MS neg | 39270 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 3.95 | 3.16 | 2.42 | 3.07 | 0.8 | 0.61 | 0.78 | 0.77 | 0.97 | 1.27 |  | < 0.001 | 0.000364404956716 | < 0.001 | 0.000860301274706 | 0.001279356288348 | 0.001632476524539 | < 0.001 | 0.00046442940754 | 0.466125134259549 | 0.406789940830427 | 0.137616826950634 | 0.112472987524597 | 0.519789830667761 | 0.311185627852687 | 0.420833164281809 | 0.654550417727912 | 0.881760074520511 | 0.937861296555617 | 0.288216295000609 | 0.641760721737393 |  | 0.4219526 | 1.667068 | 1.331913 | 1.021694 | 1.296043 |  | 50 | 100 | 100 | 100 | 100 |  | Lipid | Lysolipid |  | 6153 | 436.4
 | 970 |  | Monoacylglycerol | 1-palmitoylglycerol (1-monopalmitin) | GC/MS | 21127 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.83 | 1.08 | 1.14 | 1.02 | 1.3 | 1.38 | 1.24 | 1.06 | 0.95 | 0.9 |  | 0.129034861875042 | 0.048548591248987 | 0.41660938993731 | 0.123502668652854 | 0.174166603043455 | 0.067718261673929 | 0.917831911971985 | 0.246133920320087 | 0.049382003492375 | 0.088383205407651 | 0.025234182026541 | 0.035650716323945 | 0.13544333300075 | 0.122258561065551 | 0.537894373110326 | 0.71504598138706 | 0.564041498749734 | 0.845484501384533 | 0.295683592789623 | 0.641760721737393 |  | 0.9956568 | 0.8239952 | 1.073853 | 1.135377 | 1.018857 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Monoacylglycerol | 542-44-9; | 2119.5 | 371.3
 | 972 |  |  | 1-stearoylglycerol (1-monostearin) | GC/MS | 21188 | D01947 | http://www.hmdb.ca/metabolites/ |  | 0.67 | 1.05 | 1.02 | 0.93 | 1.57 | 1.54 | 1.4 | 0.98 | 0.89 | 0.91 |  | < 0.001 | 0.000125917885319 | 0.566605462755218 | 0.155101557313577 | 0.71353850756132 | 0.209525864296465 | 0.23824981950007 | 0.089272604918155 | < 0.001 | 0.000569371245958 | < 0.001 | 0.000241538594384 | < 0.001 | 0.002173544778916 | 0.817788583759328 | 0.799404399085483 | 0.160466906803931 | 0.580428362557701 | 0.187094534838388 | 0.601914579254405 |  | 1.056753 | 0.7050025 | 1.105015 | 1.08256 | 0.9872997 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Monoacylglycerol | 123-94-4; | 2186.6 | 399.4
 | 974 |  |  | 1-oleoylglycerol (1-monoolein) | GC/MS | 21184 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB11567 |  | 3.95 | 1.48 | 1.38 | 1.26 | 0.37 | 0.35 | 0.32 | 0.93 | 0.85 | 0.92 |  | 0.026422434131447 | 0.013177978513606 | 0.043994457700535 | 0.020971276438135 | 0.056402292525182 | 0.027527668745565 | 0.148521514307787 | 0.060216785526055 | 0.179539874788864 | 0.228763296390009 | 0.136268358169488 | 0.112052191654311 | 0.090255895156679 | 0.093835876099948 | 0.728548234226126 | 0.784361225381772 | 0.36731377132694 | 0.756659457016192 | 0.51003221726106 | 0.692917617711064 |  | 0.7276452 | 2.876583 | 1.077215 | 1.004058 | 0.919391 |  | 75 | 100 | 100 | 100 | 100 |  | Lipid | Monoacylglycerol | 111-03-5; | 2181.2 | 397.4
 | 989 |  | Diacylglycerol | 1,2-dipalmitoylglycerol | GC/MS | 11953 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB07098 |  | 0.55 | 0.9 | 0.73 | 0.65 | 1.63 | 1.32 | 1.17 | 0.81 | 0.72 | 0.89 |  | 0.005807508371485 | 0.003989362878299 | 0.301974896332499 | 0.097474825741436 | 0.092620354296156 | 0.040499487481875 | 0.035996677010935 | 0.018791274223725 | 0.022155472936193 | 0.054833423792773 | 0.4328675033152 | 0.241701268898269 | 0.734900469741539 | 0.380327181319391 | 0.240952094438073 | 0.527857164488126 | 0.101323325136014 | 0.52310575172737 | 0.680204316107703 | 0.729165073473675 |  | 1.184022 | 0.6551006 | 1.069069 | 0.8653007 | 0.7658408 |  | 100 | 100 | 100 | 75 | 75 |  | Lipid | Diacylglycerol | 40290-32-2; | 2595 | 145
 | 990 |  |  | 1,3-dipalmitoylglycerol | GC/MS | 35728 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.76 | 1.06 | 1.07 | 0.98 | 1.39 | 1.41 | 1.29 | 1.02 | 0.93 | 0.91 |  | 0.765598646059719 | 0.199622033009501 | 0.619037684320496 | 0.167690259661595 | 0.418820721037757 | 0.138646983525788 | 0.629898977441252 | 0.185266305892131 | 0.303236137953813 | 0.321280285540808 | 0.130301401191637 | 0.108599194474041 | 0.293056232404192 | 0.201918269354234 | 0.658047988334848 | 0.770693685851098 | 0.96013763442529 | 0.941853848113005 | 0.575262477844163 | 0.700403608036641 |  | 1.016513 | 0.7697439 | 1.072834 | 1.088993 | 0.9955589 |  | 87.5 | 87.5 | 100 | 100 | 100 |  | Lipid | Diacylglycerol | 26657-95-4 ; | 2637 | 371.3
 | 993 |  | Sphingolipid | sphinganine | LC/MS pos | 17769 | C00836 | HMDB00269 |  | 3.47 | 1.97 | 1.96 | 1.92 | 0.57 | 0.56 | 0.55 | 0.99 | 0.98 | 0.98 |  | 0.00526517775104 | 0.003702180805801 | 0.058538877085573 | 0.02666411817907 | 0.028624136288308 | 0.016740532604363 | 0.119478142295351 | 0.049971133450692 | 0.183071309847854 | 0.230443348466098 | 0.194275547185928 | 0.144585287115258 | 0.155533485160222 | 0.13415334104715 | 0.871794326577262 | 0.808313547401108 | 0.832897183789051 | 0.929991155492442 | 0.70952329925174 | 0.729165073473675 |  | 0.4886572 | 1.694791 | 0.9625848 | 0.9566623 | 0.9398134 |  | 50 | 100 | 100 | 100 | 75 |  | Lipid | Sphingolipid | 3102-56-5; | 5175 | 302.3
 | 995 |  |  | sphingosine | LC/MS pos | 17747 | C00319 | HMDB00252 |  | 5.65 | 2.48 | 2.17 | 2.19 | 0.44 | 0.38 | 0.39 | 0.88 | 0.88 | 1.01 |  | 0.011223547421736 | 0.006671347097136 | 0.019790890100689 | 0.011480903550711 | 0.032073918122276 | 0.018007778051391 | 0.138711138551411 | 0.056804866337655 | 0.319752075536265 | 0.332159887154486 | 0.23334900870957 | 0.160527643786649 | 0.163950399687372 | 0.138339037992486 | 0.6979874548941 | 0.77698170154729 | 0.428981232222443 | 0.779495724687071 | 0.593231270434314 | 0.702558323479561 |  | 0.514452 | 2.906026 | 1.276932 | 1.117882 | 1.127831 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Sphingolipid | 123-78-4; | 5197 | 300.2
 | 1004 |  |  | palmitoyl sphingomyelin | GC/MS | 37506 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 3.16 | 2.19 | 1.78 | 2.02 | 0.69 | 0.56 | 0.64 | 0.81 | 0.92 | 1.13 |  | < 0.001 | 1.9373904e-08 | < 0.001 | 1.723805254e-06 | < 0.001 | 7.7858587159e-05 | < 0.001 | 0.000774648162274 | < 0.001 | 0.001040286698455 | < 0.001 | 5.6591284346e-05 | 0.003842796494576 | 0.009131931891876 | 0.027247266122139 | 0.225138095861882 | 0.350094238548781 | 0.754983710123564 | 0.54385499048152 | 0.698535954001081 |  | 0.5319011 | 1.67854 | 1.165947 | 0.9444722 | 1.071833 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Sphingolipid |  | 2524 | 311.3
 | 1019 |  | Sterol/Steroid | squalene | GC/MS | 1518 | C00751 | HMDB00256 |  | 2.05 | 1.06 | 0.99 | 0.98 | 0.52 | 0.48 | 0.48 | 0.93 | 0.92 | 0.99 |  | < 0.001 | 3.1510246602e-05 | 0.555913105515369 | 0.153593604757722 | 0.959017950062437 | 0.261885672183649 | 0.908413383398961 | 0.244086765927949 | < 0.001 | 0.000185083774023 | < 0.001 | 2.148135658e-05 | < 0.001 | 2.361682245e-05 | 0.468443026486503 | 0.681652329955189 | 0.382145845142051 | 0.756659457016192 | 0.943446561881717 | 0.80315509384266 |  | 0.9374679 | 1.917764 | 0.996553 | 0.925898 | 0.9144983 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Sterol/Steroid | 111-02-4; | 2205 | 69
 | 1020 |  |  | cholesterol | GC/MS | 63 | C00187 | HMDB00067 |  | 1.31 | 1.3 | 1.22 | 1.23 | 0.99 | 0.93 | 0.93 | 0.94 | 0.94 | 1.01 |  | < 0.001 | 0.000364404956716 | < 0.001 | 0.000149706760002 | < 0.001 | 8.303551434e-05 | 0.006224201905328 | 0.004729221536331 | 0.923308396208497 | 0.602812104178917 | 0.188189280539017 | 0.142500170306626 | 0.314549854248145 | 0.213568266134752 | 0.155503152362106 | 0.436336309713538 | 0.320031189361683 | 0.747154107377373 | 0.960715426234403 | 0.80315509384266 |  | 0.8274693 | 1.08677 | 1.077951 | 1.008744 | 1.014019 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Sterol/Steroid | 57-88-5; | 2316.9 | 329.3
 | 1022 |  |  | dihydrocholesterol | GC/MS | 21131 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | HMDB00908 |  | 1.61 | 2.27 | 1.65 | 1.91 | 1.41 | 1.03 | 1.19 | 0.73 | 0.84 | 1.15 |  | 0.003187239055325 | 0.002543633259056 | < 0.001 | 9.5295407828e-05 | 0.007692870031973 | 0.006100469366334 | < 0.001 | 0.000408361746166 | 0.003357897672606 | 0.013996781204691 | 0.956654030212208 | 0.397987732797755 | 0.172247390309569 | 0.143777126957023 | 0.020200972149155 | 0.193470976947553 | 0.063836233265564 | 0.476670716662853 | 0.278340187338264 | 0.641760721737393 |  | 0.5526126 | 0.8886567 | 1.252986 | 0.9119979 | 1.053199 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Sterol/Steroid | 80-97-7; | 2320.8 | 215.2
 | 1023 |  |  | 7-alpha-hydroxycholesterol | GC/MS | 35692 | C03594 | HMDB01496 |  | 0.25 | 1.26 | 1.37 | 1.77 | 5.06 | 5.5 | 7.13 | 1.09 | 1.41 | 1.3 |  | < 0.001 | 0.000167472564298 | 0.385601630837598 | 0.117382701186892 | 0.063360902250661 | 0.029978834979394 | < 0.001 | 0.000807316709067 | < 0.001 | 0.000372937000434 | < 0.001 | 0.000115882775326 | < 0.001 | 6.7029053103e-05 | 0.497441999686783 | 0.691824683867181 | 0.040203225879696 | 0.46182390860505 | 0.060788952663009 | 0.601914579254405 |  | 0.8660598 | 0.2150615 | 1.087138 | 1.183078 | 1.534224 |  | 100 | 62.5 | 100 | 100 | 100 |  | Lipid | Sterol/Steroid | 566-27-8; | 2300 | 456.2
 | 1024 |  |  | 7-beta-hydroxycholesterol | GC/MS | 35092 | C03594 | HMDB06119 |  | 0.58 | 1.93 | 1.62 | 2.05 | 3.31 | 2.77 | 3.51 | 0.84 | 1.06 | 1.26 |  | 0.019339370397649 | 0.00979725229203 | 0.009360391447277 | 0.006222557021026 | 0.005651157553546 | 0.004957532324714 | < 0.001 | 0.000310772670013 | < 0.001 | 0.001774827214337 | < 0.001 | 0.001366961235999 | < 0.001 | 0.000483601849116 | 0.53554763819546 | 0.714566027037165 | 0.500423413131705 | 0.809931988517749 | 0.059191644758167 | 0.601914579254405 |  | 0.7241772 | 0.4231224 | 1.398588 | 1.173583 | 1.483662 |  | 100 | 100 | 100 | 100 | 100 |  | Lipid | Sterol/Steroid | 566-27-8; | 2340 | 456.4
 | 1052 |  |  | corticosterone | LC/MS pos | 5983 | C02140 | HMDB01547 |  | 0.64 | 0.8 | 1.2 | 0.85 | 1.24 | 1.87 | 1.32 | 1.51 | 1.07 | 0.7 |  | 0.041993263635727 | 0.019793047121367 | 0.231944285155095 | 0.079457670809841 | 0.73733596986564 | 0.214018358797036 | 0.351428236235527 | 0.121988508833977 | 0.505650869891485 | 0.42690999334311 | 0.058119388285857 | 0.063107201043085 | 0.312577091281436 | 0.212849381734882 | 0.207733358873677 | 0.489045698832635 | 0.76626233585915 | 0.901950366284153 | 0.29882561796148 | 0.641760721737393 |  | 1.131085 | 0.7281864 | 0.8998562 | 1.362182 | 0.9595262 |  | 100 | 87.5 | 62.5 | 87.5 | 75 |  | Lipid | Sterol/Steroid | 50-22-6; | 4856 | 347.2
 | 1059 |  |  | campesterol | GC/MS | 33997 | C01789 | HMDB02869 |  | 0.39 | 0.39 | 0.39 | 0.39 | 1 | 1 | 1 | 1 | 1 | 1 |  | 0.018296474332179 | 0.00940746719677 | 0.018296474332179 | 0.010818092188867 | 0.018296474332179 | 0.011620458359746 | 0.018296474332179 | 0.010819983752536 |  |  |  |  |  |  |  |  |  |  |  |  |  | 1.386937 | 0.5417562 | 0.5417562 | 0.5417562 | 0.5417562 |  | 100 | 0 | 0 | 0 | 0 |  | Lipid | Sterol/Steroid | 474-62-4; | 2353 | 129
 | 1095 | Nucleotide | Purine metabolism, (hypo)xanthine/inosine containing | xanthine | LC/MS pos | 3147 | C00385 | HMDB00292 |  | 0.97 | 1.01 | 1.03 | 1.01 | 1.04 | 1.07 | 1.05 | 1.02 | 1 | 0.98 |  | 0.457496209620163 | 0.132288827253403 | 0.65741018021216 | 0.175001210085023 | 0.392990195451582 | 0.131648469421731 | 0.719896100893908 | 0.204268441162329 | 0.17170200512584 | 0.223842940314482 | 0.106244745931549 | 0.094767790826917 | 0.254719617749303 | 0.187722645228447 | 0.530023410832937 | 0.714566027037165 | 0.983429891694602 | 0.941853848113005 | 0.594304126161414 | 0.702558323479561 |  | 0.9977254 | 0.967585 | 1.010589 | 1.031953 | 1.011581 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, (hypo)xanthine/inosine containing | 69-89-6; | 1430 | 153.1
 | 1096 |  |  | xanthosine | LC/MS pos | 15136 | C01762 | HMDB00299 |  | 0.36 | 0.38 | 0.42 | 0.38 | 1.05 | 1.17 | 1.07 | 1.11 | 1.01 | 0.91 |  | < 0.001 | 1.7884127958e-05 | < 0.001 | 3.6714429678e-05 | < 0.001 | 8.2405557579e-05 | < 0.001 | 3.6116834381e-05 | 0.466007143993777 | 0.406789940830427 | 0.194826027291966 | 0.144585287115258 | 0.496806095999288 | 0.301298552597525 | 0.412515104804057 | 0.649357456979554 | 0.954247249193702 | 0.941853848113005 | 0.475600907855219 | 0.675652003511518 |  | 2.593156 | 0.9313763 | 0.9823436 | 1.089977 | 0.9944928 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, (hypo)xanthine/inosine containing | 146-80-5; | 1785 | 285
 | 1098 |  |  | hypoxanthine | LC/MS neg | 3127 | C00262 | HMDB00157 |  | 0.66 | 0.86 | 0.86 | 0.8 | 1.31 | 1.31 | 1.22 | 1 | 0.94 | 0.93 |  | < 0.001 | 0.000897122944895 | 0.14759673208955 | 0.056197995075998 | 0.12618601235032 | 0.052093126197993 | 0.073196416409882 | 0.034050302955293 | 0.023680635679333 | 0.056780504406603 | 0.008341815092797 | 0.015137977906765 | 0.154960718562804 | 0.13415334104715 | 0.876983117829444 | 0.808646095851868 | 0.532573214969649 | 0.826461833677179 | 0.419461551492512 | 0.672835478991419 |  | 1.21042 | 0.7932609 | 1.036081 | 1.041145 | 0.9688951 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, (hypo)xanthine/inosine containing | 68-94-0; | 1313 | 135.1
 | 1099 |  |  | inosine | LC/MS neg | 1123 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.34 | 0.52 | 0.59 | 0.58 | 1.54 | 1.74 | 1.72 | 1.13 | 1.11 | 0.99 |  | < 0.001 | 0.000124000345125 | 0.001172660546178 | 0.001218422627441 | 0.007649221885702 | 0.006100321345746 | 0.005656463506935 | 0.004455569745019 | 0.027531184565523 | 0.061645306120041 | 0.012110100517461 | 0.02039402898957 | 0.011238620980404 | 0.021485630033487 | 0.512132242340222 | 0.70069276525279 | 0.515092299320087 | 0.821515998572421 | 0.975319635726833 | 0.80315509384266 |  | 1.746446 | 0.58833 | 0.9062118 | 1.024339 | 1.009105 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, (hypo)xanthine/inosine containing | 58-63-9; | 1630 | 267.2
 | 1100 |  |  | 2'-deoxyinosine | LC/MS pos | 15076 | C05512 | HMDB00071 |  | 1.14 | 1.05 | 1.18 | 1.1 | 0.92 | 1.03 | 0.96 | 1.13 | 1.05 | 0.93 |  | 0.296704712799178 | 0.093575026478599 | 0.68485071501284 | 0.181129656252926 | 0.228151485705356 | 0.085169398093738 | 0.552714241721633 | 0.168273716097635 | 0.445841366101593 | 0.395627483239705 | 0.771406623005756 | 0.351445020636194 | 0.63964798995315 | 0.358052647799538 | 0.331304999222376 | 0.590171585251138 | 0.815791347138358 | 0.920759126473464 | 0.496870920224556 | 0.686979568950524 |  | 0.9391304 | 1.072373 | 0.985435 | 1.108894 | 1.030865 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, (hypo)xanthine/inosine containing | 890-38-0; | 1750 | 252.9
 | 1105 |  | Purine metabolism, adenine containing | adenine | GC/MS | 554 | [NAME] | HMDB00034 |  | 2.28 | 1.7 | 1.69 | 1.36 | 0.74 | 0.74 | 0.6 | 0.99 | 0.8 | 0.81 |  | < 0.001 | 7.6642756807e-05 | < 0.001 | 0.000133514604131 | 0.001230257001656 | 0.001584227213303 | 0.015387005179604 | 0.00947937310073 | 0.048950898535396 | 0.088109413200355 | 0.055799673923199 | 0.062003164186993 | 0.002603134725219 | 0.006888986394484 | 0.82627941295358 | 0.799475044382777 | 0.061180087589074 | 0.470637999673923 | 0.154245723660186 | 0.601914579254405 |  | 0.699628 | 1.597453 | 1.189107 | 1.178947 | 0.9540274 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, adenine containing | 73-24-5; | 1804.2 | 264
 | 1106 |  |  | adenosine | LC/MS pos | 555 | C00212 | HMDB00050 |  | 0.55 | 0.69 | 0.65 | 0.67 | 1.27 | 1.19 | 1.23 | 0.94 | 0.97 | 1.03 |  | < 0.001 | 0.000545140449014 | 0.007043191301167 | 0.004893761730456 | 0.002446767252636 | 0.002662263700911 | 0.001801588964591 | 0.001821045186201 | 0.083344854991475 | 0.129426419405076 | 0.178603425106689 | 0.137736306042852 | 0.08161915977185 | 0.08840870177668 | 0.61076452826878 | 0.760455045332881 | 0.847153860938967 | 0.937002631069489 | 0.690961011117111 | 0.729165073473675 |  | 1.456938 | 0.7953575 | 1.011079 | 0.9498317 | 0.9774594 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, adenine containing | 58-61-7; | 1650 | 268.1
 | 1108 |  |  | N1-methyladenosine | LC/MS pos | 15650 | C02494 | HMDB03331 |  | 1.62 | 1.57 | 1.83 | 1.58 | 0.97 | 1.13 | 0.97 | 1.17 | 1.01 | 0.86 |  | 0.003202387134418 | 0.002543633259056 | 0.044374937689858 | 0.021070973186395 | < 0.001 | 0.000931943121191 | 0.008272589133011 | 0.0058320094201 | 0.644857462627013 | 0.492254780014331 | 0.208508750913447 | 0.148787884192433 | 0.737724480814369 | 0.380942131186979 | 0.241756131853511 | 0.527857164488126 | 0.830828301526779 | 0.929853651067369 | 0.170117199844125 | 0.601914579254405 |  | 0.6500443 | 1.05111 | 1.01769 | 1.190091 | 1.024376 |  | 100 | 100 | 87.5 | 100 | 100 |  | Nucleotide | Purine metabolism, adenine containing | 15763-06-1; | 1356 | 282.1
 | 1112 |  |  | adenosine 2'-monophosphate (2'-AMP) | LC/MS pos | 36815 | C00946 | [NAME] |  | 0.93 | 0.95 | 1.04 | 0.9 | 1.02 | 1.11 | 0.97 | 1.09 | 0.95 | 0.87 |  | 0.586441871386252 | 0.164295640261187 | 0.715140844699174 | 0.185169842353492 | 0.71902293886152 | 0.210695545620324 | 0.4093288782351 | 0.134361404102708 | 0.79482055547928 | 0.557063834233612 | 0.313358855568634 | 0.195445759699236 | 0.770026747798961 | 0.389842634316659 | 0.39370438302237 | 0.639722916435706 | 0.523429895824214 | 0.821515998572421 | 0.169022696364627 | 0.601914579254405 |  | 1.036568 | 0.9647099 | 0.9821975 | 1.074465 | 0.9336051 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, adenine containing | 130-49-4; | 1625 | 348.1
 | 1113 |  |  | adenosine 3'-monophosphate (3'-AMP) | LC/MS pos | 35142 | C01367 | [NAME] |  | 0.89 | 1.2 | 1.19 | 1.08 | 1.35 | 1.35 | 1.22 | 1 | 0.9 | 0.91 |  | 0.126980404200802 | 0.048195928986058 | 0.013619700909155 | 0.008292067015388 | 0.012852605886202 | 0.00906538464185 | 0.157228568961524 | 0.063060233456082 | 0.001671564286923 | 0.008226921226282 | 0.001667666753078 | 0.004142727480065 | 0.013346689740951 | 0.023547292973621 | 0.954704213609341 | 0.824242568548748 | 0.098410560883544 | 0.52310575172737 | 0.095915721318556 | 0.601914579254405 |  | 0.9338981 | 0.8277472 | 1.118359 | 1.113919 | 1.010486 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, adenine containing | 84-21-9; | 1451 | 348.1
 | 1114 |  |  | adenosine 5'-monophosphate (AMP) | LC/MS pos | 32342 | C00020 | HMDB00045 |  | 0.68 | 0.75 | 0.73 | 0.67 | 1.11 | 1.08 | 0.99 | 0.97 | 0.89 | 0.91 |  | 0.011030676975846 | 0.006601754711398 | 0.050040048944064 | 0.023135702519549 | 0.039451778190724 | 0.021463225997574 | 0.013406462114653 | 0.008635512103086 | 0.394382466557175 | 0.370026261771514 | 0.633425215334751 | 0.312677213301345 | 0.861838351318561 | 0.416214627572634 | 0.754732735702198 | 0.786583014371277 | 0.34947074573025 | 0.754983710123564 | 0.549952666066945 | 0.698535954001081 |  | 1.484786 | 1.003325 | 1.115582 | 1.082299 | 0.9885181 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, adenine containing | 149022-20-8; | 1210 | 348.1
 | 1118 |  |  | adenosine 3',5'-diphosphate | LC/MS neg | 15691 | C00054 | HMDB00061 |  | 0.84 | 1.03 | 1.17 | 1.11 | 1.23 | 1.39 | 1.32 | 1.13 | 1.07 | 0.95 |  | 0.994199055552624 | 0.244615969656222 | 0.805443042829839 | 0.200113430903484 | 0.576741165689988 | 0.179495072467511 | 0.433577255964939 | 0.141187319693648 | 0.752143657369689 | 0.533271375473622 | 0.48528392456774 | 0.259277589697515 | 0.282825962203346 | 0.198391263437143 | 0.736188423227032 | 0.784361225381772 | 0.577698492827435 | 0.854731886209529 | 0.869320952158354 | 0.787738801875008 |  | 0.8402143 | 0.7044224 | 0.868309 | 0.9802348 | 0.9302079 |  | 75 | 87.5 | 75 | 75 | 87.5 |  | Nucleotide | Purine metabolism, adenine containing | 75431-54-8; | 602 | 426
 | 1128 |  | Purine metabolism, guanine containing | guanosine | LC/MS pos | 1573 | C00387 | HMDB00133 |  | 2.12 | 2.22 | 2.14 | 2.4 | 1.05 | 1.01 | 1.13 | 0.97 | 1.08 | 1.12 |  | 0.005112469694528 | 0.003634526576861 | 0.083034619135869 | 0.034972199632848 | 0.026294173899045 | 0.015572534675223 | 0.035499197334197 | 0.018784697618981 | 0.704220348411162 | 0.511987756886049 | 0.798005893215489 | 0.357125370419707 | 0.950316858133657 | 0.440865454892441 | 0.877265283475618 | 0.808646095851868 | 0.784581551147604 | 0.91673956977008 | 0.882637781251455 | 0.790619240461757 |  | 0.6183802 | 1.308379 | 1.369821 | 1.325008 | 1.482872 |  | 75 | 100 | 75 | 100 | 100 |  | Nucleotide | Purine metabolism, guanine containing | 118-00-3; | 1676 | 284
 | 1129 |  |  | 2'-deoxyguanosine | LC/MS pos | 1411 | C00330 | HMDB00085 |  | 1.49 | 1.43 | 1.3 | 1.14 | 0.96 | 0.88 | 0.77 | 0.91 | 0.8 | 0.88 |  | 0.014369354789739 | 0.00790163724222 | 0.084414116093877 | 0.035403771645821 | 0.099511993185923 | 0.042977404686837 | 0.445495130729411 | 0.144455653733655 | 0.643879987605548 | 0.492254780014331 | 0.30356149240385 | 0.191896804639882 | 0.080166792127374 | 0.088064322500854 | 0.717346153546426 | 0.779547983362194 | 0.283144355576082 | 0.747154107377373 | 0.383020445089304 | 0.648124983010399 |  | 0.7991502 | 1.186972 | 1.140199 | 1.040038 | 0.9121225 |  | 87.5 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, guanine containing | 961-07-9; | 1728 | 268
 | 1149 |  | Purine metabolism, urate metabolism | urate | GC/MS | 1604 | C00366 | HMDB00289 |  | 0.88 | 0.47 | 0.58 | 0.42 | 0.54 | 0.66 | 0.48 | 1.23 | 0.89 | 0.73 |  | 0.466037047055106 | 0.134155535080687 | 0.012176976673634 | 0.00771941423549 | 0.048697383066346 | 0.024855416864347 | 0.002157500463749 | 0.001993736106099 | 0.075558285298566 | 0.120513750038095 | 0.191529828060705 | 0.14348133084364 | 0.050446036527943 | 0.061832214752118 | 0.697013792189587 | 0.77698170154729 | 0.836568266811342 | 0.931912824121831 | 0.779133522348811 | 0.759367957560849 |  | 1.483916 | 1.309163 | 0.7005596 | 0.8597816 | 0.6246589 |  | 100 | 87.5 | 62.5 | 50 | 87.5 |  | Nucleotide | Purine metabolism, urate metabolism | 69-93-2;120K5305; | 1928 | 441.2
 | 1150 |  |  | allantoin | GC/MS | 1107 | C02350 | HMDB00462 |  | 0.97 | 0.91 | 0.91 | 0.9 | 0.94 | 0.94 | 0.93 | 1 | 0.99 | 0.99 |  | 0.842141893148898 | 0.214580163225746 | 0.46632204441466 | 0.133682714765305 | 0.447865165713207 | 0.145853930329699 | 0.409668052265331 | 0.134361404102708 | 0.548149174651279 | 0.446399266021216 | 0.525144248569204 | 0.27362926613357 | 0.476389961338014 | 0.292437692566029 | 0.967514113012468 | 0.824242568548748 | 0.991590406546438 | 0.941853848113005 | 0.970381615059707 | 0.80315509384266 |  | 1.099518 | 1.065484 | 0.9997188 | 0.9980143 | 0.9898075 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Purine metabolism, urate metabolism | 97-59-6; | 1809.8 | 518.3
 | 1153 |  | Pyrimidine metabolism, cytidine containing | cytidine | LC/MS pos | 514 | C00475 | HMDB00089 |  | 0.61 | 0.66 | 0.6 | 0.65 | 1.09 | 1 | 1.08 | 0.92 | 0.99 | 1.08 |  | < 0.001 | 1.612042867e-05 | < 0.001 | 2.1633553652e-05 | < 0.001 | 8.164010396e-05 | < 0.001 | 2.3974765548e-05 | 0.177352695383444 | 0.228389952799463 | 0.940711838638995 | 0.394473823689176 | 0.198763323134739 | 0.157982863880268 | 0.209753557896184 | 0.490692189995479 | 0.841645955927142 | 0.935388829217256 | 0.235781871640139 | 0.601914579254405 |  | 1.506429 | 0.9126808 | 0.9943975 | 0.9108498 | 0.9837266 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Pyrimidine metabolism, cytidine containing | 65-46-3; | 1065 | 244
 | 1157 |  |  | cytidine 5'-monophosphate (5'-CMP) | LC/MS pos | 2372 | C00055 | HMDB00095 |  | 1.17 | 1.56 | 1.46 | 1.39 | 1.33 | 1.24 | 1.19 | 0.93 | 0.89 | 0.96 |  | 0.156524340145357 | 0.056575390568901 | 0.003370632058701 | 0.002858840639788 | 0.017402060910004 | 0.011166507790021 | 0.027636052022997 | 0.015302329168891 | 0.015194404167969 | 0.042597051555115 | 0.112092422627814 | 0.096705622891777 | 0.184766355903792 | 0.148428625690823 | 0.532107173364357 | 0.714566027037165 | 0.329752775706492 | 0.747154107377373 | 0.758658892355914 | 0.757986413434776 |  | 0.756533 | 0.8858665 | 1.180298 | 1.101281 | 1.053555 |  | 87.5 | 100 | 100 | 100 | 100 |  | Nucleotide | Pyrimidine metabolism, cytidine containing | 63-37-6; | 887 | 324
 | 1162 |  |  | 2'-deoxycytidine | LC/MS pos | 15949 | C00881 | HMDB00014 |  | 1.1 | 1.11 | 0.86 | 0.89 | 1.01 | 0.78 | 0.81 | 0.77 | 0.8 | 1.04 |  | 0.738914552980238 | 0.196041564018016 | 0.784284701397426 | 0.197651686247881 | 0.240907890858472 | 0.089219531250698 | 0.398256986154871 | 0.132204025239752 | 0.973387475527301 | 0.611436707230751 | 0.203846693705254 | 0.146454037449239 | 0.330903697732204 | 0.22336950345821 | 0.227651560740154 | 0.510280549006256 | 0.37095640544496 | 0.756659457016192 | 0.614044169452461 | 0.710277323222947 |  | 0.976633 | 1.078967 | 1.084673 | 0.8405436 | 0.8719612 |  | 100 | 87.5 | 87.5 | 87.5 | 100 |  | Nucleotide | Pyrimidine metabolism, cytidine containing | 951-77-9; | 1256 | 228
 | 1163 |  |  | 2'-deoxycytidine 5'-monophosphate | LC/MS pos | 533 | C00239 | HMDB01202 |  | 0.83 | 0.93 | 0.92 | 0.83 | 1.12 | 1.11 | 1 | 0.99 | 0.9 | 0.91 |  | 0.179186137543597 | 0.063059008158935 | 0.481432075907558 | 0.137373939997342 | 0.421107976544967 | 0.139076149925313 | 0.112965409471732 | 0.047832320466877 | 0.297319722205387 | 0.319283158490909 | 0.419364016460679 | 0.236873725225496 | 0.780952823285084 | 0.392812375635515 | 0.773187982140378 | 0.78879969702104 | 0.234369625855488 | 0.695675396726945 | 0.448028665769198 | 0.675652003511518 |  | 1.067509 | 0.8854198 | 0.9922833 | 0.9806347 | 0.8896321 |  | 100 | 87.5 | 100 | 100 | 100 |  | Nucleotide | Pyrimidine metabolism, cytidine containing | 1032-65-1; | 1132 | 307.9
 | 1173 |  | Pyrimidine metabolism, thymine containing | thymidine | LC/MS neg | 39539 | C00214 | HMDB00273 |  | 1.23 | 0.82 | 0.66 | 0.57 | 0.67 | 0.54 | 0.46 | 0.81 | 0.69 | 0.85 |  | 0.190554097560786 | 0.065912992483937 | 0.218211215126963 | 0.076239669774107 | 0.016875847316868 | 0.011017301875057 | 0.001193783099357 | 0.001316686044757 | 0.014928190372024 | 0.042224396472322 | 0.001086649941564 | 0.002970737190664 | < 0.001 | 0.00042471651914 | 0.113972085916654 | 0.405944588217451 | 0.004983204352521 | 0.30418057466477 | 0.262927783050989 | 0.635103123435954 |  | 1.311085 | 1.616124 | 1.078448 | 0.8703768 | 0.7410242 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Pyrimidine metabolism, thymine containing | 50-89-5; | 1935 | 284.8
 | 1177 |  | Pyrimidine metabolism, thymine containing; [NAME], leucine and isoleucine metabolism/ | 3-aminoisobutyrate | GC/MS | 1566 | C05145 | HMDB03911 |  | 0.61 | 0.56 | 0.75 | 0.55 | 0.92 | 1.24 | 0.9 | 1.34 | 0.98 | 0.73 |  | 0.001728917620161 | 0.001493082169597 | < 0.001 | 0.000133514604131 | 0.011980129029587 | 0.008712690929006 | < 0.001 | 5.761483195e-05 | 0.692576171135282 | 0.510238703241031 | 0.081767836722355 | 0.080432956425181 | 0.590498674150669 | 0.340391663520687 | 0.008679428332341 | 0.117411207405912 | 0.879890268947278 | 0.937861296555617 | 0.00204836609276 | 0.243370121051353 |  | 1.53612 | 0.9305429 | 0.8592255 | 1.155098 | 0.8399006 |  | 100 | 87.5 | 87.5 | 100 | 100 |  | Nucleotide | Pyrimidine metabolism, thymine containing; [NAME], leucine and isoleucine metabolism/ | 10569-72-9; | 1252.2 | 101.9
 | 1178 |  | Pyrimidine metabolism, uracil containing | uracil | GC/MS | 605 | C00106 | HMDB00300 |  | 0.98 | 1.13 | 1.12 | 1.2 | 1.16 | 1.14 | 1.23 | 0.98 | 1.06 | 1.08 |  | 0.750882348170591 | 0.197992049005091 | 0.163962307907412 | 0.060554495681774 | 0.347593651746497 | 0.120466123316304 | 0.074149343830394 | 0.03421873058687 | 0.159213552401072 | 0.209825481756624 | 0.286462857478748 | 0.18611809851352 | 0.079404085642872 | 0.087639874584231 | 0.7988610924467 | 0.799404399085483 | 0.581610637376341 | 0.855078147985497 | 0.473409940736848 | 0.675652003511518 |  | 0.916082 | 0.8973104 | 1.038987 | 1.02172 | 1.10099 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Pyrimidine metabolism, uracil containing | 66-22-8; | 1370.4 | 241
 | 1180 |  |  | uridine | LC/MS neg | 606 | C00299 | HMDB00296 |  | 0.71 | 0.7 | 0.79 | 0.66 | 0.99 | 1.11 | 0.93 | 1.12 | 0.94 | 0.84 |  | < 0.001 | 0.000158154130886 | < 0.001 | 0.000152219263059 | 0.001532714614085 | 0.001838753694405 | < 0.001 | 0.000195467017835 | 0.862367767396105 | 0.582497386996787 | 0.17724103271057 | 0.137698797518547 | 0.336409324210994 | 0.226429641716377 | 0.131924773829598 | 0.427640902347685 | 0.416425982205411 | 0.779495724687071 | 0.039435003787069 | 0.534064839509611 |  | 1.323458 | 0.9399009 | 0.92752 | 1.041003 | 0.8704591 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Pyrimidine metabolism, uracil containing | 58-96-8; | 1467 | 243.1
 | 1181 |  |  | pseudouridine | LC/MS pos | 33442 | C02067 | HMDB00767 |  | 1.01 | 1.33 | 1.19 | 1.16 | 1.32 | 1.18 | 1.15 | 0.89 | 0.87 | 0.98 |  | 0.978625283162641 | 0.242163544817765 | 0.036235521961963 | 0.018041978901363 | 0.242393721318319 | 0.089533567879504 | 0.361565860582053 | 0.124384796990814 | 0.04589398416304 | 0.085940568597529 | 0.261511961507659 | 0.174761716548836 | 0.376231605332822 | 0.244744872873098 | 0.400420483415008 | 0.641206852262931 | 0.327479911357495 | 0.747154107377373 | 0.858874973931516 | 0.786494448759029 |  | 0.9595919 | 0.9669309 | 1.275431 | 1.138377 | 1.115645 |  | 100 | 100 | 100 | 100 | 100 |  | Nucleotide | Pyrimidine metabolism, uracil containing | 1445-07-4; | 1180 | 245
 | 1196 | Cofactors and vitamins | Ascorbate and aldarate metabolism | gulono-1,4-lactone | GC/MS | 33454 | C01040 | HMDB03466 |  | 0.55 | 0.7 | 0.87 | 0.78 | 1.27 | 1.56 | 1.41 | 1.23 | 1.11 | 0.9 |  | < 0.001 | 2.2239920733e-05 | < 0.001 | 0.001085158753518 | 0.105461025008832 | 0.044992923361959 | 0.009084524793747 | 0.006275025801101 | 0.023929761413915 | 0.056780504406603 | < 0.001 | 0.001471965759691 | 0.002227946806243 | 0.006104178788612 | 0.056568358234048 | 0.326547937956604 | 0.270251912385433 | 0.738009446507402 | 0.329974616819781 | 0.641760721737393 |  | 1.337832 | 0.7415436 | 0.9420372 | 1.159295 | 1.046583 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | Ascorbate and aldarate metabolism | 1128-23-0; | 1862 | 333.1
 | 1197 |  |  | ascorbate ([NAME]) | GC/MS | 1640 | C00072 | HMDB00044 |  | 5.06 | 2.64 | 1.73 | 1.43 | 0.52 | 0.34 | 0.28 | 0.66 | 0.54 | 0.83 |  | < 0.001 | 1.5784108888e-05 | 0.024345945468387 | 0.013248441977683 | 0.309014027966166 | 0.110365609595702 | 0.83326222695801 | 0.227924065200429 | 0.018634364060919 | 0.04799364925489 | 0.003247097627867 | 0.006767671499007 | 0.002324349630956 | 0.006294255353839 | 0.276711447418938 | 0.566051749442706 | 0.113601395224555 | 0.528114298266952 | 0.543433364594383 | 0.698535954001081 |  | 0.4890306 | 2.473785 | 1.28949 | 0.8476772 | 0.6998246 |  | 100 | 100 | 100 | 87.5 | 87.5 |  | Cofactors and vitamins | Ascorbate and aldarate metabolism | 134-03-2; | 1850.1 | 332.1
 | 1199 |  |  | threonate | GC/MS | 27738 | C01620 | HMDB00943 |  | 1.12 | 1.75 | 1.5 | 1.74 | 1.56 | 1.34 | 1.55 | 0.86 | 0.99 | 1.15 |  | 0.407327968361877 | 0.120821194221931 | < 0.001 | 0.000475241576219 | 0.014007811744841 | 0.009685507468141 | < 0.001 | 0.000193499042192 | 0.002785478965599 | 0.012255800854977 | 0.068537148646298 | 0.071778647771828 | 0.001258825888995 | 0.003857388908083 | 0.244111806909539 | 0.530253186085396 | 0.966881576504919 | 0.941853848113005 | 0.192225517712618 | 0.601914579254405 |  | 0.7115272 | 0.7965736 | 1.245615 | 1.069809 | 1.235097 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | Ascorbate and aldarate metabolism | 70753-61-6; | 1560.7 | 292.1
 | 1206 |  | Folate metabolism | 5-methyltetrahydrofolate (5MeTHF) | LC/MS neg | 18330 | C00440 | HMDB01396 |  | 2.83 | 1.62 | 1.93 | 0.99 | 0.57 | 0.68 | 0.35 | 1.19 | 0.61 | 0.51 |  | 0.00138965396525 | 0.00125044994177 | 0.104658653052288 | 0.042339737369031 | 0.208347793288924 | 0.07968396985195 | 0.699683296334075 | 0.201883886091954 | 0.017823070939003 | 0.047051730223124 | 0.086306318606412 | 0.08372365042822 | < 0.001 | 0.000904443268892 | 0.966087663300825 | 0.824242568548748 | 0.128466344526709 | 0.54815393685684 | 0.279567018800057 | 0.641760721737393 |  | 0.474537 | 1.343848 | 0.7668216 | 0.9153785 | 0.4680591 |  | 62.5 | 100 | 87.5 | 62.5 | 75 |  | Cofactors and vitamins | Folate metabolism | 68703-91-3;68792-52-9; | 1838 | 458.2
 | 1208 |  |  | biopterin | LC/MS pos | 12358 | C06313 | HMDB00468 |  | 0.44 | 0.55 | 0.58 | 0.66 | 1.26 | 1.34 | 1.51 | 1.06 | 1.2 | 1.13 |  | < 0.001 | 4.5202639e-07 | < 0.001 | 1.3368899766e-05 | < 0.001 | 6.486661627e-05 | < 0.001 | 6.698933626e-05 | 0.017565346023648 | 0.046761028706251 | 0.004828746624098 | 0.009706792193455 | < 0.001 | 0.000309729412968 | 0.500968800764154 | 0.693284564381256 | 0.022937976529007 | 0.422795336908257 | 0.110354211248297 | 0.601914579254405 |  | 1.668608 | 0.7271215 | 0.9151464 | 0.9737203 | 1.098513 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | Folate metabolism | 22150-76-1; | 1555 | 238.1
 | 1209 |  |  | dihydrobiopterin | LC/MS pos | 35129 | C02953,C00268 | HMDB00038 |  | 0.93 | 0.69 | 0.5 | 0.37 | 0.74 | 0.54 | 0.39 | 0.72 | 0.53 | 0.73 |  | 0.82130174128095 | 0.211210445291014 | 0.414525689928401 | 0.123437751292804 | 0.077783631672208 | 0.034881246833466 | 0.014949794278098 | 0.009256836534587 | 0.059443285381813 | 0.099365581409309 | 0.020313153548072 | 0.029902438875318 | 0.001355640001571 | 0.004100105235722 | 0.14466553578191 | 0.430783098893647 | 0.015068529773399 | 0.422795336908257 | 0.481798973748004 | 0.677547441347025 |  | 1.392127 | 1.291738 | 0.9578999 | 0.6935403 | 0.5086266 |  | 87.5 | 100 | 100 | 75 | 87.5 |  | Cofactors and vitamins | Folate metabolism | 6779-87-9; | 1510 | 240.1
 | 1221 |  | Nicotinate and nicotinamide metabolism | nicotinamide | LC/MS pos | 594 | C00153 | HMDB01406 |  | 0.59 | 0.64 | 0.65 | 0.61 | 1.08 | 1.09 | 1.03 | 1.01 | 0.96 | 0.95 |  | < 0.001 | 3.1829512285e-05 | < 0.001 | 2.853425967e-06 | < 0.001 | 6.8715826277e-05 | < 0.001 | 2.3974765548e-05 | 0.242170027168949 | 0.279723033946127 | 0.299342238833884 | 0.190047522759702 | 0.675356583852681 | 0.368338077139219 | 0.96424028800455 | 0.824242568548748 | 0.415983317252991 | 0.779495724687071 | 0.485127584020456 | 0.679899996728107 |  | 1.557581 | 0.92387 | 0.995989 | 1.005891 | 0.9529024 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | Nicotinate and nicotinamide metabolism | 98-92-0; | 1267 | 123.1
 | 1224 |  |  | nicotinamide adenine dinucleotide (NAD+) | LC/MS pos | 5278 | C00003 | HMDB00902 |  | 0.73 | 0.96 | 1.03 | 0.94 | 1.31 | 1.4 | 1.29 | 1.07 | 0.98 | 0.92 |  | 0.053303459443695 | 0.023733032308138 | 0.964031876072888 | 0.227999898101045 | 0.667015012359221 | 0.199623142308076 | 0.796571473473426 | 0.220088850521169 | 0.019193154116314 | 0.049034186447784 | 0.009482896428538 | 0.01691703692815 | 0.038089269155462 | 0.05053434313822 | 0.464372541017916 | 0.681652329955189 | 0.735010107545638 | 0.891514237383316 | 0.357393244883456 | 0.648124983010399 |  | 1.118078 | 0.8207969 | 1.076608 | 1.152703 | 1.055775 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | Nicotinate and nicotinamide metabolism | 53-84-9; | 1370 | 664
 | 1243 |  | Pantothenate and CoA metabolism | pantothenate | LC/MS pos | 1508 | C00864 | HMDB00210 |  | 0.78 | 0.92 | 0.91 | 0.8 | 1.18 | 1.18 | 1.02 | 1 | 0.87 | 0.87 |  | 0.008401744429027 | 0.005405490994703 | 0.106120895558755 | 0.042784812431002 | 0.216658955838198 | 0.081969230465913 | 0.008352095530078 | 0.005857864656774 | 0.044200410212274 | 0.084862664665542 | 0.108806657450788 | 0.095249213587539 | 0.783467970802141 | 0.393228167734233 | 0.830241363784763 | 0.799475044382777 | 0.053284976713908 | 0.470637999673923 | 0.148235974183373 | 0.601914579254405 |  | 1.114497 | 0.8658621 | 1.023953 | 1.019558 | 0.8861172 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | Pantothenate and CoA metabolism | 137-08-6; | 2218 | 220.1
 | 1246 |  |  | 3'-dephosphocoenzyme A | LC/MS pos | 18289 | C00882 | HMDB01373 |  | 0.76 | 0.96 | 0.97 | 0.77 | 1.27 | 1.27 | 1.01 | 1 | 0.8 | 0.8 |  | 0.016810732264897 | 0.008757605046462 | 0.716688782904918 | 0.185169842353492 | 0.711121074391839 | 0.209253770426316 | 0.032055805345906 | 0.017397411784348 | 0.030815963598713 | 0.065961169280574 | 0.051298070991895 | 0.058687891752981 | 0.956658802397331 | 0.442925251473055 | 0.970553598037866 | 0.824242568548748 | 0.056511905807862 | 0.470637999673923 | 0.079429843162612 | 0.601914579254405 |  | 1.142998 | 0.8678057 | 1.099079 | 1.103838 | 0.8802518 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | Pantothenate and CoA metabolism | 3633-59-8; | 2211 | 688
 | 1259 |  | [NAME] metabolism | flavin adenine dinucleotide (FAD) | LC/MS neg | 2134 | C00016 | HMDB01248 |  | 0.77 | 0.98 | 0.97 | 0.96 | 1.28 | 1.27 | 1.25 | 0.99 | 0.98 | 0.99 |  | 0.004203478864199 | 0.003119939826059 | 0.770446295732727 | 0.195768860104966 | 0.648102136418425 | 0.19605304604847 | 0.557856972499635 | 0.168796299857839 | 0.010545437524138 | 0.034440319955944 | 0.01267867164054 | 0.020851105328808 | 0.027043850784471 | 0.039610722161442 | 0.886935820441539 | 0.808646095851868 | 0.764866856376679 | 0.901950366284153 | 0.86208411584879 | 0.786494448759029 |  | 1.069581 | 0.8194816 | 1.051912 | 1.039267 | 1.028362 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | [NAME] metabolism | 146-14-5;84366-81-4; | 2413 | 784.1
 | 1260 |  |  | riboflavin ([NAME]) | LC/MS pos | 1827 | C00255 | HMDB00244 |  | 0.75 | 0.94 | 1.09 | 0.97 | 1.25 | 1.44 | 1.28 | 1.16 | 1.03 | 0.89 |  | 0.018350620630469 | 0.00940746719677 | 0.423967863644489 | 0.125338995665316 | 0.610871928033171 | 0.187786079309581 | 0.613041181516283 | 0.181478911437245 | 0.050423573614 | 0.088705755859339 | 0.019379075442157 | 0.028728305231344 | 0.106543322107727 | 0.106618740262988 | 0.303310841915567 | 0.578555341097162 | 0.988149193417426 | 0.941853848113005 | 0.417190804399718 | 0.671817383639107 |  | 1.04011 | 0.7838211 | 0.9764968 | 1.128918 | 1.00457 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | [NAME] metabolism | 83-88-5; | 3111 | 377.2
 | 1261 |  |  | [NAME] (FMN) | LC/MS neg | 15797 | C00061 | HMDB01520 |  | 0.74 | 0.76 | 0.92 | 0.85 | 1.03 | 1.24 | 1.14 | 1.2 | 1.11 | 0.92 |  | 0.001053154252658 | 0.001011306653604 | 0.003427188280246 | 0.002886899800672 | 0.337882684432607 | 0.11812297751786 | 0.056819102380162 | 0.027654546449484 | 0.730982193299803 | 0.527455650132174 | 0.103341415979103 | 0.093364931795751 | 0.124725201062601 | 0.115723575841861 | 0.163627515736346 | 0.4448574518659 | 0.237532083895523 | 0.696775472130724 | 0.600527374954724 | 0.702558323479561 |  | 1.15158 | 0.8517788 | 0.8768805 | 1.055484 | 0.9749097 |  | 100 | 62.5 | 75 | 87.5 | 87.5 |  | Cofactors and vitamins | [NAME] metabolism | 130-40-5; | 2395 | 455.1
 | 1262 |  | Thiamine metabolism | thiamin (Vitamin B1) | LC/MS pos | 5341 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.59 | 0.64 | 0.7 | 0.63 | 1.08 | 1.18 | 1.07 | 1.1 | 1 | 0.91 |  | < 0.001 | 0.000688236457476 | < 0.001 | 2.662032264e-06 | < 0.001 | 6.2608093317e-05 | < 0.001 | 0.000111538742564 | 0.338586194074169 | 0.34146274701326 | 0.107952524828338 | 0.095249213587539 | 0.453226495107427 | 0.281465633751625 | 0.103485790020403 | 0.389918676517815 | 0.83039590406117 | 0.929853651067369 | 0.191506182281568 | 0.601914579254405 |  | 1.501121 | 0.8870075 | 0.9568594 | 1.047785 | 0.9524792 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | Thiamine metabolism | 59-43-8; | 740 | 265.1
 | 1266 |  | Tocopherol metabolism | alpha-tocopherol | GC/MS | 1561 | C02477 | HMDB01893 |  | 5.28 | 1.41 | 1.83 | 1.14 | 0.27 | 0.35 | 0.21 | 1.29 | 0.8 | 0.62 |  | < 0.001 | 9.4348645e-08 | 0.174207736222708 | 0.063386582783633 | 0.253408640467654 | 0.093112112039675 | 0.555204107945029 | 0.168366087744502 | < 0.001 | 0.000405839170885 | 0.004856589273205 | 0.009706792193455 | < 0.001 | 1.253890985e-05 | 0.750015141176675 | 0.785455918738117 | 0.409265012871526 | 0.779223589639099 | 0.397250102701948 | 0.665816608469156 |  | 0.6518611 | 3.44399 | 0.9207413 | 1.191466 | 0.7400548 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | Tocopherol metabolism | 59-02-9;10191-41-0; | 2305.4 | 502.5
 | 1282 |  | [NAME] metabolism | pyridoxate | LC/MS neg | 31555 | C00847 | HMDB00017 |  | 0.84 | 0.75 | 0.91 | 0.75 | 0.89 | 1.09 | 0.89 | 1.22 | 0.99 | 0.82 |  | 0.228675848163406 | 0.075837542288025 | 0.065265376772393 | 0.028976750590499 | 0.377724579377688 | 0.128727943987703 | 0.059764624395174 | 0.028882597658736 | 0.834718468797818 | 0.574852599618446 | 0.662310421388855 | 0.321245576747426 | 0.820450906416884 | 0.405670143425488 | 0.445086931617876 | 0.666086325692811 | 0.982709549159995 | 0.941853848113005 | 0.430857123294991 | 0.675652003511518 |  | 1.236333 | 1.037302 | 0.9266983 | 1.128551 | 0.9212185 |  | 100 | 100 | 100 | 100 | 100 |  | Cofactors and vitamins | [NAME] metabolism | 82-82-6 ; | 2210 | 182.1
 | 1318 | Xenobiotics | Chemical | glycolate (hydroxyacetate) | GC/MS | 15737 | C00160 | [NAME] |  | 0.88 | 0.94 | 1 | 0.93 | 1.07 | 1.14 | 1.07 | 1.06 | 0.99 | 0.94 |  | 0.432061920696588 | 0.127221418066597 | 0.690819906231767 | 0.181537183268533 | 0.771869456887974 | 0.220936740985994 | 0.602799065687742 | 0.179222788594973 | 0.732300831178579 | 0.527455650132174 | 0.854081144355891 | 0.373007353099922 | 0.972713294855834 | 0.445925690083495 | 0.980342375152593 | 0.824242568548748 | 0.808149694905364 | 0.920759126473464 | 0.863934626232552 | 0.786494448759029 |  | 1.009183 | 0.8838649 | 0.9476426 | 1.007263 | 0.9419164 |  | 100 | 100 | 100 | 87.5 | 100 |  | Xenobiotics | Chemical | 79-14-1; | 1119 | 177
 | 1338 |  |  | cyanurate | GC/MS | 20700 | C06554 | http://www.hmdb.ca/metabolites/ |  | 1.26 | 0.92 | 0.82 | 0.85 | 0.73 | 0.65 | 0.68 | 0.89 | 0.92 | 1.04 |  | 0.29368312344918 | 0.093308164075494 | 0.750207854514298 | 0.191417293291225 | 0.515043175740596 | 0.164266346266696 | 0.601289115147912 | 0.179163339201516 | 0.179808982878287 | 0.228763296390009 | 0.08731753963787 | 0.084233366965319 | 0.110927617803535 | 0.108577762431913 | 0.751156849070611 | 0.785455918738117 | 0.850961674769451 | 0.937025619273275 | 0.891549918499423 | 0.790619240461757 |  | 0.8945181 | 1.122687 | 0.8214966 | 0.7306627 | 0.757984 |  | 75 | 87.5 | 75 | 62.5 | 75 |  | Xenobiotics | Chemical | 108-80-5; | 1599.2 | 345.1
 | 1339 |  |  | 3-hydroxypyridine | GC/MS | 21169 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.69 | 1.13 | 1.21 | 1.17 | 1.64 | 1.75 | 1.69 | 1.07 | 1.03 | 0.96 |  | 0.050187108184635 | 0.022579889697863 | 0.646851766258282 | 0.172939237158661 | 0.344778423688492 | 0.119786213366195 | 0.346870932973942 | 0.121020887361568 | 0.033102031700017 | 0.068093904617363 | 0.007580856734308 | 0.014230176447832 | 0.003426018447663 | 0.008611579987181 | 0.669021205415494 | 0.770693685851098 | 0.708046691059195 | 0.885311757309551 | 0.926011161319658 | 0.80315509384266 |  | 0.9196144 | 0.6359444 | 1.041481 | 1.112692 | 1.07179 |  | 87.5 | 37.5 | 87.5 | 87.5 | 87.5 |  | Xenobiotics | Chemical | 109-00-2; | 1187.1 | 152
 | 1565 |  | Food component/Plant | ergothioneine | LC/MS pos | 37459 | C05570 | HMDB03045 |  | 0.12 | 0.09 | 0.08 | 0.07 | 0.69 | 0.64 | 0.6 | 0.93 | 0.86 | 0.93 |  | < 0.001 | 8.8910019e-08 | < 0.001 | 2.1444871e-08 | < 0.001 | 1.256734782e-06 | < 0.001 | 4.722155761e-06 | 0.016515467360442 | 0.04510318254967 | 0.011942445301527 | 0.020273880066941 | 0.012911154672568 | 0.0231293317402 | 0.534388633111732 | 0.714566027037165 | 0.309960675170255 | 0.747154107377373 | 0.631617218990685 | 0.720457141735071 |  | 9.891132 | 1.219431 | 0.8424354 | 0.7806397 | 0.7282102 |  | 100 | 100 | 100 | 100 | 100 |  | Xenobiotics | Food component/Plant | 58511-63-0; | 847 | 230.2
 | 1568 |  |  | N-glycolylneuraminate | GC/MS | 37123 | C03410 | HMDB00833 |  | 1.12 | 1.1 | 1.1 | 1.12 | 0.98 | 0.98 | 1 | 1 | 1.02 | 1.02 |  | 0.444027467638836 | 0.129265682729695 | 0.3806696768203 | 0.116748285926447 | 0.375779402460402 | 0.128646281205376 | 0.483462545918743 | 0.153247019153877 | 0.987552037775883 | 0.611943049203883 | 0.98459182968505 | 0.407196224547403 | 0.9711534655053 | 0.445925690083495 | 0.996412268856438 | 0.828184957997072 | 0.955424710873644 | 0.941853848113005 | 0.952422913788582 | 0.80315509384266 |  | 0.9160299 | 1.024635 | 1.009185 | 1.00889 | 1.027965 |  | 100 | 100 | 100 | 100 | 100 |  | Xenobiotics | Food component/Plant | 1113-83-3; | 2119 | 444.2
 | 1584 |  |  | stachydrine | LC/MS pos | 34384 | C10172 | HMDB04827 |  | 0.12 | 0.12 | 0.12 | 0.12 | 1 | 1 | 1 | 1 | 1 | 1 |  | 0.002800333330336 | 0.002295121885451 | 0.002800333330336 | 0.002477658984707 | 0.002800333330336 | 0.00297772042621 | 0.002800333330336 | 0.002470907700877 |  |  |  |  |  |  |  |  |  |  |  |  |  | 0.8781016 | 0.1015957 | 0.1015957 | 0.1015957 | 0.1015957 |  | 87.5 | 0 | 0 | 0 | 0 |  | Xenobiotics | Food component/Plant | 4136-37-2; | 860 | 144.1
 | 1585 |  |  | homostachydrine* | LC/MS pos | 33009 | C08283 | http://www.hmdb.ca/metabolites/ |  | 0.39 | 0.39 | 0.39 | 0.39 | 1 | 1 | 1 | 1 | 1 | 1 |  | < 0.001 | 0.000601443543255 | < 0.001 | 0.000775063047203 | < 0.001 | 0.000865141539908 | < 0.001 | 0.000744769190778 |  |  |  |  |  |  |  |  |  |  |  |  |  | 0.9426 | 0.3664806 | 0.3664806 | 0.3664806 | 0.3664806 |  | 100 | 0 | 0 | 0 | 0 |  | Xenobiotics | Food component/Plant | 1195-94-4; | 1199 | 158.2
 | 1609.1 |  |  | equol sulfate | LC/MS neg | 40478 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.49 | 0.49 | 0.49 | 0.49 | 1 | 1 | 1 | 1 | 1 | 1 |  | 0.005828619625619 | 0.003989362878299 | 0.005828619625619 | 0.004370875825114 | 0.005828619625619 | 0.005019104426525 | 0.005828619625619 | 0.004529304700763 |  |  |  |  |  |  |  |  |  |  |  |  |  | 1.085007 | 0.5369127 | 0.5369127 | 0.5369127 | 0.5369127 |  | 100 | 0 | 0 | 0 | 0 |  | Xenobiotics | Food component/Plant |  | 3625 | 321.2
 |  | N/A | N/A | X - 03094 | GC/MS | 12774 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.77 | 0.9 | 0.89 | 0.84 | 1.18 | 1.16 | 1.09 | 0.98 | 0.93 | 0.94 |  | 0.001835777923317 | 0.001574796935183 | 0.102218072004256 | 0.041488875019927 | 0.057734695833372 | 0.028040590889516 | 0.007436713395618 | 0.005381430451038 | 0.020851600017835 | 0.052012768803536 | 0.031288106443891 | 0.042492558369701 | 0.157603279186068 | 0.134845087505203 | 0.741962453821214 | 0.784361225381772 | 0.131953244922798 | 0.555670376676593 | 0.213870853866974 | 0.601914579254405 |  | 1.138679 | 0.8760794 | 1.02974 | 1.013148 | 0.9553944 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1978.7 | 299
 |  |  |  | X - 03998 | GC/MS | 16028 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.83 | 1.09 | 1.05 | 1.03 | 1.31 | 1.26 | 1.25 | 0.96 | 0.95 | 0.99 |  | 0.14350551966541 | 0.052910133325123 | 0.399571063273442 | 0.120738624077248 | 0.671267273569324 | 0.200042691445062 | 0.939819164430985 | 0.25144154992333 | 0.012409613057868 | 0.037634163340274 | 0.042615065685567 | 0.052155487923961 | 0.17600179160681 | 0.145348091626299 | 0.646316653426586 | 0.770693685851098 | 0.52080369761001 | 0.821515998572421 | 0.772383986653605 | 0.759367957560849 |  | 1.022488 | 0.8481367 | 1.113263 | 1.068543 | 1.056594 |  | 87.5 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1252 | 171
 |  |  |  | X - 04051 | GC/MS | 16116 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 3.63 | 3.28 | 2.23 | 2.14 | 0.9 | 0.61 | 0.59 | 0.68 | 0.65 | 0.96 |  | < 0.001 | 8.2311453391e-05 | < 0.001 | 0.000349772286484 | 0.004277949166752 | 0.004141100201852 | 0.023215620310243 | 0.013397088856697 | 0.546545982470381 | 0.446240814186959 | 0.032229700618581 | 0.043490757334477 | 0.032462065883182 | 0.045817729532435 | 0.12539922714467 | 0.425756881999945 | 0.09598045511039 | 0.52310575172737 | 0.699911487763125 | 0.729165073473675 |  | 0.4422552 | 1.606879 | 1.449896 | 0.9860614 | 0.9486027 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1968.7 | 357.1
 |  |  |  | X - 04077 | GC/MS | 16135 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.87 | 0.74 | 1.11 | 0.71 | 0.86 | 1.28 | 0.82 | 1.5 | 0.96 | 0.64 |  | 0.67430707918439 | 0.182283115841054 | 0.803008654888942 | 0.200113430903484 | 0.681847986255383 | 0.202765323703586 | 0.742784342571199 | 0.208599023403418 | 0.434133865332953 | 0.391823840610446 | 0.947024159151046 | 0.396331298882348 | 0.374455361752695 | 0.244358837703629 | 0.485783960892748 | 0.687683662666882 | 0.932951165026544 | 0.941853848113005 | 0.434940522324178 | 0.675652003511518 |  | 1.10364 | 0.9553452 | 0.8179437 | 1.223801 | 0.7876116 |  | 87.5 | 87.5 | 62.5 | 75 | 62.5 |  | N/A | N/A |  | 2266.5 | 227
 |  |  |  | X - 04272 | GC/MS | 16508 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.12 | 1.27 | 1.03 | 1.02 | 1.14 | 0.92 | 0.91 | 0.81 | 0.8 | 0.99 |  | 0.7424529434305 | 0.196575025746343 | 0.330175629286691 | 0.1043859421142 | 0.944175203567697 | 0.258447641768199 | 0.871919281741493 | 0.236136648654104 | 0.597078483557928 | 0.467685827547185 | 0.802447350059631 | 0.357125370419707 | 0.686023106234638 | 0.371545188535055 | 0.397419407265726 | 0.639722916435706 | 0.346243648770376 | 0.754983710123564 | 0.840039537243831 | 0.786494448759029 |  | 0.9285952 | 1.041162 | 1.182107 | 0.9572284 | 0.9477822 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1838.2 | 669.3
 |  |  |  | X - 04498 | GC/MS | 16821 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.98 | 1.5 | 1.59 | 1.12 | 1.52 | 1.62 | 1.14 | 1.06 | 0.75 | 0.71 |  | 0.995912849138215 | 0.244615969656222 | 0.061537213799944 | 0.027926411965304 | 0.049946911840172 | 0.025127689675802 | 0.445726549498258 | 0.144455653733655 | 0.050027654127896 | 0.088705755859339 | 0.041244964983059 | 0.050773853572573 | 0.415158019075353 | 0.263444247812072 | 0.835079947168456 | 0.799475044382777 | 0.174860439243612 | 0.580428362557701 | 0.138170798165556 | 0.601914579254405 |  | 0.6169407 | 0.6073779 | 0.9252214 | 0.9812564 | 0.691987 |  | 37.5 | 37.5 | 87.5 | 75 | 62.5 |  | N/A | N/A |  | 1434.9 | 103
 |  |  |  | X - 04795 | GC/MS | 17388 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.61 | 0.76 | 1.04 | 1.07 | 1.24 | 1.69 | 1.73 | 1.37 | 1.4 | 1.03 |  | 0.037910234911975 | 0.018136121398316 | 0.244395319775579 | 0.082259170209432 | 0.611408501147939 | 0.187786079309581 | 0.73014484655453 | 0.206320391956403 | 0.300941096755056 | 0.319918639305338 | < 0.001 | 0.002613728818937 | 0.011890783200693 | 0.022153472042226 | 0.050422882203411 | 0.307946170063711 | 0.11826019227964 | 0.528184918895132 | 0.914171276352567 | 0.800443044989761 |  | 1.048411 | 0.6436284 | 0.7973618 | 1.088558 | 1.116694 |  | 87.5 | 75 | 62.5 | 100 | 87.5 |  | N/A | N/A |  | 2350.3 | 309
 |  |  |  | X - 05229 | GC/MS | 17989 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.4 | 1.58 | 1.5 | 1.38 | 0.66 | 0.63 | 0.58 | 0.95 | 0.88 | 0.92 |  | < 0.001 | 0.000124000345125 | 0.00678009437687 | 0.00476479579455 | 0.011406841545022 | 0.008382627411589 | 0.10807413914735 | 0.046055123149928 | 0.001830916414037 | 0.008657012090615 | < 0.001 | 0.001868243363417 | 0.00367196720647 | 0.008946490728133 | 0.659266729949737 | 0.770693685851098 | 0.305374355335511 | 0.747154107377373 | 0.44659469263362 | 0.675652003511518 |  | 0.6691648 | 1.604201 | 1.055341 | 1.005284 | 0.924714 |  | 100 | 100 | 100 | 100 | 87.5 |  | N/A | N/A |  | 1461.6 | 211.1
 |  |  |  | X - 05978 | GC/MS | 19110 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.39 | 0.49 | 0.54 | 0.45 | 1.28 | 1.4 | 1.16 | 1.1 | 0.91 | 0.83 |  | < 0.001 | 0.00087531968786 | 0.004675108185565 | 0.003685646420263 | 0.017422616063957 | 0.011166507790021 | 0.001992801783313 | 0.001946570949978 | 0.344956693912294 | 0.343171388769828 | 0.444505382184141 | 0.245593769870515 | 0.570819030645082 | 0.334849219159901 | 0.95925201331086 | 0.824242568548748 | 0.689675289957744 | 0.885311757309551 | 0.772591377247869 | 0.759367957560849 |  | 1.621697 | 0.625343 | 0.7985586 | 0.8756485 | 0.7263699 |  | 100 | 62.5 | 75 | 62.5 | 75 |  | N/A | N/A |  | 1468.6 | 232.1
 |  |  |  | X - 06227 | GC/MS | 19363 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.59 | 0.59 | 0.61 | 0.5 | 1 | 1.04 | 0.85 | 1.04 | 0.85 | 0.82 |  | < 0.001 | 0.000520467851701 | 0.002828104568254 | 0.002484357149831 | < 0.001 | 0.001014059022945 | 0.004218949833776 | 0.003561786129919 | 0.882440557019339 | 0.588951813315876 | 0.701466321392201 | 0.332574657044877 | 0.289754976641583 | 0.201918269354234 | 0.663578566934395 | 0.770693685851098 | 0.376514568030486 | 0.756659457016192 | 0.212097041648385 | 0.601914579254405 |  | 1.715187 | 1.008655 | 1.011526 | 1.047379 | 0.8611129 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1210.5 | 196.1
 |  |  |  | X - 06350 | GC/MS | 19414 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.37 | 1.25 | 1.11 | 1.28 | 0.92 | 0.81 | 0.93 | 0.88 | 1.02 | 1.15 |  | 0.127580898508679 | 0.048195928986058 | 0.244804167762049 | 0.082259170209432 | 0.74382563056801 | 0.215196444011645 | 0.13597420036987 | 0.056014043120203 | 0.6773498582712 | 0.505331771100572 | 0.26973811515272 | 0.179688603403378 | 0.829052961281034 | 0.408672988099478 | 0.45111519388824 | 0.671733875727766 | 0.800913782190716 | 0.920759126473464 | 0.306710948138371 | 0.641760721737393 |  | 0.7321621 | 1.001913 | 0.9179208 | 0.8114845 | 0.9365265 |  | 62.5 | 87.5 | 75 | 62.5 | 87.5 |  | N/A | N/A |  | 1936.4 | 169.1
 |  |  |  | X - 06649 | GC/MS | 19599 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.82 | 0.92 | 0.72 | 0.57 | 1.12 | 0.88 | 0.7 | 0.78 | 0.62 | 0.79 |  | 0.109103675920806 | 0.042159051036561 | 0.516857139893771 | 0.145270037146542 | 0.045726360599508 | 0.023729199804549 | 0.002074421972191 | 0.00195662497701 | 0.625738051833034 | 0.482308651792035 | 0.229516651621357 | 0.158408928908782 | 0.013589851865651 | 0.023796026034982 | 0.188586652386457 | 0.484577599965415 | 0.018964407361866 | 0.422795336908257 | 0.282447938558632 | 0.641760721737393 |  | 1.226619 | 1.011053 | 1.134347 | 0.8858755 | 0.7029629 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1955.2 | 299.2
 |  |  |  | X - 06666 | GC/MS | 19602 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.99 | 1.17 | 1.15 | 1.03 | 1.17 | 1.15 | 1.03 | 0.98 | 0.88 | 0.9 |  | 0.943473954069537 | 0.235731903707931 | 0.11049125687334 | 0.043976031668367 | 0.083782820831758 | 0.037214828109829 | 0.85873379921692 | 0.233955538704137 | 0.099850605470906 | 0.148506481237084 | 0.074755929719066 | 0.076022228974292 | 0.813524542387403 | 0.40482391425735 | 0.914456791056158 | 0.813021908762779 | 0.22456199336804 | 0.675581393708759 | 0.213800316180643 | 0.601914579254405 |  | 0.9657564 | 0.9608541 | 1.125234 | 1.107698 | 0.9932141 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2053.1 | 318.2
 |  |  |  | X - 06667 | GC/MS | 19603 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.53 | 0.5 | 0.62 | 0.52 | 0.95 | 1.18 | 0.99 | 1.24 | 1.04 | 0.84 |  | < 0.001 | 1.7471610281e-05 | < 0.001 | 1.3604080836e-05 | < 0.001 | 0.000540676705261 | < 0.001 | 5.4460449871e-05 | 0.480468077031128 | 0.414737000339439 | 0.102572175550531 | 0.093364931795751 | 0.786890539228121 | 0.394096633069036 | 0.030067134541572 | 0.232087916173053 | 0.811157124672642 | 0.920759126473464 | 0.103813833729877 | 0.601914579254405 |  | 1.794566 | 0.9517297 | 0.9049488 | 1.119815 | 0.9375013 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2074 | 217.1
 |  |  |  | X - 06989 | GC/MS | 20018 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.77 | 1.47 | 1.37 | 1.59 | 0.83 | 0.77 | 0.9 | 0.93 | 1.08 | 1.16 |  | 0.150016552918292 | 0.054839337012516 | 0.241659550956298 | 0.08164868278842 | 0.442975167803465 | 0.144799357367371 | 0.081476897255373 | 0.037144513812631 | 0.694727303397353 | 0.510635972266082 | 0.497635833357918 | 0.263399387463202 | 0.994762810351543 | 0.453653146922506 | 0.742664698344206 | 0.784361225381772 | 0.651409442816824 | 0.870747975747549 | 0.438031402193398 | 0.675652003511518 |  | 0.5151443 | 0.9103328 | 0.7560932 | 0.7044166 | 0.8192633 |  | 50 | 75 | 62.5 | 50 | 75 |  | N/A | N/A |  | 2229 | 332.2
 |  |  |  | X - 07890 | GC/MS | 21013 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.72 | 0.84 | 0.82 | 0.73 | 1.16 | 1.13 | 1.01 | 0.97 | 0.87 | 0.89 |  | 0.769907382721198 | 0.200137726650144 | 0.851962317830131 | 0.207891365695638 | 0.896929760322914 | 0.247529810037217 | 0.865675840040792 | 0.23491094512268 | 0.155858848539479 | 0.209679483907598 | 0.191155827964217 | 0.14348133084364 | 0.673408083089688 | 0.368137517626164 | 0.725112391455723 | 0.784361225381772 | 0.051583937586515 | 0.470637999673923 | 0.045010735521324 | 0.565249439741983 |  | 1.266014 | 0.9146388 | 1.061957 | 1.03436 | 0.9249823 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2752.2 | 129
 |  |  |  | X - 08166 | GC/MS | 21390 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.88 | 0.9 | 0.92 | 0.9 | 1.02 | 1.05 | 1.03 | 1.03 | 1.01 | 0.98 |  | 0.275633088472609 | 0.088684722173756 | 0.374235021666128 | 0.115350142087763 | 0.501236218369497 | 0.16099379191469 | 0.389536443989598 | 0.130257662048944 | 0.961865494077763 | 0.610222161247921 | 0.518014537392058 | 0.271257148528597 | 0.819263981686266 | 0.405670143425488 | 0.636947241100541 | 0.76913392611004 | 0.88134595503806 | 0.937861296555617 | 0.710872636077577 | 0.729165073473675 |  | 1.061903 | 0.9308377 | 0.9504577 | 0.9808531 | 0.9596929 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1187.2 | 231.2
 |  |  |  | X - 08167 | GC/MS | 21391 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.94 | 0.98 | 0.92 | 0.85 | 1.04 | 0.98 | 0.91 | 0.94 | 0.87 | 0.92 |  | 0.419769217690625 | 0.124170093498305 | 0.732615573670525 | 0.188492837493445 | 0.331148392388518 | 0.116201245071491 | 0.149258397675999 | 0.060216785526055 | 0.861334442459342 | 0.582497386996787 | 0.733293346371191 | 0.342268159809694 | 0.271295366470389 | 0.19321283695034 | 0.711687541054323 | 0.779547983362194 | 0.302687442339925 | 0.747154107377373 | 0.37710295454876 | 0.648124983010399 |  | 1.081151 | 1.016719 | 1.058727 | 0.9996161 | 0.9208896 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1211.8 | 216.1
 |  |  |  | X - 08169 | GC/MS | 21394 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.08 | 1.31 | 1.37 | 1.3 | 1.21 | 1.27 | 1.21 | 1.05 | 1 | 0.95 |  | 0.345452835255821 | 0.106342816097334 | 0.021729605465794 | 0.012037754138178 | 0.008303441093186 | 0.006489541626696 | 0.045710513990436 | 0.022733269604338 | 0.015700862645195 | 0.043630779453176 | 0.001486693700083 | 0.003816567485516 | 0.086449004807581 | 0.090871837086675 | 0.477187114864745 | 0.681652329955189 | 0.870812857619835 | 0.937287998980701 | 0.478733670856561 | 0.675652003511518 |  | 0.8298943 | 0.8972036 | 1.086508 | 1.140363 | 1.082193 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1568.4 | 268.1
 |  |  |  | X - 08172 | GC/MS | 21397 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.77 | 0.68 | 1.09 | 1.07 | 0.89 | 1.42 | 1.39 | 1.6 | 1.57 | 0.98 |  | 0.853522275320381 | 0.217050114947516 | 0.863578477064385 | 0.210308600831356 | 0.380156882523092 | 0.1287364202963 | 0.45470460793057 | 0.14667023583543 | 0.954838608524704 | 0.609849403519177 | 0.219244771873329 | 0.153841423080029 | 0.280938695598178 | 0.19780390487468 | 0.145571883422728 | 0.430783098893647 | 0.202369837259599 | 0.634248334766146 | 0.87855407444524 | 0.790619240461757 |  | 1.526122 | 1.175079 | 1.041123 | 1.66723 | 1.637212 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1678.1 | 173.1
 |  |  |  | X - 08766 | GC/MS | 22032 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.68 | 0.83 | 0.84 | 0.77 | 1.23 | 1.24 | 1.14 | 1.01 | 0.93 | 0.91 |  | 0.003619845243699 | 0.002805934914078 | 0.049831683455376 | 0.023126307047738 | 0.064828628133735 | 0.030432929843053 | 0.004016533948615 | 0.003454878742285 | 0.090760525801786 | 0.138231804339536 | 0.074096839871053 | 0.075717761012946 | 0.209977195192167 | 0.164019651070067 | 0.893747086732692 | 0.808646095851868 | 0.439939818956399 | 0.785808100278082 | 0.358582344108133 | 0.648124983010399 |  | 1.201665 | 0.814593 | 1.000763 | 1.013767 | 0.9257387 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2033.9 | 315.1
 |  |  |  | X - 08791 | GC/MS | 22052 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.54 | 2.66 | 1.42 | 1.47 | 1.05 | 0.56 | 0.58 | 0.53 | 0.55 | 1.03 |  | 0.013390126892693 | 0.007590222598084 | < 0.001 | 0.000924520544708 | 0.199700078678138 | 0.077006072536083 | 0.270215802157307 | 0.099078723499057 | 0.601020130453154 | 0.468961611530374 | 0.103185983260005 | 0.093364931795751 | 0.127648963458003 | 0.117037471204481 | 0.00867637138422 | 0.117411207405912 | 0.023161973044252 | 0.422795336908257 | 0.970353331231639 | 0.80315509384266 |  | 0.5192367 | 1.318923 | 1.378584 | 0.735732 | 0.7613717 |  | 75 | 87.5 | 100 | 100 | 75 |  | N/A | N/A |  | 2599.5 | 311.3
 |  |  |  | X - 08895 | GC/MS | 22344 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.37 | 1.46 | 1.34 | 1.56 | 1.07 | 0.98 | 1.14 | 0.91 | 1.07 | 1.17 |  | 0.072577503563299 | 0.03039578526512 | 0.06696106724982 | 0.029431757394613 | 0.127195297365411 | 0.052355799722679 | 0.084500868673495 | 0.038141435709251 | 0.812203295594315 | 0.563018747012972 | 0.772988598444681 | 0.351445020636194 | 0.761348211448547 | 0.387766414572867 | 0.638974188197317 | 0.769327934031961 | 0.920298068399931 | 0.941853848113005 | 0.61821708255197 | 0.713095496584514 |  | 0.7699965 | 1.054205 | 1.12443 | 1.028131 | 1.200372 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1792.3 | 174.1
 |  |  |  | X - 08988 | GC/MS | 22481 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.73 | 1.06 | 1.21 | 1.01 | 1.46 | 1.65 | 1.38 | 1.14 | 0.95 | 0.83 |  | 0.285638096821119 | 0.091202503903805 | 0.822101838259992 | 0.203021895790062 | 0.527322162992025 | 0.166702140547316 | 0.863706477142563 | 0.234842493520737 | 0.173306449575991 | 0.225008646652078 | 0.076925661575555 | 0.077852614579853 | 0.41804230131279 | 0.263836706676228 | 0.669370633310214 | 0.770693685851098 | 0.697450995389435 | 0.885311757309551 | 0.441293213904663 | 0.675652003511518 |  | 1.090416 | 0.7941964 | 1.155656 | 1.314174 | 1.09595 |  | 100 | 100 | 87.5 | 100 | 87.5 |  | N/A | N/A |  | 1485.9 | 160.1
 |  |  |  | X - 08994 | GC/MS | 22494 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.92 | 1.4 | 1.15 | 1.2 | 1.53 | 1.26 | 1.3 | 0.82 | 0.85 | 1.04 |  | 0.374399757137583 | 0.113622771624034 | < 0.001 | 0.000439785460452 | 0.381497233079253 | 0.1287364202963 | 0.277462700659005 | 0.101193317269102 | 0.019741568577183 | 0.05003177979663 | 0.195518242648469 | 0.144585287115258 | 0.153224165609526 | 0.133646428469013 | 0.090235145205578 | 0.375000347524276 | 0.16703008695283 | 0.580428362557701 | 0.825142403235699 | 0.778926248566293 |  | 0.8695742 | 0.7981373 | 1.22168 | 1.003018 | 1.039818 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1878.7 | 447.2
 |  |  |  | X - 09026 | GC/MS | 22548 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.56 | 0.64 | 0.53 | 0.44 | 1.15 | 0.95 | 0.8 | 0.83 | 0.69 | 0.84 |  | 0.007510679860631 | 0.004930816681266 | 0.033051111872312 | 0.01679200764965 | 0.007396599779241 | 0.005932560738147 | < 0.001 | 0.00097837507909 | 0.361418903556425 | 0.350911509410527 | 0.630262205508372 | 0.312677213301345 | 0.164641686501778 | 0.138420811390661 | 0.227572836839136 | 0.510280549006256 | 0.033953742196361 | 0.460143725312943 | 0.452077318273103 | 0.675652003511518 |  | 1.501892 | 0.8353197 | 0.9582529 | 0.7939314 | 0.6641775 |  | 100 | 100 | 87.5 | 62.5 | 50 |  | N/A | N/A |  | 1599.5 | 156
 |  |  |  | X - 10358 | GC/MS | 25400 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.42 | 1.12 | 1.28 | 1.42 | 2.63 | 3.01 | 3.34 | 1.14 | 1.27 | 1.11 |  | < 0.001 | 0.000131370926858 | 0.600737517892303 | 0.163453010275325 | 0.194941594452526 | 0.075378243067242 | 0.03634562590644 | 0.018805429765003 | < 0.001 | 0.000710188486094 | < 0.001 | 0.000130768107905 | < 0.001 | 3.4299008122e-05 | 0.471893962074881 | 0.681652329955189 | 0.155514553201014 | 0.580428362557701 | 0.494799013071133 | 0.686979568950524 |  | 1.028193 | 0.4362092 | 1.147078 | 1.312705 | 1.45712 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1729.5 | 292.1
 |  |  |  | X - 10445 | LC/MS pos | 32894 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.86 | 1.11 | 1.02 | 1.15 | 1.3 | 1.19 | 1.34 | 0.92 | 1.03 | 1.12 |  | 0.167446306970906 | 0.059531457431915 | 0.231536581887584 | 0.079457670809841 | 0.964582153361386 | 0.262226102345887 | 0.289048763344927 | 0.104582208171131 | 0.031375699002116 | 0.066263818623037 | 0.201463003304356 | 0.145736257372742 | 0.043657173120005 | 0.056171806310244 | 0.350866374940348 | 0.601039305541608 | 0.903351121382431 | 0.941853848113005 | 0.371319594609045 | 0.648124983010399 |  | 0.9938017 | 0.8510724 | 1.105158 | 1.014831 | 1.138796 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1939 | 250.1
 |  |  |  | X - 10457 | LC/MS pos | 33014 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.31 | 0.56 | 0.61 | 0.57 | 1.82 | 1.98 | 1.84 | 1.09 | 1.01 | 0.93 |  | < 0.001 | 7.6642756807e-05 | < 0.001 | 0.000783825263759 | 0.00175446398717 | 0.002002107849981 | < 0.001 | 0.000459948251133 | 0.00526566204818 | 0.019718380916796 | 0.002221296667596 | 0.005027926424881 | 0.003802592275468 | 0.009129550199532 | 0.578315291361663 | 0.74755526909873 | 0.892171569473244 | 0.939125688894624 | 0.650666844504417 | 0.725874937757349 |  | 1.705008 | 0.5275335 | 0.9586182 | 1.04703 | 0.9718376 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1515 | 261.2
 |  |  |  | X - 10458 | LC/MS neg | 32955 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.06 | 0.2 | 0.26 | 0.24 | 3.54 | 4.59 | 4.25 | 1.3 | 1.2 | 0.93 |  | < 0.001 | 2.4285e-11 | < 0.001 | 1.22506097e-07 | < 0.001 | 6.752413997e-06 | < 0.001 | 2.0576644521e-05 | < 0.001 | 1.92925898e-07 | < 0.001 | 3.994575145e-06 | < 0.001 | 5.8267887832e-05 | 0.128896766528632 | 0.427640902347685 | 0.524400985065731 | 0.821515998572421 | 0.578167053995917 | 0.700403608036641 |  | 4.846951 | 0.2714769 | 0.9610807 | 1.245372 | 1.153353 |  | 100 | 75 | 100 | 100 | 100 |  | N/A | N/A |  | 3666 | 231.2
 |  |  |  | X - 10460 | GC/MS | 26418 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.19 | 0.18 | 0.18 | 0.18 | 0.99 | 0.99 | 0.99 | 1 | 1 | 1 |  | 0.013880097713063 | 0.007698395443387 | 0.01335912213623 | 0.008214753328788 | 0.01335912213623 | 0.009342910360053 | 0.01335912213623 | 0.008635512103086 | 0.350616662820208 | 0.344945901138931 | 0.350616662820208 | 0.213668414138439 | 0.350616662820208 | 0.231312551962507 |  |  |  |  |  |  |  | 0.7555434 | 0.1406553 | 0.139077 | 0.139077 | 0.139077 |  | 75 | 12.5 | 0 | 0 | 0 |  | N/A | N/A |  | 2771.4 | 204
 |  |  |  | X - 10500 | GC/MS | 27256 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.55 | 1.36 | 1.23 | 1.38 | 0.87 | 0.79 | 0.89 | 0.9 | 1.01 | 1.12 |  | 0.001999276957695 | 0.001703694378811 | 0.02347973950721 | 0.012948963706401 | 0.086452807081732 | 0.038159273780339 | 0.016018668097043 | 0.009736937368053 | 0.109203465320959 | 0.158691708179713 | 0.007706369689597 | 0.014230176447832 | 0.120327921683722 | 0.113451649849831 | 0.329578194773307 | 0.590171585251138 | 0.865628547560156 | 0.937287998980701 | 0.228569792022097 | 0.601914579254405 |  | 0.7590458 | 1.180056 | 1.030298 | 0.9302632 | 1.045551 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1229.9 | 211
 |  |  |  | X - 10510 | GC/MS | 27278 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.55 | 1.87 | 1.64 | 1.71 | 0.73 | 0.64 | 0.67 | 0.88 | 0.91 | 1.04 |  | < 0.001 | 0.000545140449014 | 0.004707839752491 | 0.003687810712992 | 0.013379199133272 | 0.009342910360053 | 0.029633387257611 | 0.016276478205722 | 0.001810957802107 | 0.008657012090615 | < 0.001 | 0.000157138274147 | 0.015416750821146 | 0.026546083926945 | 0.138786014585233 | 0.430034231451631 | 0.369125960568681 | 0.756659457016192 | 0.890684498181882 | 0.790619240461757 |  | 0.5880837 | 1.496825 | 1.098456 | 0.9636846 | 1.003194 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2470 | 297.2
 |  |  |  | X - 10593 | LC/MS pos | 33066 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.36 | 0.39 | 0.45 | 0.39 | 1.08 | 1.25 | 1.08 | 1.16 | 1 | 0.86 |  | < 0.001 | 0.000125917885319 | < 0.001 | 3.184891898e-06 | < 0.001 | 0.001263527948296 | < 0.001 | 0.000336431866486 | 0.407724709188976 | 0.375476618252134 | 0.375444242001238 | 0.22138211358054 | 0.780200463700069 | 0.392812375635515 | 0.712902027062685 | 0.779547983362194 | 0.65737339237025 | 0.870747975747549 | 0.542456406508875 | 0.698535954001081 |  | 2.379868 | 0.8618857 | 0.9289992 | 1.080265 | 0.9303666 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1256 | 172.2
 |  |  |  | X - 10609 | GC/MS | 27888 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.81 | 1.17 | 1.08 | 0.91 | 1.44 | 1.33 | 1.12 | 0.93 | 0.78 | 0.84 |  | 0.472203459824972 | 0.135627210011542 | 0.693245795592406 | 0.181786238730723 | 0.823232037327513 | 0.232495202820558 | 0.900070464200401 | 0.242321132402386 | 0.300282256214621 | 0.319918639305338 | 0.360860803245202 | 0.217038592583187 | 0.448701769199064 | 0.280149791580678 | 0.857453911827535 | 0.799475044382777 | 0.577163341310028 | 0.854731886209529 | 0.704202615726871 | 0.729165073473675 |  | 1.154832 | 0.9375136 | 1.345541 | 1.251259 | 1.053345 |  | 87.5 | 100 | 87.5 | 100 | 100 |  | N/A | N/A |  | 1961 | 348.2
 |  |  |  | X - 10611 | GC/MS | 27890 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.82 | 0.93 | 1.07 | 0.92 | 1.13 | 1.3 | 1.11 | 1.15 | 0.99 | 0.86 |  | 0.171379078990924 | 0.060750080348052 | 0.542042931444481 | 0.150819681141636 | 0.495849094791142 | 0.15962876630711 | 0.478227072209158 | 0.152718258413086 | 0.344713918113104 | 0.343171388769828 | 0.062062183248085 | 0.066317190697228 | 0.44509249183547 | 0.278643349506923 | 0.178581795710106 | 0.472785053610489 | 0.869024413346105 | 0.937287998980701 | 0.176227983858551 | 0.601914579254405 |  | 1.092524 | 0.89963 | 1.014947 | 1.166217 | 1.001515 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1998 | 369.1
 |  |  |  | X - 10677 | GC/MS | 28774 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.8 | 0.98 | 0.96 | 0.93 | 1.23 | 1.19 | 1.15 | 0.97 | 0.94 | 0.97 |  | 0.186136942385046 | 0.064733118374004 | 0.894442095301545 | 0.214846791135343 | 0.745114882999591 | 0.215196444011645 | 0.529833510894718 | 0.164666607237003 | 0.207749867917721 | 0.249293605120727 | 0.228645424583543 | 0.158326725173468 | 0.281139262350653 | 0.19780390487468 | 0.85597450666874 | 0.799475044382777 | 0.626897087919444 | 0.863866642340944 | 0.730209273651779 | 0.7367321552407 |  | 1.071838 | 0.8616777 | 1.055659 | 1.028605 | 0.9942825 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1438 | 269.1
 |  |  |  | X - 10747 | GC/MS | 30285 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.52 | 0.76 | 0.55 | 0.82 | 1.45 | 1.06 | 1.58 | 0.73 | 1.09 | 1.49 |  | 0.079048749514473 | 0.032393735606905 | 0.406889614050582 | 0.122050440191815 | 0.10035934656692 | 0.043210405975297 | 0.701308898304498 | 0.201926924766203 | 0.387384256762136 | 0.366329141930448 | 0.963700750729326 | 0.400128545444432 | 0.081316730691688 | 0.08840870177668 | 0.432283171956778 | 0.660017542482322 | 0.553217348694976 | 0.839573081001922 | 0.115842547250888 | 0.601914579254405 |  | 1.169424 | 0.6086692 | 0.8852332 | 0.6479211 | 0.9631548 |  | 87.5 | 75 | 75 | 87.5 | 100 |  | N/A | N/A |  | 1174.9 | 204.1
 |  |  |  | X - 10875 | GC/MS | 31360 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.79 | 0.72 | 0.79 | 0.77 | 0.91 | 1 | 0.97 | 1.1 | 1.07 | 0.97 |  | 0.063937962620847 | 0.027333042393216 | 0.020375839994935 | 0.011601345820756 | 0.065962691300117 | 0.030759551078243 | 0.023688685991241 | 0.013612644586357 | 0.376351565687125 | 0.360196959055923 | 0.937766567315035 | 0.394473823689176 | 0.841907038512156 | 0.412164074051339 | 0.431183237718223 | 0.660017542482322 | 0.37426031141015 | 0.756659457016192 | 0.932624444257546 | 0.80315509384266 |  | 1.30392 | 1.032878 | 0.9364997 | 1.028657 | 1.000157 |  | 100 | 87.5 | 87.5 | 100 | 100 |  | N/A | N/A |  | 1458 | 227
 |  |  |  | X - 10876 | GC/MS | 31361 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.32 | 1.26 | 1.26 | 1.25 | 0.96 | 0.96 | 0.95 | 1 | 0.99 | 0.98 |  | 0.01079372638263 | 0.006520598779554 | 0.005967607306276 | 0.004447490827941 | 0.003469351755337 | 0.003554478482366 | 0.035812731160595 | 0.018791274223725 | 0.704535119498021 | 0.511987756886049 | 0.745992462292276 | 0.345882310708445 | 0.592748812560201 | 0.340845074935753 | 0.905440162448312 | 0.811816974474965 | 0.791635512525458 | 0.920480600661393 | 0.716347399685357 | 0.730001333132283 |  | 0.8258063 | 1.088071 | 1.041072 | 1.04449 | 1.028757 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1485.9 | 70.9
 |  |  |  | X - 11081 | GC/MS | 32057 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1 | 0.9 | 0.92 | 0.74 | 0.9 | 0.92 | 0.74 | 1.02 | 0.82 | 0.8 |  | 0.996140084090377 | 0.244615969656222 | 0.446799433168864 | 0.12959652579106 | 0.619470459881225 | 0.189846784236906 | 0.07041937837092 | 0.033043472177909 | 0.443088147912001 | 0.395627483239705 | 0.612745132970653 | 0.305655853179384 | 0.068825385919173 | 0.078187287696244 | 0.636987872529775 | 0.76913392611004 | 0.386794158227815 | 0.756659457016192 | 0.100149702426928 | 0.601914579254405 |  | 1.123053 | 1.124655 | 1.013365 | 1.03645 | 0.8317283 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1596 | 159
 |  |  |  | X - 11204 | LC/MS pos | 32518 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.21 | 1.08 | 1.05 | 1.03 | 0.89 | 0.87 | 0.85 | 0.97 | 0.95 | 0.98 |  | 0.062208268141178 | 0.026771493492794 | 0.311343597395546 | 0.099713811462054 | 0.516106186668265 | 0.164266346266696 | 0.807317212513562 | 0.222160229226108 | 0.237264684890053 | 0.277356353747835 | 0.148874976379035 | 0.119160208507461 | 0.117101459796217 | 0.111310870279773 | 0.697797655686597 | 0.77698170154729 | 0.498095733094461 | 0.809931988517749 | 0.72959776681918 | 0.7367321552407 |  | 0.9131617 | 1.104517 | 0.9877505 | 0.9608224 | 0.9375318 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5263 | 229.2
 |  |  |  | X - 11315 | LC/MS pos | 32632 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.44 | 0.47 | 0.59 | 0.51 | 1.08 | 1.34 | 1.16 | 1.24 | 1.08 | 0.87 |  | < 0.001 | 0.000177660759685 | < 0.001 | 0.000414362737569 | < 0.001 | 0.000233458012056 | < 0.001 | 0.000216163660055 | 0.69966489921688 | 0.511987756886049 | 0.033358051500715 | 0.044164045425146 | 0.318285934748164 | 0.215476721117931 | 0.076126559071945 | 0.344281816983426 | 0.557876306529643 | 0.843688302940163 | 0.142790716254559 | 0.601914579254405 |  | 1.672222 | 0.7347147 | 0.7898185 | 0.9822091 | 0.8504833 |  | 100 | 62.5 | 75 | 100 | 100 |  | N/A | N/A |  | 1210 | 130.2
 |  |  |  | X - 11327 | LC/MS pos | 32644 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.3 | 1.18 | 1.23 | 1.29 | 0.91 | 0.95 | 0.99 | 1.05 | 1.1 | 1.05 |  | 0.01052830875972 | 0.006422478145615 | 0.091440700285967 | 0.037738617552589 | 0.063143262458837 | 0.029978834979394 | 0.014958098086866 | 0.009256836534587 | 0.098974145825802 | 0.147897287895362 | 0.398676660363532 | 0.229579272531908 | 0.830033690435256 | 0.408672988099478 | 0.651955475219826 | 0.770693685851098 | 0.189752578417103 | 0.608600929337475 | 0.522009319736685 | 0.69370762442494 |  | 0.8177926 | 1.060959 | 0.9610497 | 1.00606 | 1.052473 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5176 | 269.2
 |  |  |  | X - 11334 | LC/MS pos | 32651 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.8 | 0.49 | 0.46 | 0.38 | 0.61 | 0.58 | 0.47 | 0.95 | 0.78 | 0.81 |  | 0.157128281104246 | 0.056634597797935 | < 0.001 | 0.000475241576219 | < 0.001 | 0.000638346978748 | < 0.001 | 2.3974765548e-05 | 0.012403829526135 | 0.037634163340274 | 0.009981860888371 | 0.017657525781902 | < 0.001 | 0.001587670195687 | 0.772268441629771 | 0.78879969702104 | 0.138624372243366 | 0.561421162120055 | 0.285855868767107 | 0.641760721737393 |  | 1.831542 | 1.469694 | 0.8925737 | 0.8510591 | 0.6922686 |  | 100 | 100 | 100 | 75 | 100 |  | N/A | N/A |  | 982 | 259.1
 |  |  |  | X - 11342 | LC/MS neg | 32659 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.62 | 1.48 | 1.12 | 1.84 | 0.92 | 0.69 | 1.14 | 0.76 | 1.25 | 1.64 |  | 0.032158845244857 | 0.015794098115786 | 0.328789772621018 | 0.104215706380958 | 0.966888329248264 | 0.262226102345887 | 0.01229830945234 | 0.008009485389055 | 0.520942550225898 | 0.436532745267802 | 0.111709918374038 | 0.096705622891777 | 0.5855480772475 | 0.339217195860021 | 0.430389867351283 | 0.660017542482322 | 0.296743683251221 | 0.747154107377373 | 0.050918223648344 | 0.580801104987834 |  | 0.5804649 | 0.9390289 | 0.8593541 | 0.6516404 | 1.070247 |  | 100 | 87.5 | 62.5 | 50 | 87.5 |  | N/A | N/A |  | 870 | 113.1
 |  |  |  | X - 11412 | LC/MS pos | 32729 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.82 | 0.87 | 1.03 | 0.84 | 1.06 | 1.25 | 1.02 | 1.17 | 0.96 | 0.82 |  | 0.037914123205747 | 0.018136121398316 | 0.099127509485208 | 0.040501797843755 | 0.82018542822106 | 0.232101792456809 | 0.021783233521353 | 0.012677481239424 | 0.48414103870946 | 0.41564239641269 | 0.03915794138587 | 0.048775131027351 | 0.690180411813368 | 0.371719640173769 | 0.100844340934752 | 0.389918676517815 | 0.660261271997645 | 0.870747975747549 | 0.033588579851674 | 0.534064839509611 |  | 1.126162 | 0.9240144 | 0.9835889 | 1.15529 | 0.9457563 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 3836 | 204.2
 |  |  |  | X - 11533 | LC/MS neg | 32850 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.11 | 1.16 | 1.08 | 1.08 | 1.04 | 0.97 | 0.97 | 0.93 | 0.93 | 1 |  | 0.133584364567943 | 0.050113782765 | 0.052269816593365 | 0.023986273673225 | 0.216275047499409 | 0.081969230465913 | 0.458923339550373 | 0.147336055171346 | 0.535826416899642 | 0.443199902045964 | 0.654214191930503 | 0.318787667171732 | 0.624914800223559 | 0.354875324815689 | 0.282604295457994 | 0.566784608373965 | 0.347126006513558 | 0.754983710123564 | 0.849033712523759 | 0.786494448759029 |  | 0.9224904 | 1.026057 | 1.071272 | 0.9967805 | 0.9938352 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4904 | 243.2
 |  |  |  | X-11542: 1,1-undecanedicarboxylate | LC/MS pos | 32859 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.1 | 1.16 | 1.23 | 1.22 | 1.05 | 1.12 | 1.11 | 1.06 | 1.05 | 0.99 |  | 0.619730057308743 | 0.171492560411325 | 0.057566555292731 | 0.026318707951432 | 0.062555771985986 | 0.029865389238112 | 0.096533734671123 | 0.042046316188314 | 0.488529391092851 | 0.417148893622447 | 0.351220261460086 | 0.213668414138439 | 0.416908463502756 | 0.263836116968333 | 0.627468747239191 | 0.765243939904661 | 0.758688209791223 | 0.901950366284153 | 0.897215164620166 | 0.790619240461757 |  | 0.9082277 | 1.001235 | 1.054632 | 1.120477 | 1.107351 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5247 | 245.2
 |  |  |  | X - 11575 | LC/MS pos | 32892 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.94 | 1.03 | 1.3 | 1.07 | 1.1 | 1.38 | 1.14 | 1.26 | 1.03 | 0.82 |  | 0.794607636776957 | 0.205496784240951 | 0.643682762711223 | 0.17246691539481 | 0.110858805451027 | 0.047010007724214 | 0.458821924524633 | 0.147336055171346 | 0.429285355532404 | 0.390787926935587 | 0.055963150668048 | 0.062003164186993 | 0.274082237406934 | 0.194602493527359 | 0.134401395947238 | 0.429067954172925 | 0.723120643656701 | 0.891514237383316 | 0.185680138546276 | 0.601914579254405 |  | 0.9550321 | 0.8984076 | 0.9866298 | 1.243271 | 1.020592 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1799 | 264.1
 |  |  |  | X - 11578 | LC/MS pos | 32895 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.03 | 1.08 | 1.45 | 1.14 | 1.05 | 1.41 | 1.12 | 1.34 | 1.06 | 0.79 |  | 0.758008374144776 | 0.198649825813029 | 0.442436794132829 | 0.128634502651803 | 0.049828302261176 | 0.025127689675802 | 0.266117605988553 | 0.098102074180647 | 0.602646510005028 | 0.469075278708627 | 0.047449591327662 | 0.056431878506377 | 0.341778287096961 | 0.228065921162732 | 0.060316107416607 | 0.334634985128103 | 0.584810388979986 | 0.855078147985497 | 0.12132514983087 | 0.601914579254405 |  | 0.8957803 | 0.9185313 | 0.9651433 | 1.29716 | 1.025593 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2146 | 298.1
 |  |  |  | X - 11580 | LC/MS pos | 32897 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.52 | 0.86 | 0.86 | 0.82 | 1.65 | 1.65 | 1.57 | 1 | 0.95 | 0.95 |  | 0.001245271755021 | 0.001144542118533 | 0.031296337425327 | 0.015970667765838 | 0.163980263027771 | 0.064915910265602 | 0.043954285954169 | 0.022142977574249 | 0.005523541170126 | 0.020030890633171 | 0.0145190896271 | 0.02280866597667 | 0.012167486836801 | 0.022489080217163 | 0.71453183365716 | 0.779547983362194 | 0.426871592827695 | 0.779495724687071 | 0.861956537670469 | 0.786494448759029 |  | 1.207306 | 0.6284103 | 1.034317 | 1.036901 | 0.985433 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2152 | 664.1
 |  |  |  | X - 11581 | LC/MS pos | 32898 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.62 | 0.61 | 0.59 | 0.54 | 0.98 | 0.94 | 0.87 | 0.96 | 0.89 | 0.93 |  | 0.003662449257442 | 0.002821959797262 | < 0.001 | 0.000743313423055 | 0.001565043706585 | 0.00184598271787 | < 0.001 | 0.000456491958249 | 0.982414992287408 | 0.611436707230751 | 0.762759333408863 | 0.34905591050196 | 0.477172702950215 | 0.292437692566029 | 0.714374195840407 | 0.779547983362194 | 0.397916580593026 | 0.768066159257942 | 0.684075071244841 | 0.729165073473675 |  | 1.510337 | 0.9402142 | 0.9186777 | 0.8848861 | 0.818653 |  | 100 | 87.5 | 87.5 | 75 | 87.5 |  | N/A | N/A |  | 2181 | 468.2
 |  |  |  | X - 11584 | LC/MS pos | 32901 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.96 | 0.83 | 0.59 | 0.63 | 0.42 | 0.3 | 0.32 | 0.71 | 0.77 | 1.08 |  | 0.011558902694929 | 0.006737584902018 | 0.492916287816793 | 0.139678654178436 | 0.047248248757331 | 0.0242037843639 | 0.086022919561054 | 0.038700723676224 | 0.001522197796918 | 0.007777745141018 | < 0.001 | 0.000184633428218 | < 0.001 | 0.000408870158583 | 0.138381881726502 | 0.430034231451631 | 0.244697576443664 | 0.700235928887104 | 0.764258816298032 | 0.759367957560849 |  | 0.8293253 | 1.622638 | 0.6848592 | 0.4882869 | 0.5261938 |  | 75 | 100 | 75 | 25 | 25 |  | N/A | N/A |  | 2859 | 524
 |  |  |  | X - 11585 | LC/MS pos | 32902 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.04 | 1.19 | 1.44 | 1.34 | 1.14 | 1.38 | 1.29 | 1.21 | 1.13 | 0.93 |  | 0.750254698921404 | 0.197992049005091 | 0.152594797234226 | 0.057566354618928 | 0.012071975654372 | 0.008714755118337 | 0.028465388578697 | 0.015697985639246 | 0.225704790061743 | 0.266796599983152 | 0.013400407203573 | 0.021699011037209 | 0.035042018529965 | 0.047783983470801 | 0.048655216716697 | 0.303198415493412 | 0.165956713163566 | 0.580428362557701 | 0.406241542979668 | 0.667269101343848 |  | 0.8565379 | 0.8898456 | 1.016907 | 1.232277 | 1.146852 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2987 | 332
 |  |  |  | X - 11590 | LC/MS neg | 32907 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.45 | 0.45 | 0.45 | 0.45 | 1 | 1 | 1 | 1 | 1 | 1 |  | 0.004218905416366 | 0.003119939826059 | 0.004218905416366 | 0.003413522763846 | 0.004218905416366 | 0.004112305955484 | 0.004218905416366 | 0.003561786129919 |  |  |  |  |  |  |  |  |  |  |  |  |  | 0.831867 | 0.3739589 | 0.3739589 | 0.3739589 | 0.3739589 |  | 87.5 | 0 | 0 | 0 | 0 |  | N/A | N/A |  | 838 | 732
 |  |  |  | X - 11591 | LC/MS neg | 32908 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.01 | 0.59 | 0.5 | 0.6 | 0.58 | 0.5 | 0.59 | 0.85 | 1.02 | 1.19 |  | 0.95484300477147 | 0.237190826374796 | 0.001575373708054 | 0.001549958900634 | < 0.001 | 0.00064862058751 | 0.00514508169513 | 0.004188528596383 | 0.001418241566773 | 0.007365371948847 | < 0.001 | 0.001020291729478 | 0.004850557110565 | 0.011184371963186 | 0.333318195236319 | 0.590171585251138 | 0.937619507805284 | 0.941853848113005 | 0.430251646408956 | 0.675652003511518 |  | 1.104498 | 1.113476 | 0.6482821 | 0.5541762 | 0.6610578 |  | 100 | 100 | 75 | 50 | 62.5 |  | N/A | N/A |  | 767 | 472.1
 |  |  |  | X - 11592 | LC/MS neg | 32909 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.14 | 0.03 | 0.02 | 0.03 | 0.2 | 0.17 | 0.21 | 0.85 | 1.02 | 1.2 |  | 0.010690871655307 | 0.006488927652303 | < 0.001 | 0.000311674882842 | < 0.001 | 0.000417146131119 | < 0.001 | 0.000287149716123 | < 0.001 | 0.000451561985374 | < 0.001 | 0.000270604227532 | < 0.001 | 0.000244745763357 | 0.568364978139843 | 0.736953659449864 | 0.998677814513672 | 0.941853848113005 | 0.595873604365391 | 0.702558323479561 |  | 7.585178 | 1.052106 | 0.2147711 | 0.1828081 | 0.2185296 |  | 100 | 100 | 25 | 12.5 | 25 |  | N/A | N/A |  | 802 | 844.8
 |  |  |  | X - 11596 | LC/MS neg | 32913 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.46 | 1.62 | 2.15 | 2.24 | 3.55 | 4.72 | 4.91 | 1.33 | 1.38 | 1.04 |  | < 0.001 | 0.000327837925736 | < 0.001 | 4.2567163301e-05 | < 0.001 | 0.000315491661511 | < 0.001 | 7.8036264e-07 | < 0.001 | 6.7862181276e-05 | < 0.001 | 3.538247841e-06 | < 0.001 | 9.766412157e-06 | 0.053397276596571 | 0.321452863400231 | < 0.001 | 0.070255643620441 | 0.562243559097393 | 0.700403608036641 |  | 0.6676845 | 0.3045441 | 1.080554 | 1.437821 | 1.494763 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 936 | 178.1
 |  |  |  | X - 11598 | LC/MS neg | 32915 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.11 | 0.02 | 0.01 | 0.02 | 0.14 | 0.13 | 0.16 | 0.93 | 1.12 | 1.21 |  | 0.034491501464638 | 0.016622506675171 | 0.001020888386654 | 0.001131102303759 | < 0.001 | 0.001263527948296 | 0.001041013195481 | 0.001196431295939 | 0.00321023573673 | 0.013559696539768 | 0.00277202671126 | 0.005954381169024 | 0.003687929375382 | 0.008946490728133 | 0.350616662820208 | 0.601039305541608 | 0.649889973653343 | 0.870747975747549 | 0.350616662820208 | 0.648124983010399 |  | 9.953948 | 1.094055 | 0.1540577 | 0.1431978 | 0.1732779 |  | 87.5 | 100 | 12.5 | 12.5 | 12.5 |  | N/A | N/A |  | 971 | 817
 |  |  |  | X - 11606 | LC/MS neg | 32923 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.61 | 1.22 | 1.7 | 1.71 | 2 | 2.77 | 2.8 | 1.39 | 1.4 | 1.01 |  | 0.019310661017761 | 0.00979725229203 | 0.128688412059799 | 0.050242991592309 | 0.005027901481041 | 0.004566180978795 | 0.006433524977116 | 0.004834550431882 | < 0.001 | 0.000212286280307 | < 0.001 | 7.1616595085e-05 | < 0.001 | 0.00018489356827 | 0.016550393668547 | 0.174359079805954 | 0.029597718184758 | 0.428623012681671 | 0.983527467019923 | 0.80315509384266 |  | 0.7284626 | 0.4460409 | 0.8902081 | 1.236415 | 1.248526 |  | 100 | 0 | 100 | 100 | 100 |  | N/A | N/A |  | 1306 | 364.2
 |  |  |  | X - 11611 | LC/MS pos | 39413 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.4 | 0.28 | 0.21 | 0.27 | 0.71 | 0.53 | 0.67 | 0.75 | 0.95 | 1.27 |  | < 0.001 | 0.000118765310522 | 0.005526264772044 | 0.004195302458433 | 0.002399886654908 | 0.002631654566923 | < 0.001 | 0.000774648162274 | 0.159625019322761 | 0.209825481756624 | 0.036245409736045 | 0.046523723175128 | 0.085233747036511 | 0.090330717164263 | 0.367895331725046 | 0.612773516371629 | 0.870233924632274 | 0.937287998980701 | 0.251287504156602 | 0.625379497311387 |  | 2.61919 | 1.041825 | 0.7366464 | 0.5521958 | 0.6986508 |  | 100 | 100 | 87.5 | 100 | 100 |  | N/A | N/A |  | 1675.1 | 431.1
 |  |  |  | X - 11612 | LC/MS pos | 32974 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.72 | 0.79 | 0.77 | 0.79 | 1.1 | 1.07 | 1.09 | 0.97 | 0.99 | 1.02 |  | 0.017217330071358 | 0.008933256451425 | 0.026629351580981 | 0.013936038312302 | 0.016388734533858 | 0.010824002452691 | 0.03613545164904 | 0.018791274223725 | 0.318311570064347 | 0.332159887154486 | 0.459777864058905 | 0.250741402717366 | 0.429721198306922 | 0.270474550454408 | 0.690252817426625 | 0.77698170154729 | 0.855645146383304 | 0.937287998980701 | 0.883924999547628 | 0.790619240461757 |  | 1.279471 | 0.9235902 | 1.012218 | 0.9848447 | 1.006345 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1835 | 285
 |  |  |  | X - 11613 | LC/MS neg | 32930 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.58 | 0.53 | 0.52 | 0.46 | 0.91 | 0.89 | 0.78 | 0.97 | 0.86 | 0.88 |  | 0.003278732625102 | 0.002572514499488 | < 0.001 | 0.000762772949533 | < 0.001 | 0.00127123417215 | < 0.001 | 0.000195467017835 | 0.711259061952195 | 0.515609231450165 | 0.561055069920396 | 0.287145902545355 | 0.227586334676768 | 0.171743519546605 | 0.796001970935863 | 0.799404399085483 | 0.350729268275829 | 0.754983710123564 | 0.544053759019659 | 0.698535954001081 |  | 1.797188 | 1.047916 | 0.9572796 | 0.9296837 | 0.8189649 |  | 100 | 100 | 87.5 | 87.5 | 75 |  | N/A | N/A |  | 1658 | 369.1
 |  |  |  | X - 11615 | LC/MS neg | 32932 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 3.59 | 2.18 | 3.02 | 3.2 | 0.61 | 0.84 | 0.89 | 1.39 | 1.47 | 1.06 |  | < 0.001 | 2.891944248e-05 | 0.020787982733361 | 0.011727419380813 | 0.022653709695004 | 0.013764976447114 | 0.040196435274603 | 0.020436840335419 | 0.04011759193575 | 0.078450217258557 | 0.260925538860259 | 0.174761716548836 | 0.260975560172802 | 0.188749287254988 | 0.606552440449932 | 0.758463498308331 | 0.69516991539072 | 0.885311757309551 | 0.935908865031026 | 0.80315509384266 |  | 0.3857502 | 1.384905 | 0.8390722 | 1.16552 | 1.234166 |  | 62.5 | 100 | 87.5 | 87.5 | 75 |  | N/A | N/A |  | 1604 | 228.2
 |  |  |  | X - 11617 | LC/MS neg | 32934 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.95 | 0.93 | 0.92 | 0.87 | 0.98 | 0.97 | 0.92 | 0.99 | 0.93 | 0.94 |  | 0.942706061738983 | 0.235731903707931 | 0.845843685797309 | 0.207220633375743 | 0.688278442669492 | 0.203813969509579 | 0.707387378712041 | 0.202823101421863 | 0.868867570869816 | 0.582805632247375 | 0.600878822058496 | 0.302023772377603 | 0.588422662269107 | 0.340036625848551 | 0.505692700039107 | 0.696404372385536 | 0.450368495476394 | 0.79714152346061 | 0.930796799057501 | 0.80315509384266 |  | 1.118868 | 1.061507 | 1.044883 | 1.030248 | 0.9724072 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1705 | 495.3
 |  |  |  | X - 11623 | LC/MS pos | 33017 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.51 | 0.51 | 0.51 | 0.51 | 1 | 1 | 1 | 1 | 1 | 1 |  | 0.001318227314144 | 0.001194531588685 | 0.001318227314144 | 0.001328853417818 | 0.001318227314144 | 0.001666922655015 | 0.001318227314144 | 0.001408039542012 |  |  |  |  |  |  |  |  |  |  |  |  |  | 0.9411363 | 0.4766002 | 0.4766002 | 0.4766002 | 0.4766002 |  | 100 | 0 | 0 | 0 | 0 |  | N/A | N/A |  | 2602 | 305.2
 |  |  |  | X - 11632 | LC/MS neg | 32949 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.12 | 0.13 | 0.16 | 0.16 | 1.09 | 1.43 | 1.42 | 1.31 | 1.3 | 0.99 |  | < 0.001 | 1.34668685e-07 | < 0.001 | 1.2663759e-07 | < 0.001 | 5.319940448e-06 | < 0.001 | 2.3974765548e-05 | 0.50669877857492 | 0.42690999334311 | 0.13909682450617 | 0.113053171120645 | 0.270800688945786 | 0.19321283695034 | 0.28391985356751 | 0.566784608373965 | 0.481505888644604 | 0.809931988517749 | 0.870926290248734 | 0.787738801875008 |  | 6.664778 | 0.7695722 | 0.8357072 | 1.098658 | 1.089921 |  | 100 | 87.5 | 87.5 | 100 | 75 |  | N/A | N/A |  | 3410 | 229.1
 |  |  |  | X - 11639 | LC/MS pos | 33346 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.38 | 0.53 | 0.28 | 0.41 | 1.4 | 0.74 | 1.1 | 0.53 | 0.78 | 1.48 |  | < 0.001 | 0.000946703450254 | < 0.001 | 0.001108355306543 | < 0.001 | 0.000118777530963 | 0.001312078887412 | 0.001408039542012 | 0.123070597647483 | 0.170999078982808 | 0.372520953598702 | 0.220895897577742 | 0.642878543466605 | 0.358052647799538 | 0.008915861248315 | 0.117411207405912 | 0.260159502056006 | 0.735671923458586 | 0.158306132510565 | 0.601914579254405 |  | 2.250671 | 0.8483679 | 1.187945 | 0.6295643 | 0.9290153 |  | 100 | 100 | 100 | 100 | 87.5 |  | N/A | N/A |  | 4024 | 434.1
 |  |  |  | X - 11641 | LC/MS neg | 32958 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.94 | 1.25 | 1.02 | 1.22 | 1.33 | 1.08 | 1.3 | 0.82 | 0.98 | 1.2 |  | 0.481130341562692 | 0.137883431092937 | 0.797138389435757 | 0.199257751088591 | 0.852549844814088 | 0.239810036841458 | 0.361969420244933 | 0.124384796990814 | 0.574739288291523 | 0.456322936738162 | 0.747778311945322 | 0.345882310708445 | 0.210910391274892 | 0.164019651070067 | 0.739244200331358 | 0.784361225381772 | 0.746383520136159 | 0.896210779789446 | 0.381206011142967 | 0.648124983010399 |  | 0.9957567 | 0.9395062 | 1.247288 | 1.016825 | 1.217397 |  | 100 | 87.5 | 87.5 | 87.5 | 87.5 |  | N/A | N/A |  | 3950 | 325.3
 |  |  |  | X - 11650 | LC/MS neg | 32967 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.53 | 0.51 | 0.69 | 0.99 | 0.96 | 1.29 | 1.86 | 1.35 | 1.93 | 1.43 |  | 0.046535340613361 | 0.021321340642958 | 0.033980219747648 | 0.017127065516462 | 0.239551903624517 | 0.089187994400124 | 0.527502183823823 | 0.164338089288126 | 0.851188817768819 | 0.579892197531253 | 0.332309245394204 | 0.205744770119167 | 0.374588907983892 | 0.244358837703629 | 0.253424738755505 | 0.540437658172025 | 0.320778071567925 | 0.747154107377373 | 0.799985591650868 | 0.766344131064874 |  | 1.137325 | 0.607921 | 0.5835288 | 0.7862968 | 1.127951 |  | 75 | 37.5 | 37.5 | 75 | 50 |  | N/A | N/A |  | 5013 | 512.3
 |  |  |  | X - 11651 | LC/MS neg | 32968 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.43 | 0.29 | 0.48 | 0.75 | 0.68 | 1.1 | 1.74 | 1.62 | 2.57 | 1.58 |  | 0.034477425305749 | 0.016622506675171 | 0.005781620246594 | 0.004362230002855 | 0.056482485509482 | 0.027527668745565 | 0.484057876135017 | 0.153247019153877 | 0.560960194387068 | 0.451034883269127 | 0.785176178904502 | 0.354956018075121 | 0.085275263361874 | 0.090330717164263 | 0.381998731017256 | 0.623933702975542 | 0.015440834733765 | 0.422795336908257 | 0.138923054597334 | 0.601914579254405 |  | 1.891012 | 0.8175029 | 0.55343 | 0.8982965 | 1.419916 |  | 100 | 87.5 | 50 | 87.5 | 100 |  | N/A | N/A |  | 5074 | 498.3
 |  |  |  | X - 11672 | LC/MS pos | 33010 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.24 | 0.17 | 0.16 | 0.15 | 0.74 | 0.67 | 0.62 | 0.92 | 0.84 | 0.92 |  | < 0.001 | 8.1039901786e-05 | < 0.001 | 1.0870094717e-05 | < 0.001 | 1.0545962878e-05 | < 0.001 | 7.851142004e-06 | 0.333566819634674 | 0.337608066979167 | 0.177269549577539 | 0.137698797518547 | 0.092138268097656 | 0.094945188070994 | 0.477060786493677 | 0.681652329955189 | 0.178539686192497 | 0.580428362557701 | 0.54990365290769 | 0.698535954001081 |  | 4.341071 | 1.028712 | 0.7564 | 0.6934326 | 0.6370594 |  | 100 | 62.5 | 75 | 50 | 50 |  | N/A | N/A |  | 4501 | 181.2
 |  |  |  | X - 11677 | LC/MS pos | 33015 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.49 | 0.54 | 0.58 | 0.54 | 1.1 | 1.17 | 1.09 | 1.07 | 0.99 | 0.93 |  | < 0.001 | 4.1671373283e-05 | < 0.001 | 1.3368899766e-05 | < 0.001 | 4.9746192094e-05 | < 0.001 | 5.4460449871e-05 | 0.306027257901881 | 0.32315670018934 | 0.108462527282699 | 0.095249213587539 | 0.399061918332597 | 0.256727900369956 | 0.443662691595748 | 0.666086325692811 | 0.887045414127777 | 0.937861296555617 | 0.404009085455967 | 0.666267263476561 |  | 1.769128 | 0.8712942 | 0.9568725 | 1.022987 | 0.9494891 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1878 | 267.1
 |  |  |  | X - 11687 | LC/MS pos | 33031 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.92 | 0.66 | 0.69 | 0.62 | 0.72 | 0.75 | 0.67 | 1.05 | 0.94 | 0.89 |  | 0.514127290792432 | 0.146686380642688 | 0.012545622130578 | 0.007831998195609 | 0.030798392920759 | 0.017644529928132 | 0.005571177509354 | 0.0044299318069 | 0.108306332711929 | 0.158296466970884 | 0.16414392470696 | 0.128930396013009 | 0.05403328479597 | 0.0647239411014 | 0.886494719169949 | 0.808646095851868 | 0.646668483577458 | 0.870747975747549 | 0.575889563326849 | 0.700403608036641 |  | 1.225837 | 1.132409 | 0.8126544 | 0.850821 | 0.7606289 |  | 100 | 87.5 | 75 | 87.5 | 75 |  | N/A | N/A |  | 2182 | 384.1
 |  |  |  | X - 11693 | LC/MS pos | 33037 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.85 | 0.72 | 0.79 | 0.7 | 0.85 | 0.93 | 0.83 | 1.09 | 0.98 | 0.89 |  | 0.209723430189466 | 0.070460197390854 | 0.040727650891405 | 0.019719788242562 | 0.09690348988328 | 0.042109978281413 | 0.016002925659767 | 0.009736937368053 | 0.157886195880645 | 0.209679483907598 | 0.40874593210989 | 0.232320032196844 | 0.064823401551835 | 0.075106428848291 | 0.497322665369234 | 0.691824683867181 | 0.980807892893734 | 0.941853848113005 | 0.401750719333672 | 0.666267263476561 |  | 1.251719 | 1.061427 | 0.9012403 | 0.9865816 | 0.8824039 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2458 | 494
 |  |  |  | X - 11709 | LC/MS pos | 33055 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.96 | 0.96 | 0.96 | 0.96 | 1 | 1 | 1 | 1 | 1 | 1 |  | 0.12772298435583 | 0.048195928986058 | 0.12772298435583 | 0.050036940617926 | 0.12772298435583 | 0.052419282642034 | 0.12772298435583 | 0.052773944431203 |  |  |  |  |  |  |  |  |  |  |  |  |  | 0.9604021 | 0.9208043 | 0.9208043 | 0.9208043 | 0.9208043 |  | 50 | 0 | 0 | 0 | 0 |  | N/A | N/A |  | 784 | 846.7
 |  |  |  | X - 11715 | LC/MS pos | 33060 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.12 | 0.05 | 0.05 | 0.05 | 0.42 | 0.42 | 0.42 | 1 | 1 | 1 |  | 0.011666667604453 | 0.006762223602618 | 0.00525499708222 | 0.004039234795308 | 0.00525499708222 | 0.004728201785035 | 0.00525499708222 | 0.004252695289998 | 0.350616662820208 | 0.344945901138931 | 0.350616662820208 | 0.213668414138439 | 0.350616662820208 | 0.231312551962507 |  |  |  |  |  |  |  | 0.8620058 | 0.09992633 | 0.04206868 | 0.04206868 | 0.04206868 |  | 75 | 25 | 0 | 0 | 0 |  | N/A | N/A |  | 1055 | 946
 |  |  |  | X - 11761 | GC/MS | 33106 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.38 | 0.42 | 0.58 | 0.36 | 1.09 | 1.51 | 0.94 | 1.39 | 0.87 | 0.62 |  | < 0.001 | 0.000123757786412 | < 0.001 | 0.00058423035863 | 0.023733138655152 | 0.014297080984921 | < 0.001 | 0.000310772670013 | 0.752456654064816 | 0.533271375473622 | 0.273893445380093 | 0.180572996467079 | 0.575540647926977 | 0.33667277255559 | 0.405421105128316 | 0.644698575297799 | 0.425221491436695 | 0.779495724687071 | 0.157845213430055 | 0.601914579254405 |  | 2.235504 | 0.8559657 | 0.9342513 | 1.294148 | 0.8083678 |  | 100 | 87.5 | 100 | 87.5 | 100 |  | N/A | N/A |  | 1991 | 469.4
 |  |  |  | X - 11787 | LC/MS pos | 33132 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.73 | 0.73 | 0.55 | 0.6 | 0.99 | 0.76 | 0.82 | 0.76 | 0.82 | 1.08 |  | 0.014773668856451 | 0.008089397476295 | 0.00216801703155 | 0.002012483730105 | < 0.001 | 7.8123248421e-05 | 0.001871545007084 | 0.001854811076324 | 0.919654650894442 | 0.601940713220798 | 0.072296458494415 | 0.074602289080252 | 0.211288463440132 | 0.164019651070067 | 0.021127202770675 | 0.193544306466147 | 0.136246679051906 | 0.556507801927849 | 0.749521323794092 | 0.752518836606977 |  | 1.411876 | 1.031286 | 1.024444 | 0.7819355 | 0.8449862 |  | 100 | 87.5 | 100 | 87.5 | 87.5 |  | N/A | N/A |  | 1126 | 148.1
 |  |  |  | X - 11875 | LC/MS neg | 33220 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.3 | 1.37 | 1.17 | 1.29 | 1.06 | 0.9 | 0.99 | 0.85 | 0.94 | 1.1 |  | 0.046561305804485 | 0.021321340642958 | 0.03045441908783 | 0.015671083374106 | 0.211904788261483 | 0.080680173602742 | 0.108094721957868 | 0.046055123149928 | 0.651861193199051 | 0.495214532486932 | 0.299005589615691 | 0.190047522759702 | 0.799282692693012 | 0.398588608035309 | 0.185692651118055 | 0.480068647153936 | 0.553398357220734 | 0.839573081001922 | 0.549045702558145 | 0.698535954001081 |  | 0.8160332 | 1.059838 | 1.120936 | 0.9573944 | 1.051523 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5272 | 381.3
 |  |  |  | X - 11905 | LC/MS neg | 33250 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.03 | 1.44 | 1.66 | 1.2 | 0.71 | 0.82 | 0.59 | 1.15 | 0.83 | 0.72 |  | < 0.001 | 0.000435413632642 | 0.012532227679492 | 0.007831998195609 | 0.001362943718402 | 0.00170807926814 | 0.296049240712206 | 0.105716717336057 | 0.033077767212543 | 0.068093904617363 | 0.199007226738775 | 0.144986803612415 | 0.004899383029323 | 0.01118619988333 | 0.218305893480869 | 0.497298966785062 | 0.164868887029903 | 0.580428362557701 | 0.026341503511754 | 0.534064839509611 |  | 0.6899871 | 1.403439 | 0.9947303 | 1.145565 | 0.8263105 |  | 87.5 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4401 | 283.2
 |  |  |  | X - 12051 | LC/MS pos | 33403 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.45 | 1.46 | 1.45 | 1.3 | 1 | 1 | 0.9 | 1 | 0.9 | 0.9 |  | 0.456928157487228 | 0.132288827253403 | 0.106454605915284 | 0.042784812431002 | 0.10220679289755 | 0.043781692632736 | 0.394833961238455 | 0.131707084389695 | 0.503358130062558 | 0.426363279472513 | 0.490596002938515 | 0.26145214384223 | 0.997690549462341 | 0.453653146922506 | 0.96462423090569 | 0.824242568548748 | 0.37679576380261 | 0.756659457016192 | 0.361218024792528 | 0.648124983010399 |  | 0.8334407 | 1.208155 | 1.213414 | 1.209317 | 1.087054 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5739 | 456.4
 |  |  |  | X - 12095 | LC/MS pos | 33510 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.02 | 1.03 | 1.07 | 1.13 | 1.01 | 1.04 | 1.11 | 1.03 | 1.1 | 1.06 |  | 0.642079963066162 | 0.175042213239468 | 0.666991011503165 | 0.176786298612762 | 0.580948820455598 | 0.180404580933145 | 0.207247962497875 | 0.078954031865128 | 0.978573588412739 | 0.611436707230751 | 0.80722073774511 | 0.35773711336901 | 0.174200178114655 | 0.144887832993331 | 0.847249146703501 | 0.799475044382777 | 0.28557956402327 | 0.747154107377373 | 0.470059313514217 | 0.675652003511518 |  | 0.9566152 | 0.9784967 | 0.9891056 | 1.019099 | 1.08502 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1638 | 153.1
 |  |  |  | X - 12104 | LC/MS pos | 33519 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.6 | 0.84 | 0.82 | 0.75 | 1.4 | 1.37 | 1.26 | 0.97 | 0.9 | 0.92 |  | 0.005512614583934 | 0.003855098543036 | 0.332761970847239 | 0.104598383108959 | 0.261082545983225 | 0.095681326340173 | 0.094734668455758 | 0.041795135473968 | 0.007576993066371 | 0.025810014583218 | 0.025697111240916 | 0.036062708620777 | 0.019936836199782 | 0.031584954788849 | 0.779414224031768 | 0.791437204027424 | 0.308613086118101 | 0.747154107377373 | 0.568383720239068 | 0.700403608036641 |  | 1.364773 | 0.820672 | 1.150192 | 1.120923 | 1.030171 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1755 | 271.1
 |  |  |  | X - 12205 | LC/MS pos | 33626 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.14 | 0.16 | 0.17 | 0.19 | 1.17 | 1.25 | 1.39 | 1.07 | 1.18 | 1.11 |  | < 0.001 | 6.30124381e-06 | < 0.001 | 1.3665408719e-05 | < 0.001 | 5.3108805707e-05 | < 0.001 | 6.698933626e-05 | 0.38913411583147 | 0.366888702477214 | 0.432552733844883 | 0.241701268898269 | 0.046477732432383 | 0.058825883971875 | 0.930534049569873 | 0.823799545019518 | 0.20305775147674 | 0.634248334766146 | 0.394907386649007 | 0.664602730564247 |  | 5.370221 | 0.7270303 | 0.8531013 | 0.9109973 | 1.010219 |  | 100 | 100 | 100 | 87.5 | 100 |  | N/A | N/A |  | 3859 | 190.1
 |  |  |  | X - 12206 | LC/MS neg | 33627 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.24 | 1.17 | 0.98 | 1.06 | 0.95 | 0.79 | 0.86 | 0.84 | 0.91 | 1.08 |  | 0.120296215834498 | 0.045932252354896 | 0.284789775262269 | 0.092657204943395 | 0.897629607869507 | 0.247529810037217 | 0.543970869376189 | 0.167754276512417 | 0.661902800488095 | 0.498065467119054 | 0.080154465103758 | 0.080175352132597 | 0.244788017891298 | 0.182132383796323 | 0.21690951107314 | 0.497298966785062 | 0.532650483180716 | 0.826461833677179 | 0.426304563745619 | 0.675652003511518 |  | 0.9611286 | 1.187301 | 1.126484 | 0.9438859 | 1.020127 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 654 | 255.1
 |  |  |  | X - 12421 | LC/MS pos | 33849 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.7 | 2.47 | 2.12 | 1.7 | 1.45 | 1.25 | 1 | 0.86 | 0.69 | 0.8 |  | 0.327014773924898 | 0.101639544423426 | 0.063057516925814 | 0.028511138735561 | 0.055682059168976 | 0.02742322640571 | 0.3970716787477 | 0.132131261597737 | 0.32325190418952 | 0.333562350151472 | 0.293102372608796 | 0.188109525378939 | 0.924697604616754 | 0.433296017590232 | 0.981861669072726 | 0.824242568548748 | 0.314772210627951 | 0.747154107377373 | 0.290106529676433 | 0.641760721737393 |  | 0.6726194 | 1.144162 | 1.658524 | 1.42747 | 1.143137 |  | 87.5 | 87.5 | 100 | 100 | 87.5 |  | N/A | N/A |  | 5876 | 370
 |  |  |  | X - 12450 | LC/MS neg | 33892 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.83 | 1.09 | 0.83 | 0.93 | 0.59 | 0.45 | 0.51 | 0.76 | 0.85 | 1.11 |  | 0.022703510445111 | 0.011411657414559 | 0.31119998471795 | 0.099713811462054 | 0.886724432069071 | 0.245972343971062 | 0.530964683395661 | 0.164666607237003 | 0.00556427548058 | 0.020030890633171 | < 0.001 | 0.001483955722718 | < 0.001 | 0.001235757486597 | 0.131463828671809 | 0.427640902347685 | 0.341479572951057 | 0.754983710123564 | 0.365792227231337 | 0.648124983010399 |  | 1.032482 | 1.887282 | 1.122925 | 0.8584766 | 0.9566734 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5397 | 251.4
 |  |  |  | X - 12465  hydroxybutyrylcarnitine | LC/MS pos | 33910 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.64 | 0.39 | 0.68 | 0.69 | 0.61 | 1.06 | 1.08 | 1.75 | 1.78 | 1.02 |  | 0.065778984261749 | 0.027842565915547 | < 0.001 | 0.00111640983591 | 0.107217034282419 | 0.045603478637613 | 0.138724611590015 | 0.056804866337655 | 0.020220387826219 | 0.050838560460805 | 0.939589919871302 | 0.394473823689176 | 0.938935832817544 | 0.43732797854215 | 0.028417309129317 | 0.230290402734571 | 0.040587706320503 | 0.46182390860505 | 0.9938714268793 | 0.805392425753639 |  | 1.721496 | 1.09981 | 0.6676665 | 1.165508 | 1.190446 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1475 | 248.2
 |  |  |  | X - 12505 | LC/MS pos | 34031 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.86 | 1.9 | 1.78 | 1.75 | 1.02 | 0.96 | 0.94 | 0.94 | 0.92 | 0.98 |  | 0.001134884210142 | 0.00105820094341 | < 0.001 | 0.000539176724882 | < 0.001 | 0.000858782072593 | 0.001164135450578 | 0.001305035049048 | 0.798699041700383 | 0.558546416714529 | 0.862735154472519 | 0.375229893968769 | 0.756097735894402 | 0.386148585673301 | 0.627120478675676 | 0.765243939904661 | 0.541662024895024 | 0.832336986102792 | 0.86289450923839 | 0.786494448759029 |  | 0.6155747 | 1.142331 | 1.168074 | 1.093893 | 1.076044 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1848 | 406.8
 |  |  |  | X - 12602 | LC/MS pos | 34170 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.72 | 0.84 | 1.01 | 1.12 | 1.15 | 1.4 | 1.55 | 1.21 | 1.34 | 1.11 |  | 0.14183338807674 | 0.052443891537474 | 0.438208560676862 | 0.128010432226366 | 0.978748373799717 | 0.264189669510388 | 0.327238660388755 | 0.115946005990752 | 0.397981310824813 | 0.371909514137989 | 0.179280765079002 | 0.137736306042852 | 0.011699988252578 | 0.022152445044558 | 0.49338292415559 | 0.690738797632422 | 0.047026475428466 | 0.470637999673923 | 0.363651900481415 | 0.648124983010399 |  | 0.9767157 | 0.7077867 | 0.8158232 | 0.9881136 | 1.094806 |  | 87.5 | 62.5 | 87.5 | 87.5 | 100 |  | N/A | N/A |  | 1456 | 204.2
 |  |  |  | X - 12610 | LC/MS pos | 34204 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.69 | 1.14 | 0.75 | 0.96 | 1.67 | 1.09 | 1.39 | 0.65 | 0.83 | 1.28 |  | 0.012756477465616 | 0.007295312924808 | 0.192044633815945 | 0.069059379626677 | 0.009211783343544 | 0.007104286197933 | 0.696383320199478 | 0.201883886091954 | 0.001861260137017 | 0.008663055442458 | 0.352212288394571 | 0.213668414138439 | 0.01768146071624 | 0.029412467370115 | < 0.001 | 0.014299059924724 | 0.070143585321545 | 0.500315953772189 | 0.007797569238586 | 0.317908024139839 |  | 1.165761 | 0.8004242 | 1.334497 | 0.872217 | 1.113328 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1771 | 655.1
 |  |  |  | X - 12627 | LC/MS neg | 34221 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.99 | 2.73 | 0.96 | 1.73 | 2.75 | 0.97 | 1.74 | 0.35 | 0.63 | 1.79 |  | 0.930931320133081 | 0.233504876048089 | < 0.001 | 9.5833107162e-05 | 0.870999568292875 | 0.243051371704725 | 0.00474543936096 | 0.003886319024766 | < 0.001 | 0.000129078844503 | 0.783014467631936 | 0.354956018075121 | 0.001973175564923 | 0.005536419503481 | < 0.001 | 0.002442887104073 | 0.010569524573125 | 0.422795336908257 | 0.002370667025749 | 0.243370121051353 |  | 0.8119169 | 0.8051135 | 2.214349 | 0.7823915 | 1.402275 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5732 | 357.4
 |  |  |  | X - 12660 | LC/MS pos | 34265 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.28 | 1.54 | 1.51 | 1.41 | 1.2 | 1.17 | 1.1 | 0.98 | 0.91 | 0.94 |  | 0.375858143116592 | 0.113796973253376 | 0.095665883726313 | 0.039217728469393 | 0.083297757554664 | 0.037116830014503 | 0.370770678741784 | 0.126772157704276 | 0.355212357934705 | 0.347486992806404 | 0.305819320981562 | 0.192745279351371 | 0.962188904463737 | 0.443721344211506 | 0.914501367487766 | 0.813021908762779 | 0.421921508952054 | 0.779495724687071 | 0.374321526984098 | 0.648124983010399 |  | 0.7531367 | 0.9670482 | 1.162465 | 1.135576 | 1.061866 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5667 | 442.2
 |  |  |  | X - 12661 | LC/MS pos | 34266 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.16 | 0.62 | 0.83 | 1.06 | 3.81 | 5.09 | 6.49 | 1.34 | 1.7 | 1.27 |  | < 0.001 | 2.6491798e-08 | 0.03753763423092 | 0.018392458255277 | 0.161274852490348 | 0.064126873979789 | 0.755081406681784 | 0.210324940954419 | < 0.001 | 0.002025295256871 | < 0.001 | 1.15952174e-07 | < 0.001 | 1.32540923e-07 | 0.126289145886055 | 0.425756881999945 | 0.028600784127421 | 0.427129094864431 | 0.112991446642967 | 0.601914579254405 |  | 1.244933 | 0.2023125 | 0.7712073 | 1.030724 | 1.313674 |  | 100 | 50 | 87.5 | 100 | 100 |  | N/A | N/A |  | 3351 | 462
 |  |  |  | X - 12665 | LC/MS pos | 34270 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.14 | 1.41 | 2.05 | 2.19 | 9.8 | 14.27 | 15.2 | 1.46 | 1.55 | 1.07 |  | < 0.001 | 2.9062467253e-05 | 0.019341843705586 | 0.011381465486741 | < 0.001 | 0.000865141539908 | < 0.001 | 0.000149744908607 | < 0.001 | 4.155211159e-05 | < 0.001 | 3.756047182e-06 | < 0.001 | 5.509088979e-06 | 0.040438521996349 | 0.274852578607643 | 0.008652504001146 | 0.422795336908257 | 0.630647430753134 | 0.720457141735071 |  | 0.788568 | 0.113343 | 1.111127 | 1.617272 | 1.723127 |  | 100 | 87.5 | 100 | 100 | 100 |  | N/A | N/A |  | 2359 | 392.1
 |  |  |  | X - 12671 | LC/MS neg | 34276 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.45 | 0.73 | 0.73 | 0.84 | 1.64 | 1.63 | 1.89 | 1 | 1.15 | 1.16 |  | < 0.001 | 4.2366643835e-05 | 0.067823606800691 | 0.029578651836444 | 0.066375565070961 | 0.03084959096849 | 0.255398316090151 | 0.094918027037571 | 0.030660284732864 | 0.065961169280574 | 0.032925048539348 | 0.044146072162019 | 0.005563330274418 | 0.012212060959468 | 0.984344971300835 | 0.824242568548748 | 0.488732032468427 | 0.809931988517749 | 0.478244038591216 | 0.675652003511518 |  | 1.276556 | 0.5689576 | 0.9305559 | 0.926371 | 1.074051 |  | 100 | 62.5 | 87.5 | 75 | 87.5 |  | N/A | N/A |  | 5027 | 281.3
 |  |  |  | X - 12800 | LC/MS pos | 34483 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.72 | 0.75 | 0.69 | 0.7 | 1.04 | 0.96 | 0.97 | 0.92 | 0.93 | 1.01 |  | 0.002645453959615 | 0.002182083103495 | < 0.001 | 0.000176730191633 | 0.00291912370315 | 0.003057706685216 | 0.005668576382065 | 0.004455569745019 | 0.521535142886396 | 0.436532745267802 | 0.69643153910776 | 0.33243377290481 | 0.731678869153579 | 0.379503272656306 | 0.308909449911122 | 0.578555341097162 | 0.366138551577063 | 0.756659457016192 | 0.982237236501512 | 0.80315509384266 |  | 1.303176 | 0.9360357 | 0.9728856 | 0.8983043 | 0.9060013 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2263 | 417.3
 |  |  |  | X - 12854 | LC/MS pos | 34538 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.44 | 1.09 | 0.9 | 1.11 | 0.76 | 0.62 | 0.77 | 0.82 | 1.02 | 1.24 |  | 0.011316585819657 | 0.006679663809693 | 0.453334719703001 | 0.130874786129574 | 0.169289696131753 | 0.066188752936152 | 0.55069024159328 | 0.168273716097635 | 0.051903217498241 | 0.08936156507474 | 0.002026236699675 | 0.004739286516945 | 0.087014738106404 | 0.090871837086675 | 0.075831447802887 | 0.344281816983426 | 0.996971058115849 | 0.941853848113005 | 0.152767300962119 | 0.601914579254405 |  | 0.9562355 | 1.372414 | 1.038683 | 0.8567978 | 1.058747 |  | 100 | 100 | 100 | 75 | 87.5 |  | N/A | N/A |  | 1380 | 405.2
 |  |  |  | X - 12855 | LC/MS pos | 34539 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.78 | 0.78 | 0.96 | 1.1 | 0.99 | 1.23 | 1.41 | 1.24 | 1.42 | 1.15 |  | 0.122050788916542 | 0.046464318091217 | 0.112246039074637 | 0.044530332000078 | 0.756204598629513 | 0.217504183081432 | 0.607201738826097 | 0.180140171861701 | 0.963127251723625 | 0.610222161247921 | 0.199727360160884 | 0.144986803612415 | 0.056711246328832 | 0.067383641016284 | 0.184793394537374 | 0.480068647153936 | 0.05201221559869 | 0.470637999673923 | 0.421969784427403 | 0.674225107306227 |  | 1.162858 | 0.9086633 | 0.9020548 | 1.11427 | 1.276732 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1404 | 248.2
 |  |  |  | X - 12860 | LC/MS pos | 34544 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.82 | 1 | 0.71 | 1.04 | 1.21 | 0.86 | 1.27 | 0.71 | 1.05 | 1.47 |  | 0.293542224666336 | 0.093308164075494 | 0.958286508978686 | 0.227077768900034 | 0.065277143880969 | 0.030541334612229 | 0.803319643629446 | 0.221505850773047 | 0.322141521268252 | 0.333502879041694 | 0.384845125365981 | 0.225661171674742 | 0.184830786107264 | 0.148428625690823 | 0.07536644649735 | 0.344281816983426 | 0.76366748360115 | 0.901950366284153 | 0.032934842177319 | 0.534064839509611 |  | 1.111262 | 0.9134234 | 1.106618 | 0.7877491 | 1.157023 |  | 100 | 87.5 | 100 | 50 | 87.5 |  | N/A | N/A |  | 2264 | 276.2
 |  |  |  | X - 12896 | LC/MS neg | 34580 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.03 | 1.22 | 1.23 | 1.22 | 1.19 | 1.2 | 1.19 | 1.01 | 1 | 0.99 |  | 0.587338126684604 | 0.164295640261187 | 0.1951925125563 | 0.06998671941078 | 0.368117037372895 | 0.126331232120584 | 0.194804637218014 | 0.075474992230591 | 0.263731825299258 | 0.293151411217188 | 0.601747220917415 | 0.302023772377603 | 0.266403360931359 | 0.190896379694902 | 0.717758503993545 | 0.779547983362194 | 0.980803403131814 | 0.941853848113005 | 0.710301693523725 | 0.729165073473675 |  | 0.9859579 | 1.012279 | 1.200175 | 1.212656 | 1.204101 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1541 | 535.3
 |  |  |  | X - 12953 | LC/MS pos | 34637 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.91 | 0.83 | 0.76 | 0.79 | 0.91 | 0.83 | 0.86 | 0.91 | 0.95 | 1.04 |  | 0.38898975474237 | 0.116947265410212 | 0.087714616978515 | 0.036444069193085 | 0.019735140388777 | 0.012256879112697 | 0.036015769537735 | 0.018791274223725 | 0.406666508513253 | 0.375476618252134 | 0.109046854792231 | 0.095249213587539 | 0.189884035409186 | 0.151962635642163 | 0.340837901548386 | 0.593510966667895 | 0.552965644109721 | 0.839573081001922 | 0.710794095347235 | 0.729165073473675 |  | 1.170692 | 1.068609 | 0.975458 | 0.8896803 | 0.9223506 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1536 | 388.2
 |  |  |  | X - 12986 | LC/MS pos | 34670 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.34 | 0.41 | 0.26 | 0.24 | 1.2 | 0.76 | 0.71 | 0.63 | 0.59 | 0.94 |  | < 0.001 | 0.000152874409646 | < 0.001 | 0.000362285858953 | < 0.001 | 1.0545962878e-05 | < 0.001 | 2.916652677e-06 | 0.345563167877701 | 0.343171388769828 | 0.335427662661115 | 0.20706647689972 | 0.227875421252785 | 0.171743519546605 | 0.044720409877551 | 0.294457101404682 | 0.020874253198873 | 0.422795336908257 | 0.828453402460473 | 0.78025810222401 |  | 2.994271 | 1.024178 | 1.227375 | 0.7772962 | 0.7273214 |  | 100 | 87.5 | 100 | 50 | 62.5 |  | N/A | N/A |  | 3856 | 464
 |  |  |  | X - 12991 | GC/MS | 34675 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.45 | 1.48 | 1.39 | 1.47 | 1.02 | 0.96 | 1.01 | 0.94 | 0.99 | 1.05 |  | 0.034467014326896 | 0.016622506675171 | 0.019579711123351 | 0.011466571608171 | 0.044817584355809 | 0.023560543517818 | 0.099573176352013 | 0.04309568321365 | 0.779884116073241 | 0.5490246832002 | 0.785769492092238 | 0.354956018075121 | 0.817803666798826 | 0.405670143425488 | 0.535837638028896 | 0.714566027037165 | 0.661405656648481 | 0.870747975747549 | 0.966665679769711 | 0.80315509384266 |  | 0.7457129 | 1.08106 | 1.101718 | 1.039612 | 1.094158 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1709 | 146
 |  |  |  | X - 12992 | LC/MS pos | 34676 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.61 | 0.58 | 0.64 | 0.55 | 0.96 | 1.06 | 0.9 | 1.11 | 0.94 | 0.85 |  | < 0.001 | 0.000167472564298 | < 0.001 | 0.000133514604131 | < 0.001 | 0.00055059539984 | < 0.001 | 6.698933626e-05 | 0.539802967536514 | 0.44477548399843 | 0.370247258175671 | 0.220895897577742 | 0.190764725234551 | 0.152144610769834 | 0.151551082819985 | 0.436336309713538 | 0.48698225969279 | 0.809931988517749 | 0.038889076654417 | 0.534064839509611 |  | 1.59831 | 0.9706667 | 0.9272463 | 1.025307 | 0.872708 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1480 | 429
 |  |  |  | X - 13007 | LC/MS neg | 34692 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.22 | 0.35 | 0.35 | 0.4 | 1.59 | 1.61 | 1.85 | 1.02 | 1.17 | 1.15 |  | < 0.001 | 0.000217215719242 | < 0.001 | 0.000149706760002 | < 0.001 | 0.000275515168068 | < 0.001 | 0.000134144076629 | 0.079932857434144 | 0.125639668205408 | 0.081125088222253 | 0.080175352132597 | 0.020849277395281 | 0.032807311769852 | 0.983508325817067 | 0.824242568548748 | 0.312100202774034 | 0.747154107377373 | 0.342592500873801 | 0.64753662645539 |  | 2.807565 | 0.6128329 | 0.9721266 | 0.9870732 | 1.133024 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4584 | 329.3
 |  |  |  | X - 13073 | LC/MS neg | 34765 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.05 | 0.23 | 0.18 | 0.23 | 4.42 | 3.5 | 4.4 | 0.79 | 1 | 1.26 |  | < 0.001 | 1.518064e-09 | < 0.001 | 5.215961515e-06 | < 0.001 | 3.04716328e-06 | < 0.001 | 1.0611281519e-05 | < 0.001 | 6.801936349e-06 | < 0.001 | 2.148135658e-05 | < 0.001 | 1.7830806805e-05 | 0.069761285451316 | 0.339190092841548 | 0.655516329997256 | 0.870747975747549 | 0.298690007414328 | 0.641760721737393 |  | 4.223814 | 0.2206833 | 0.9750224 | 0.7719467 | 0.9720626 |  | 100 | 37.5 | 100 | 100 | 100 |  | N/A | N/A |  | 5182 | 293.3
 |  |  |  | X - 13084 | LC/MS neg | 34776 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.78 | 0.77 | 0.75 | 0.65 | 0.99 | 0.96 | 0.83 | 0.97 | 0.84 | 0.87 |  | 0.077906437528547 | 0.032233586746067 | 0.084635050760209 | 0.035403771645821 | 0.046642788511464 | 0.024069314646068 | 0.004577140703437 | 0.003793925603564 | 0.810421117300013 | 0.563015323300313 | 0.651485622485793 | 0.318194642450617 | 0.054194874108228 | 0.0647239411014 | 0.892812040888718 | 0.808646095851868 | 0.195057873308063 | 0.621446032163382 | 0.16614987618575 | 0.601914579254405 |  | 1.315085 | 1.02794 | 1.014541 | 0.9882221 | 0.8569542 |  | 100 | 100 | 87.5 | 100 | 100 |  | N/A | N/A |  | 760 | 337.2
 |  |  |  | X - 13149 | LC/MS neg | 34841 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.6 | 0.94 | 1.35 | 1.18 | 0.59 | 0.84 | 0.74 | 1.43 | 1.26 | 0.88 |  | 0.065266620306915 | 0.027716869236616 | 0.743937024987179 | 0.190608181750968 | 0.117462272724198 | 0.049215478766038 | 0.285061417399519 | 0.103688140686952 | 0.039387370477943 | 0.077985042656324 | 0.580799630697846 | 0.29460731919817 | 0.246689979802712 | 0.182962975673795 | 0.069523000980207 | 0.339190092841548 | 0.171347853295092 | 0.580428362557701 | 0.472341218440375 | 0.675652003511518 |  | 0.9090797 | 1.453011 | 0.8577239 | 1.226942 | 1.076617 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 6333 | 311.3
 |  |  |  | X - 13176 1 eicosapentaenoylglycerophosphoethanolamine | LC/MS pos | 34868 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.42 | 4.36 | 4.24 | 4.34 | 10.29 | 10.01 | 10.25 | 0.97 | 1 | 1.02 |  | 0.086565731721341 | 0.034809012522811 | < 0.001 | 0.000425444294719 | < 0.001 | 0.00055059539984 | 0.007090806122824 | 0.005240011832434 | < 0.001 | 1.7058112772e-05 | < 0.001 | 1.589158161e-06 | < 0.001 | 0.002710481710824 | 0.999209113389464 | 0.828874741346853 | 0.526024846509975 | 0.821515998572421 | 0.516850061931791 | 0.69370762442494 |  | 0.2376164 | 0.1006383 | 1.035292 | 1.007177 | 1.031642 |  | 37.5 | 0 | 100 | 100 | 100 |  | N/A | N/A |  | 5448 | 500.1
 |  |  |  | X - 13215 | LC/MS neg | 34912 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.94 | 0.93 | 0.99 | 0.94 | 0.98 | 1.05 | 0.99 | 1.06 | 1.01 | 0.95 |  | 0.729582744800147 | 0.193965669386818 | 0.6957209873817 | 0.182047135194769 | 0.770385395305116 | 0.220936740985994 | 0.718952125876518 | 0.204268441162329 | 0.969603844162788 | 0.611436707230751 | 0.997143241869139 | 0.409970763373224 | 0.999309323521996 | 0.453653146922506 | 0.977797966619955 | 0.824242568548748 | 0.967476982737167 | 0.941853848113005 | 0.996493331347761 | 0.80550339431835 |  | 1.175503 | 1.107397 | 1.089676 | 1.159317 | 1.10096 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5179 | 149.2
 |  |  |  | X - 13230 | LC/MS neg | 34927 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.43 | 1.14 | 1.29 | 1.31 | 0.8 | 0.9 | 0.92 | 1.13 | 1.15 | 1.02 |  | 0.089237859592695 | 0.035589783995013 | 0.397269725633397 | 0.120338900498151 | 0.201433492185186 | 0.077461684906556 | 0.196886259883617 | 0.075638673286195 | 0.244612182162655 | 0.280662535285537 | 0.563361777153139 | 0.287145902545355 | 0.615241666267541 | 0.351177700040546 | 0.561714840754898 | 0.730578890301273 | 0.541166059020548 | 0.832336986102792 | 0.958572660821464 | 0.80315509384266 |  | 0.8742242 | 1.252479 | 0.9997493 | 1.126672 | 1.146104 |  | 87.5 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 674 | 161
 |  |  |  | X - 13387 | LC/MS pos | 35087 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.4 | 0.29 | 0.48 | 0.34 | 0.72 | 1.2 | 0.85 | 1.66 | 1.17 | 0.71 |  | 0.005059359638287 | 0.00361675194621 | < 0.001 | 0.000423812005047 | 0.010466638351535 | 0.007941153882714 | 0.001062172918411 | 0.001210577143254 | 0.328215932812346 | 0.335627937264977 | 0.544497308185634 | 0.281622030376122 | 0.643629631243494 | 0.358052647799538 | 0.094300482493582 | 0.375000347524276 | 0.580659450154756 | 0.855078147985497 | 0.258467559630115 | 0.634836138201308 |  | 2.54536 | 1.018827 | 0.7361023 | 1.222545 | 0.8631482 |  | 100 | 87.5 | 87.5 | 100 | 100 |  | N/A | N/A |  | 3151 | 778.2
 |  |  |  | X - 13404 | LC/MS pos | 35113 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 3.03 | 1.03 | 1.39 | 1.02 | 0.34 | 0.46 | 0.34 | 1.35 | 1 | 0.74 |  | 0.011463799672533 | 0.006735659901679 | 0.427944248011526 | 0.125909214321331 | 0.222652668798934 | 0.083561153152381 | 0.75265426695175 | 0.210247359196369 | 0.011518226757958 | 0.036007498067461 | 0.068214602683891 | 0.071778647771828 | 0.012760673239869 | 0.023036963340608 | 0.433891016891596 | 0.660080831165473 | 0.620142416380899 | 0.863866642340944 | 0.311823045121723 | 0.641760721737393 |  | 0.6790217 | 2.057294 | 0.6964204 | 0.9421328 | 0.6935329 |  | 75 | 100 | 100 | 87.5 | 75 |  | N/A | N/A |  | 2894 | 770.9
 |  |  |  | X - 13409 | LC/MS pos | 35124 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.05 | 0.91 | 1.35 | 0.94 | 0.44 | 0.66 | 0.46 | 1.48 | 1.03 | 0.69 |  | 0.046823071037275 | 0.021365175455155 | 0.96965917967 | 0.228770183214006 | 0.380133624800347 | 0.1287364202963 | 0.979102448418336 | 0.26001559656792 | 0.029555331162441 | 0.064571687504453 | 0.213489942622231 | 0.150808719982192 | 0.033498084710034 | 0.046713763632898 | 0.315382196917073 | 0.580360602673086 | 0.937652818126646 | 0.941853848113005 | 0.326212762508743 | 0.641760721737393 |  | 0.8889233 | 1.824408 | 0.8094586 | 1.201841 | 0.8324266 |  | 75 | 100 | 100 | 87.5 | 75 |  | N/A | N/A |  | 2897 | 792.3
 |  |  |  | X - 13411 | LC/MS neg | 35134 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.86 | 0.92 | 0.86 | 0.9 | 1.07 | 1 | 1.04 | 0.93 | 0.98 | 1.05 |  | 0.104964303454953 | 0.041052669918541 | 0.368780449647214 | 0.113954484209691 | 0.120297274705035 | 0.050104185839838 | 0.268973908792606 | 0.098888481026349 | 0.490030951531134 | 0.417306241884422 | 0.891328482841772 | 0.38213920001175 | 0.667386479293031 | 0.365704098436324 | 0.462464466140701 | 0.681652329955189 | 0.816922194186334 | 0.920759126473464 | 0.613294470065152 | 0.710277323222947 |  | 1.004071 | 0.8679672 | 0.9251224 | 0.8638533 | 0.9060859 |  | 87.5 | 75 | 75 | 62.5 | 62.5 |  | N/A | N/A |  | 3216 | 743.4
 |  |  |  | X - 13414 | LC/MS pos | 35140 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.71 | 0.81 | 0.72 | 0.75 | 1.13 | 1 | 1.06 | 0.89 | 0.93 | 1.05 |  | 0.045468121654133 | 0.020970002739102 | 0.151573115292537 | 0.05735686663364 | 0.030544210739645 | 0.017570624714089 | 0.038636914532715 | 0.019791087889046 | 0.394797996299651 | 0.370026261771514 | 0.865893114015204 | 0.375826885288995 | 0.464202907621987 | 0.28751556788538 | 0.420936091264925 | 0.654550417727912 | 0.728950919920843 | 0.891514237383316 | 0.490361038237351 | 0.684897082014454 |  | 1.313242 | 0.9364518 | 1.061564 | 0.9405833 | 0.9881532 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2999 | 745.4
 |  |  |  | X - 13418 | LC/MS pos | 35148 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.38 | 0.32 | 0.45 | 0.32 | 0.85 | 1.16 | 0.83 | 1.38 | 0.99 | 0.72 |  | 0.002541817515934 | 0.002110125797991 | < 0.001 | 0.000141526535352 | 0.001656964454721 | 0.001906344927139 | < 0.001 | 0.000134144076629 | 0.783225937407241 | 0.550154700565365 | 0.409444716612571 | 0.232320032196844 | 0.727495554897331 | 0.379503272656306 | 0.124808273148112 | 0.425756881999945 | 0.909361537862387 | 0.941853848113005 | 0.104754048147163 | 0.601914579254405 |  | 2.519108 | 0.9657899 | 0.8164604 | 1.122886 | 0.8061017 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 3181 | 759.2
 |  |  |  | X - 13420 | LC/MS pos | 35152 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.54 | 0.4 | 0.49 | 0.35 | 0.73 | 0.9 | 0.65 | 1.23 | 0.88 | 0.72 |  | 0.595501290605285 | 0.166217772811556 | 0.868852929159322 | 0.210463034951844 | 0.737986248344708 | 0.214018358797036 | 0.670829186000098 | 0.19603995215188 | 0.207441166353006 | 0.249293605120727 | 0.634247567617635 | 0.312677213301345 | 0.106328340392936 | 0.106618740262988 | 0.363051032114359 | 0.607104380139993 | 0.677333611619204 | 0.884445181299594 | 0.192215930039562 | 0.601914579254405 |  | 2.077494 | 1.13157 | 0.8312372 | 1.019212 | 0.7353484 |  | 50 | 100 | 87.5 | 100 | 62.5 |  | N/A | N/A |  | 4125 | 769.2
 |  |  |  | X - 13496 | GC/MS | 35270 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.53 | 0.57 | 0.59 | 0.49 | 1.06 | 1.1 | 0.92 | 1.03 | 0.87 | 0.84 |  | < 0.001 | 1.0897227118e-05 | < 0.001 | 6.949748864e-06 | < 0.001 | 0.000232393581578 | < 0.001 | 3.7949393436e-05 | 0.444840910532703 | 0.395627483239705 | 0.396672828053405 | 0.229579272531908 | 0.38770739662273 | 0.250114136119155 | 0.815638958081714 | 0.799404399085483 | 0.126742554328783 | 0.54815393685684 | 0.129703987477331 | 0.601914579254405 |  | 1.731039 | 0.9228011 | 0.9812451 | 1.013971 | 0.8492295 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2103.4 | 372.2
 |  |  |  | X - 13502 | LC/MS pos | 35276 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.63 | 0.4 | 0.52 | 0.4 | 0.64 | 0.82 | 0.64 | 1.29 | 1 | 0.78 |  | 0.069387073332474 | 0.029177818638171 | 0.001121306905989 | 0.001199149301635 | 0.010631171941647 | 0.008022621807769 | 0.001187729894369 | 0.001316686044757 | 0.013215727862284 | 0.038765165305284 | 0.274719420862022 | 0.180572996467079 | 0.023787834179632 | 0.035740823751904 | 0.092276766682297 | 0.375000347524276 | 0.740187517870115 | 0.89325974916493 | 0.125589757621542 | 0.601914579254405 |  | 1.885773 | 1.190548 | 0.7632187 | 0.9807936 | 0.7620005 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 874 | 306.1
 |  |  |  | X - 13543 | LC/MS pos | 35321 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.62 | 1.58 | 1.1 | 1.39 | 0.6 | 0.42 | 0.53 | 0.7 | 0.88 | 1.26 |  | 0.001110197446189 | 0.001042738320189 | 0.156978183453214 | 0.058679986258953 | 0.656227507117189 | 0.197267636652644 | 0.04419498070353 | 0.022142977574249 | 0.070516682492577 | 0.115746767738001 | 0.002769669746737 | 0.005954381169024 | 0.018102195660855 | 0.029688227130841 | 0.279394752866292 | 0.566187099307972 | 0.913213894449725 | 0.941853848113005 | 0.15059620745934 | 0.601914579254405 |  | 0.6764961 | 1.775669 | 1.069642 | 0.7446462 | 0.9396461 |  | 62.5 | 100 | 75 | 75 | 100 |  | N/A | N/A |  | 1096 | 484.1
 |  |  |  | X - 13555 | LC/MS neg | 35333 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.06 | 1.78 | 2.16 | 1.75 | 0.87 | 1.05 | 0.85 | 1.21 | 0.98 | 0.81 |  | 0.016129140718906 | 0.008601324361941 | 0.01685477967379 | 0.010013809762263 | 0.016174585361283 | 0.010824002452691 | 0.005710805545946 | 0.004463112308948 | 0.674501085602121 | 0.505145623027514 | 0.898438689124246 | 0.384404656727927 | 0.692086464248298 | 0.371719640173769 | 0.588303442055498 | 0.754993671568465 | 0.95018666764033 | 0.941853848113005 | 0.599406408497577 | 0.702558323479561 |  | 0.4553916 | 0.9376596 | 0.8119367 | 0.9837631 | 0.7975012 |  | 0 | 75 | 62.5 | 62.5 | 75 |  | N/A | N/A |  | 1543 | 258
 |  |  |  | X - 13557 | LC/MS neg | 35335 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.55 | 1.74 | 2.47 | 2.64 | 3.18 | 4.53 | 4.83 | 1.42 | 1.52 | 1.07 |  | 0.006289625219925 | 0.004259580636223 | 0.003596373874369 | 0.002976716111462 | < 0.001 | 0.0001053002818 | < 0.001 | 5.761483195e-05 | < 0.001 | 0.000795798407766 | < 0.001 | 5.3002185491e-05 | < 0.001 | 3.7854541381e-05 | 0.047621030029989 | 0.303198415493412 | 0.022713161166983 | 0.422795336908257 | 0.686155616143455 | 0.729165073473675 |  | 0.7268761 | 0.3973961 | 1.264702 | 1.798511 | 1.918528 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 3611 | 252
 |  |  |  | X - 13560 | LC/MS neg | 35338 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.15 | 2.08 | 1.36 | 1.44 | 1.8 | 1.18 | 1.25 | 0.65 | 0.69 | 1.06 |  | 0.519106813710988 | 0.147779424767194 | 0.006721499369763 | 0.004750764649858 | 0.363861875716575 | 0.125176992397272 | 0.091206605868742 | 0.040631832587673 | 0.027459345425559 | 0.061645306120041 | 0.698820714959707 | 0.332574657044877 | 0.310519989532893 | 0.212068682089771 | 0.108641850473955 | 0.39176656493535 | 0.150245430542551 | 0.569851795642191 | 0.650074740580386 | 0.725874937757349 |  | 0.79537 | 0.9150669 | 1.650701 | 1.078891 | 1.141459 |  | 100 | 87.5 | 100 | 100 | 100 |  | N/A | N/A |  | 5220 | 367.3
 |  |  |  | X - 13709 | LC/MS pos | 35518 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 4.71 | 6.3 | 7.5 | 7.11 | 1.34 | 1.59 | 1.51 | 1.19 | 1.13 | 0.95 |  | < 0.001 | 1.0897227118e-05 | < 0.001 | 1.96047e-10 | < 0.001 | 9.14151e-10 | < 0.001 | 4.722155761e-06 | 0.04355617831371 | 0.084135683596625 | 0.007449420124352 | 0.014230176447832 | 0.050354205695702 | 0.061832214752118 | 0.105010317779473 | 0.389918676517815 | 0.658237029342105 | 0.870747975747549 | 0.551159229280108 | 0.698535954001081 |  | 0.16832 | 0.7935371 | 1.061125 | 1.261615 | 1.196752 |  | 62.5 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1938 | 302.1
 |  |  |  | X - 13743 | LC/MS pos | 35553 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.81 | 1.14 | 0.88 | 1.14 | 1.41 | 1.08 | 1.4 | 0.77 | 1 | 1.3 |  | 0.190288578735946 | 0.065912992483937 | 0.37862987141922 | 0.116413000977975 | 0.466874962158388 | 0.151342467111465 | 0.385017882250805 | 0.130257662048944 | 0.022852745732755 | 0.055791101802632 | 0.282878892413182 | 0.184358564540257 | 0.022931008205797 | 0.035133459471044 | 0.071407387547479 | 0.339977581134521 | 0.987060620538208 | 0.941853848113005 | 0.072174472043583 | 0.601914579254405 |  | 1.085936 | 0.8810948 | 1.241264 | 0.9554389 | 1.237533 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2363 | 276.2
 |  |  |  | X - 13819 | LC/MS neg | 35646 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.26 | 0.31 | 0.32 | 0.37 | 1.19 | 1.23 | 1.43 | 1.03 | 1.2 | 1.16 |  | 0.005682964018388 | 0.003952745519549 | 0.010618446902482 | 0.007020930237878 | 0.012500676924091 | 0.008906671334771 | 0.026744176363819 | 0.014868686752248 | 0.297084137055123 | 0.319283158490909 | 0.21120049516147 | 0.150199510875937 | 0.08690688184069 | 0.090871837086675 | 0.852745726465824 | 0.799475044382777 | 0.405144277710298 | 0.777573687280191 | 0.501689826061588 | 0.689525354423654 |  | 1.792171 | 0.4639745 | 0.5538489 | 0.5721754 | 0.664701 |  | 75 | 12.5 | 37.5 | 37.5 | 50 |  | N/A | N/A |  | 4636 | 327.3
 |  |  |  | X - 13859 | LC/MS neg | 35754 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.35 | 1.47 | 1.27 | 1.35 | 1.09 | 0.94 | 1 | 0.86 | 0.92 | 1.06 |  | < 0.001 | 0.000121205935553 | < 0.001 | 0.000117973501925 | 0.005693452564556 | 0.004963613445939 | < 0.001 | 0.000237558518184 | 0.201453773740879 | 0.244517084340205 | 0.29079350103529 | 0.187198446755023 | 0.96025051126598 | 0.443706064080468 | 0.070027106230777 | 0.339190092841548 | 0.224772725012433 | 0.675581393708759 | 0.339078203643762 | 0.64753662645539 |  | 0.7471506 | 1.011865 | 1.100217 | 0.9505169 | 1.011736 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 721 | 286.1
 |  |  |  | X - 13872 | LC/MS neg | 35767 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.52 | 1.63 | 1.41 | 1.47 | 1.07 | 0.93 | 0.97 | 0.87 | 0.9 | 1.04 |  | 0.014948655576473 | 0.00815052924114 | 0.008395177635235 | 0.005636659231607 | 0.049904637259164 | 0.025127689675802 | 0.024539784474638 | 0.014042723178018 | 0.483373993083308 | 0.41564239641269 | 0.392623383122008 | 0.228407953917446 | 0.658975959062261 | 0.363662461060178 | 0.199371447407813 | 0.487285238909912 | 0.325328306777727 | 0.747154107377373 | 0.654043803487667 | 0.725874937757349 |  | 0.7060696 | 1.071743 | 1.149541 | 0.99528 | 1.039502 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5125 | 339.2
 |  |  |  | X - 14092 prolylglutamate | LC/MS pos | 36016 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.05 | 1.27 | 1.05 | 1.12 | 1.21 | 1.01 | 1.07 | 0.83 | 0.89 | 1.07 |  | 0.75746585642227 | 0.198649825813029 | 0.044551881026211 | 0.021073627514404 | 0.892108455384586 | 0.246977743290954 | 0.334574492701261 | 0.118009601019883 | 0.139720924297334 | 0.19161247419037 | 0.921544277775352 | 0.391776937584465 | 0.580958254231551 | 0.338241030510644 | 0.169638886394287 | 0.453379534018206 | 0.343394928920559 | 0.754983710123564 | 0.565399330350301 | 0.700403608036641 |  | 0.9398377 | 0.9858519 | 1.191356 | 0.9912674 | 1.056706 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 970 | 245.2
 |  |  |  | X - 14567 | LC/MS neg | 36494 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1 | 0.92 | 0.91 | 1.1 | 0.92 | 0.91 | 1.1 | 0.98 | 1.19 | 1.21 |  | 0.895249887915834 | 0.225875837768409 | 0.708365881982826 | 0.184570478930161 | 0.621052003558506 | 0.189916808464513 | 0.76130355530581 | 0.211627083467205 | 0.839327708986151 | 0.575524603004793 | 0.749161280069622 | 0.345882310708445 | 0.691410427693746 | 0.371719640173769 | 0.890354191829971 | 0.808646095851868 | 0.522160398228185 | 0.821515998572421 | 0.458978925687441 | 0.675652003511518 |  | 1.23339 | 1.234113 | 1.137952 | 1.118781 | 1.354267 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5924 | 219.3
 |  |  |  | X - 14619 | LC/MS pos | 36546 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.64 | 1.16 | 1.33 | 1.06 | 1.81 | 2.09 | 1.66 | 1.15 | 0.92 | 0.8 |  | 0.088774848065405 | 0.035586115373252 | 0.409604214483643 | 0.122268279979913 | 0.386592552634124 | 0.129815133242076 | 0.989286590741073 | 0.26110541948405 | 0.0313098684794 | 0.066263818623037 | 0.034142338839603 | 0.044640874063917 | 0.118204077428928 | 0.111902220444967 | 0.813269683373196 | 0.799404399085483 | 0.523060412280424 | 0.821515998572421 | 0.462119302316367 | 0.675652003511518 |  | 1.102527 | 0.704842 | 1.27508 | 1.470316 | 1.172951 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 849 | 160.2
 |  |  |  | X - 14625 | LC/MS neg | 36552 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.65 | 0.72 | 0.72 | 0.66 | 1.12 | 1.12 | 1.02 | 1 | 0.91 | 0.91 |  | 0.002081114674719 | 0.001761765498783 | 0.020222917644733 | 0.011601345820756 | 0.024199442263489 | 0.014515687870274 | 0.001831208891557 | 0.001828082590933 | 0.542286717758917 | 0.44477548399843 | 0.595825345413731 | 0.301502515697202 | 0.869270471137591 | 0.417402015694416 | 0.958876143049058 | 0.824242568548748 | 0.631138937422392 | 0.863866642340944 | 0.686619496998505 | 0.729165073473675 |  | 1.201032 | 0.7757217 | 0.8685139 | 0.8682002 | 0.7907268 |  | 100 | 87.5 | 75 | 75 | 87.5 |  | N/A | N/A |  | 742 | 308.1
 |  |  |  | X - 14629 | LC/MS neg | 36556 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.2 | 0.83 | 1.07 | 0.97 | 0.69 | 0.89 | 0.8 | 1.29 | 1.17 | 0.9 |  | 0.219517335073181 | 0.073177436955837 | 0.162277003157371 | 0.060294206957143 | 0.526598442039681 | 0.166702140547316 | 0.699399248524828 | 0.201883886091954 | 0.024017607097507 | 0.056780504406603 | 0.464365873883217 | 0.251290454666009 | 0.177824617979754 | 0.145817483802713 | 0.055833849621341 | 0.326547937956604 | 0.408551816500144 | 0.779223589639099 | 0.381404362685179 | 0.648124983010399 |  | 1.011853 | 1.21833 | 0.8391725 | 1.086687 | 0.9787723 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4565 | 296.8
 |  |  |  | X - 14837 | LC/MS pos | 36854 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.59 | 1.14 | 1.52 | 1.2 | 0.72 | 0.95 | 0.75 | 1.33 | 1.05 | 0.79 |  | < 0.001 | 0.000654410351786 | 0.333399109843433 | 0.104598383108959 | 0.037758538097527 | 0.020702525475838 | 0.388676275556938 | 0.130257662048944 | 0.011593613262396 | 0.036007498067461 | 0.562911763418654 | 0.287145902545355 | 0.048549019377487 | 0.060461679838519 | 0.156156184546913 | 0.436336309713538 | 0.932242599043935 | 0.941853848113005 | 0.231241660739957 | 0.601914579254405 |  | 0.8491327 | 1.3541 | 0.970607 | 1.289071 | 1.019607 |  | 100 | 100 | 100 | 100 | 87.5 |  | N/A | N/A |  | 1497 | 233.1
 |  |  |  | X - 14839 | LC/MS pos | 36860 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.34 | 0.37 | 0.48 | 0.37 | 1.06 | 1.4 | 1.06 | 1.32 | 1 | 0.76 |  | 0.001103411256432 | 0.001042738320189 | 0.002103775633639 | 0.001975034686649 | 0.011072438069254 | 0.008222986503026 | 0.002045344012066 | 0.001946570949978 | 0.932125770471513 | 0.603054310757096 | 0.357522436712317 | 0.216266551420658 | 0.936676335563588 | 0.43714987264687 | 0.418343223345382 | 0.654550417727912 | 0.995496008542427 | 0.941853848113005 | 0.414592774193801 | 0.671618851200877 |  | 1.65056 | 0.568213 | 0.6039677 | 0.7966746 | 0.6028127 |  | 100 | 50 | 50 | 75 | 62.5 |  | N/A | N/A |  | 1919 | 144.2
 |  |  |  | X - 15124 | LC/MS pos | 37265 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.65 | 0.8 | 0.71 | 0.51 | 1.24 | 1.1 | 0.79 | 0.89 | 0.63 | 0.71 |  | 0.010531480144021 | 0.006422478145615 | 0.100703172080874 | 0.041009342854103 | 0.05125201927218 | 0.02564598991212 | 0.005416563193471 | 0.004354901177199 | 0.194380658819941 | 0.240540047889942 | 0.699935643746449 | 0.332574657044877 | 0.258651959143197 | 0.188749287254988 | 0.438787472643669 | 0.665128650228751 | 0.040005604205051 | 0.46182390860505 | 0.172786205483141 | 0.601914579254405 |  | 1.399829 | 0.9052172 | 1.126401 | 1.000046 | 0.7140279 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1776 | 300
 |  |  |  | X - 15136 | LC/MS pos | 37277 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.74 | 0.92 | 0.91 | 0.88 | 1.24 | 1.22 | 1.19 | 0.98 | 0.96 | 0.97 |  | 0.006378908469393 | 0.004297428705202 | 0.383595120634922 | 0.117061647076676 | 0.281565401350494 | 0.102385888841841 | 0.15960653100406 | 0.063826795978223 | 0.02729414541478 | 0.061645306120041 | 0.022342044175646 | 0.03243547044479 | 0.034741863684103 | 0.047783983470801 | 0.890854963785907 | 0.808646095851868 | 0.624605244413919 | 0.863866642340944 | 0.681060935222465 | 0.729165073473675 |  | 1.110741 | 0.8260993 | 1.02237 | 1.006908 | 0.9801021 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4063 | 243.1
 |  |  |  | X - 15197 | LC/MS pos | 37338 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.32 | 1.52 | 1.19 | 0.84 | 1.15 | 0.9 | 0.64 | 0.78 | 0.55 | 0.71 |  | 0.089337171326531 | 0.035589783995013 | 0.221047686950111 | 0.077011905935328 | 0.54527518381009 | 0.171592062535161 | 0.066085638021456 | 0.031492249394938 | 0.898178740435954 | 0.596511335347671 | 0.450720756064764 | 0.24708229760538 | 0.009664148821193 | 0.019073173327404 | 0.489062967890622 | 0.689270706994713 | 0.058980744666187 | 0.470637999673923 | 0.112792627885521 | 0.601914579254405 |  | 0.9520202 | 1.253963 | 1.444621 | 1.13354 | 0.8000264 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1788 | 323.3
 |  |  |  | X - 15222 | LC/MS neg | 37364 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.92 | 1.15 | 1 | 1.15 | 1.25 | 1.09 | 1.25 | 0.87 | 1 | 1.15 |  | 0.624625621976362 | 0.17220606740084 | 0.240640505494426 | 0.081528360409033 | 0.96960569101035 | 0.262226102345887 | 0.360738246323671 | 0.124384796990814 | 0.07545205382531 | 0.120513750038095 | 0.671746784501755 | 0.325073551966213 | 0.147417839102338 | 0.129552417209961 | 0.255974978094721 | 0.54205164827446 | 0.855059407004177 | 0.937287998980701 | 0.366479179806013 | 0.648124983010399 |  | 1.037317 | 0.9513046 | 1.190054 | 1.036673 | 1.188453 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5138 | 211.2
 |  |  |  | X - 15255 | LC/MS pos | 37397 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.01 | 1.06 | 1.43 | 1.13 | 1.05 | 1.42 | 1.12 | 1.35 | 1.06 | 0.79 |  | 0.795314125033198 | 0.205496784240951 | 0.442125119081887 | 0.128634502651803 | 0.044655451581583 | 0.023560543517818 | 0.34179838632468 | 0.119556100709809 | 0.543347279987233 | 0.44477548399843 | 0.033159023798078 | 0.044164045425146 | 0.405838182368388 | 0.260368015402183 | 0.03402021467095 | 0.250904390606547 | 0.692057324562455 | 0.885311757309551 | 0.11047589928984 | 0.601914579254405 |  | 0.9327012 | 0.9420544 | 0.9880001 | 1.334716 | 1.051132 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1267 | 250.1
 |  |  |  | X - 15301 | LC/MS neg | 37548 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.18 | 1.64 | 1.48 | 1.44 | 1.39 | 1.26 | 1.22 | 0.91 | 0.88 | 0.97 |  | 0.232028147421573 | 0.075993067648444 | 0.025975188235704 | 0.01368455693895 | 0.051525291053439 | 0.02564598991212 | 0.059274798798246 | 0.028747459561762 | 0.00314209812244 | 0.01345124032786 | 0.035540489625362 | 0.045898775510764 | 0.04538752705021 | 0.058077309152682 | 0.207032805057582 | 0.489045698832635 | 0.095786679060652 | 0.52310575172737 | 0.782232659611652 | 0.759367957560849 |  | 0.6973017 | 0.8220643 | 1.140996 | 1.034365 | 1.006105 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4991 | 311.1
 |  |  |  | X - 15312 | LC/MS pos | 37559 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.11 | 1.16 | 1.35 | 1.33 | 1.05 | 1.22 | 1.2 | 1.16 | 1.15 | 0.99 |  | 0.433203742927539 | 0.127266402233345 | 0.204056652575168 | 0.072321576668137 | 0.043903808072611 | 0.023342447249046 | 0.035573408624953 | 0.018784697618981 | 0.573907666220343 | 0.456322936738162 | 0.104477999530309 | 0.093692598499515 | 0.069266965983304 | 0.078306948118097 | 0.158993568569942 | 0.436336309713538 | 0.071981554316558 | 0.505875330594641 | 0.994394720626299 | 0.805392425753639 |  | 0.8495381 | 0.9412622 | 0.986205 | 1.148315 | 1.132807 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 3079 | 331.9
 |  |  |  | X - 15317 | LC/MS pos | 37564 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.17 | 1.23 | 1.46 | 1.22 | 1.05 | 1.25 | 1.05 | 1.19 | 1 | 0.84 |  | 0.314650223282362 | 0.098271255682976 | 0.163309526851337 | 0.060495077736557 | 0.039826372172503 | 0.021583362529718 | 0.192200883189334 | 0.075104476999915 | 0.643102152009785 | 0.492254780014331 | 0.15242957166971 | 0.121084527863606 | 0.710825665662427 | 0.377383442009816 | 0.253930321436341 | 0.540437658172025 | 0.940526660770809 | 0.941853848113005 | 0.253808282949145 | 0.627847824031084 |  | 0.8366333 | 0.976613 | 1.026399 | 1.218755 | 1.021586 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1595 | 314
 |  |  |  | X - 15321 | LC/MS pos | 37568 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.65 | 0.62 | 0.61 | 0.65 | 0.96 | 0.94 | 1.01 | 0.97 | 1.05 | 1.08 |  | 0.012690918729789 | 0.007290221467003 | 0.001053038724373 | 0.001146073579949 | 0.001587350622811 | 0.001856691471007 | 0.007849601176019 | 0.005620729897624 | 0.934668239511402 | 0.603054310757096 | 0.840032994377139 | 0.369942089459684 | 0.88937555714724 | 0.42530215360986 | 0.685493342273734 | 0.77698170154729 | 0.924071037432557 | 0.941853848113005 | 0.693968293479729 | 0.729165073473675 |  | 1.531083 | 0.9897267 | 0.9545084 | 0.9303947 | 1.000504 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 3379 | 516.1
 |  |  |  | X - 15346 | LC/MS pos | 37593 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.63 | 1.86 | 1.66 | 1.49 | 0.71 | 0.63 | 0.57 | 0.89 | 0.8 | 0.9 |  | < 0.001 | 0.000738523684118 | 0.006886526997911 | 0.004812094959517 | 0.016425528938229 | 0.010824002452691 | 0.063090878385524 | 0.03038272518802 | 0.032393158782866 | 0.067874492072007 | 0.006393160069948 | 0.012346798989899 | 0.00425251615627 | 0.010003503565333 | 0.287270734865515 | 0.567174924410932 | 0.106937383345154 | 0.52310575172737 | 0.356787277963802 | 0.648124983010399 |  | 0.6018112 | 1.582511 | 1.121456 | 0.9994018 | 0.8962067 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4148 | 366.1
 |  |  |  | X - 15347 | LC/MS pos | 37594 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.61 | 1.7 | 1.59 | 1.3 | 1.05 | 0.99 | 0.8 | 0.94 | 0.76 | 0.81 |  | 0.100412240552577 | 0.039633710692841 | 0.006423528350424 | 0.004619810239736 | 0.074471335398364 | 0.033719068567414 | 0.21988633022418 | 0.083536105050732 | 0.534996156077011 | 0.443199902045964 | 0.999207865135835 | 0.410018805558522 | 0.503819515239657 | 0.304758347333988 | 0.481358092350175 | 0.685287480166482 | 0.093615829356718 | 0.52310575172737 | 0.465060590098668 | 0.675652003511518 |  | 0.6998531 | 1.128889 | 1.189751 | 1.116261 | 0.9063188 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4228 | 312.2
 |  |  |  | X - 15415 | LC/MS neg | 37663 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.05 | 1.05 | 1.26 | 1.25 | 1 | 1.2 | 1.2 | 1.2 | 1.19 | 1 |  | 0.664369278158232 | 0.179974762475781 | 0.577532258193612 | 0.157487579171424 | 0.074386135330248 | 0.033719068567414 | 0.116605965572831 | 0.049069982164709 | 0.909520486479033 | 0.600435753584076 | 0.104594259327813 | 0.093692598499515 | 0.180963542973948 | 0.146842086660665 | 0.089047567405539 | 0.375000347524276 | 0.177105318790945 | 0.580428362557701 | 0.860185456254607 | 0.786494448759029 |  | 0.8970852 | 0.9389197 | 0.9427058 | 1.127674 | 1.122212 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 3086 | 330
 |  |  |  | X - 15494 | LC/MS neg | 37742 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.63 | 0.66 | 0.88 | 0.67 | 1.04 | 1.41 | 1.06 | 1.35 | 1.02 | 0.75 |  | < 0.001 | 0.000411316865682 | < 0.001 | 0.000911695487616 | 0.289530268822384 | 0.104968122878104 | 0.002255238530301 | 0.002056267991808 | 0.570663979869391 | 0.456322936738162 | 0.117904912811697 | 0.100484770648179 | 0.639344499804325 | 0.358052647799538 | 0.179509521765473 | 0.472785053610489 | 0.980124424422202 | 0.941853848113005 | 0.205115021811686 | 0.601914579254405 |  | 1.359743 | 0.8532332 | 0.8906698 | 1.202701 | 0.9053708 |  | 100 | 62.5 | 87.5 | 75 | 75 |  | N/A | N/A |  | 2038 | 572.2
 |  |  |  | X - 15507 | LC/MS pos | 37755 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.83 | 0.87 | 0.73 | 0.66 | 1.05 | 0.88 | 0.8 | 0.84 | 0.77 | 0.91 |  | 0.180227962285774 | 0.063059008158935 | 0.135897167148487 | 0.052556917548385 | 0.019687236143039 | 0.012256879112697 | 0.011029723938647 | 0.007467784292057 | 0.533578834173143 | 0.443199902045964 | 0.686154624713802 | 0.329562967704089 | 0.41126514739115 | 0.262403966754717 | 0.146017153184867 | 0.430783098893647 | 0.064938871176259 | 0.477444145259307 | 0.577786206128576 | 0.700403608036641 |  | 1.198915 | 0.9928572 | 1.038608 | 0.8721828 | 0.7969919 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1194 | 148.1
 |  |  |  | X - 15513 | LC/MS neg | 37761 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.91 | 1.12 | 1.62 | 1.19 | 1.23 | 1.78 | 1.3 | 1.45 | 1.06 | 0.73 |  | 0.714281931818896 | 0.191480302232748 | 0.541959534362138 | 0.150819681141636 | 0.015098167144398 | 0.010337570624823 | 0.234802423048573 | 0.088222565373899 | 0.319795770022769 | 0.332159887154486 | 0.004887832334786 | 0.009706792193455 | 0.10178971661727 | 0.10397056687744 | 0.04892598848799 | 0.303198415493412 | 0.597155114306696 | 0.863866642340944 | 0.060270210014108 | 0.601914579254405 |  | 0.8228685 | 0.7505255 | 0.9216199 | 1.33481 | 0.977895 |  | 87.5 | 75 | 75 | 100 | 100 |  | N/A | N/A |  | 1280 | 248.1
 |  |  |  | X - 15515 | LC/MS neg | 37763 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.08 | 1.06 | 1.39 | 1.08 | 0.97 | 1.28 | 0.99 | 1.31 | 1.02 | 0.78 |  | 0.585750080812052 | 0.164295640261187 | 0.551442043763495 | 0.152743770583609 | 0.067267588097899 | 0.031160997351368 | 0.479037777076666 | 0.152718258413086 | 0.992342871056502 | 0.61279991675769 | 0.131037326313352 | 0.108599194474041 | 0.892552130967165 | 0.42553341644768 | 0.090965679628524 | 0.375000347524276 | 0.886271802537873 | 0.937861296555617 | 0.110370233091365 | 0.601914579254405 |  | 0.9465349 | 1.026673 | 1.000142 | 1.311814 | 1.019631 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1754 | 262.1
 |  |  |  | X - 15520 | LC/MS pos | 37768 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.04 | 1.02 | 1.47 | 1.36 | 0.98 | 1.42 | 1.31 | 1.45 | 1.33 | 0.92 |  | 0.762911725696435 | 0.199528466289885 | 0.815470400458415 | 0.201789430855064 | 0.020615080627237 | 0.012635652601146 | 0.013920230196223 | 0.008854956842007 | 0.924791703113188 | 0.602812104178917 | 0.089514532917425 | 0.084751128030828 | 0.124268213474002 | 0.115723575841861 | 0.060351588320345 | 0.334634985128103 | 0.084007844026824 | 0.52310575172737 | 0.669844689646863 | 0.729165073473675 |  | 0.8779355 | 0.9118418 | 0.894264 | 1.292963 | 1.190477 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1859 | 478.1
 |  |  |  | X - 15523 | LC/MS neg | 37771 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.21 | 0.18 | 0.16 | 0.14 | 0.82 | 0.75 | 0.67 | 0.91 | 0.81 | 0.89 |  | < 0.001 | 0.000118765310522 | < 0.001 | 0.000119255375669 | < 0.001 | 0.000113264351315 | < 0.001 | 4.3746289351e-05 | 0.593971660775862 | 0.466911947757416 | 0.314586096085949 | 0.195445759699236 | 0.126963398244173 | 0.116869011427276 | 0.273233380459159 | 0.564416653094035 | 0.055423757737688 | 0.470637999673923 | 0.229564534332278 | 0.601914579254405 |  | 5.628719 | 1.20316 | 0.9925144 | 0.9017811 | 0.8055741 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4203 | 309.1
 |  |  |  | X - 15528 | LC/MS pos | 37776 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.44 | 1.13 | 1.47 | 1.33 | 2.58 | 3.37 | 3.03 | 1.31 | 1.17 | 0.9 |  | 0.001492293980432 | 0.001324286836205 | 0.55700794464379 | 0.153593604757722 | 0.024436451533844 | 0.014549241665107 | 0.081050471923915 | 0.037144513812631 | < 0.001 | 0.003155775706924 | < 0.001 | 2.5716339138e-05 | < 0.001 | 5.3623631302e-05 | 0.104937748154081 | 0.389918676517815 | 0.28794577554902 | 0.747154107377373 | 0.33751372881411 | 0.64753662645539 |  | 0.8348168 | 0.3654813 | 0.9428316 | 1.230413 | 1.106172 |  | 100 | 25 | 87.5 | 100 | 100 |  | N/A | N/A |  | 2175 | 170.1
 |  |  |  | X - 15552 | LC/MS pos | 37801 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.77 | 0.5 | 0.53 | 0.56 | 0.66 | 0.69 | 0.73 | 1.05 | 1.12 | 1.06 |  | 0.23198161766383 | 0.075993067648444 | 0.003451327258182 | 0.002887456225905 | 0.007751763111918 | 0.006112637085308 | 0.011319413680518 | 0.00758085545836 | 0.030621650815964 | 0.065961169280574 | 0.071349934667521 | 0.07430362793962 | 0.113381437843308 | 0.109115414275998 | 0.934509427197321 | 0.824188802539424 | 0.488381140909949 | 0.809931988517749 | 0.653508527606663 | 0.725874937757349 |  | 1.596974 | 1.224435 | 0.8025255 | 0.8424695 | 0.8951509 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 3258 | 789.1
 |  |  |  | X - 15555 | LC/MS pos | 37804 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.32 | 0.44 | 0.22 | 0.32 | 1.39 | 0.7 | 1.02 | 0.5 | 0.73 | 1.46 |  | < 0.001 | 0.000171778680454 | < 0.001 | 0.000307515288649 | < 0.001 | 4.378878886e-06 | < 0.001 | 4.270318246e-05 | 0.074733062560552 | 0.120513750038095 | 0.199738220335542 | 0.144986803612415 | 0.680866114870194 | 0.370475340157452 | < 0.001 | 0.011006378121039 | 0.058516806504565 | 0.470637999673923 | 0.028632109284185 | 0.534064839509611 |  | 2.823818 | 0.8947791 | 1.242368 | 0.625827 | 0.9128997 |  | 100 | 87.5 | 100 | 87.5 | 87.5 |  | N/A | N/A |  | 3695 | 464
 |  |  |  | X - 15598 | LC/MS neg | 37847 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.51 | 3.05 | 2.61 | 2.38 | 1.22 | 1.04 | 0.95 | 0.86 | 0.78 | 0.91 |  | < 0.001 | 0.000560188504599 | < 0.001 | 0.00022611964387 | < 0.001 | 0.000604049587836 | < 0.001 | 0.000851400556201 | 0.179366959258068 | 0.228763296390009 | 0.715903285685894 | 0.336207191260677 | 0.529217409144673 | 0.31440497454949 | 0.302408974264214 | 0.578555341097162 | 0.114929117374756 | 0.528114298266952 | 0.399280509632727 | 0.666267263476561 |  | 0.4011861 | 1.006649 | 1.223125 | 1.04688 | 0.9563437 |  | 62.5 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2468 | 188.1
 |  |  |  | X - 15650 | LC/MS neg | 37899 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.81 | 1.02 | 0.96 | 0.93 | 1.25 | 1.18 | 1.14 | 0.94 | 0.91 | 0.97 |  | 0.056631655593437 | 0.024786066176827 | 0.870265066891772 | 0.210463034951844 | 0.644691576727454 | 0.19549733967001 | 0.481001384973965 | 0.152987646211696 | 0.051088229567884 | 0.088924979429355 | 0.142283166826796 | 0.114756769198615 | 0.296635744650145 | 0.203781679757909 | 0.552537861309208 | 0.726192837659123 | 0.415213447646035 | 0.779495724687071 | 0.768725777128062 | 0.759367957560849 |  | 1.095753 | 0.8929893 | 1.118517 | 1.04943 | 1.021214 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4146 | 150.2
 |  |  |  | X - 15675 | LC/MS neg | 37924 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.16 | 0.37 | 0.29 | 0.45 | 2.4 | 1.88 | 2.86 | 0.78 | 1.19 | 1.52 |  | < 0.001 | 3.1510246602e-05 | 0.003350565905355 | 0.002858840639788 | < 0.001 | 0.000937107943151 | 0.01146005492214 | 0.007597719038442 | < 0.001 | 0.004832532520433 | 0.006019809851434 | 0.011733411858236 | < 0.001 | 0.000462706633726 | 0.306404808347304 | 0.578555341097162 | 0.3985833177251 | 0.768066159257942 | 0.065035655295864 | 0.601914579254405 |  | 3.140599 | 0.4895313 | 1.175412 | 0.9224085 | 1.400586 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5116 | 311.2
 |  |  |  | X - 15928 | LC/MS pos | 38358 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.34 | 1.11 | 1.27 | 1.44 | 3.27 | 3.75 | 4.27 | 1.15 | 1.31 | 1.14 |  | < 0.001 | 0.000167472564298 | 0.46811006176371 | 0.13388321195649 | 0.08542287650551 | 0.037823616470964 | 0.017297077046876 | 0.010330366487583 | < 0.001 | 0.000129078844503 | < 0.001 | 3.538247841e-06 | < 0.001 | 1.669335265e-06 | 0.223575263615708 | 0.506532176779434 | 0.032231850394805 | 0.453041008323945 | 0.171719178637718 | 0.601914579254405 |  | 0.8730327 | 0.2951701 | 0.9652327 | 1.105868 | 1.260333 |  | 100 | 12.5 | 100 | 100 | 100 |  | N/A | N/A |  | 2139 | 422
 |  |  |  | X - 15931 | LC/MS pos | 38361 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.19 | 1.47 | 1.5 | 2.19 | 7.85 | 8.03 | 11.73 | 1.02 | 1.49 | 1.46 |  | < 0.001 | 3.477279352e-05 | 0.082007651103837 | 0.034777869798038 | 0.094257589873996 | 0.041087392507046 | 0.004084436644845 | 0.00349132817238 | < 0.001 | 1.7058112772e-05 | < 0.001 | 1.5361920825e-05 | < 0.001 | 5.600370203e-06 | 0.989090179088913 | 0.825354916828712 | 0.104021078644991 | 0.52310575172737 | 0.124106559022988 | 0.601914579254405 |  | 0.6755969 | 0.1263972 | 0.992749 | 1.014832 | 1.482185 |  | 100 | 25 | 100 | 100 | 100 |  | N/A | N/A |  | 3583 | 460.1
 |  |  |  | X - 15933 | LC/MS pos | 38363 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.56 | 1.75 | 2.33 | 2.47 | 3.15 | 4.17 | 4.43 | 1.33 | 1.41 | 1.06 |  | 0.008534574648542 | 0.005463632768552 | 0.013982633327465 | 0.008471094634826 | < 0.001 | 0.000503168738993 | < 0.001 | 0.000774648162274 | < 0.001 | 0.001040286698455 | < 0.001 | 5.3511934243e-05 | < 0.001 | 7.7834857295e-05 | 0.143418076841602 | 0.430783098893647 | 0.134685637638108 | 0.556507801927849 | 0.85263465884076 | 0.786494448759029 |  | 0.7590005 | 0.4232163 | 1.331665 | 1.765307 | 1.874147 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4224 | 254.1
 |  |  |  | X - 16063 | LC/MS neg | 38505 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.05 | 1.46 | 1.24 | 1.26 | 0.71 | 0.6 | 0.61 | 0.85 | 0.86 | 1.01 |  | < 0.001 | 0.000534943064156 | 0.016239067458142 | 0.009742127904618 | 0.102310043583581 | 0.043781692632736 | 0.101154673800103 | 0.04364205409452 | 0.001688015331825 | 0.008226921226282 | < 0.001 | 0.000314426158726 | < 0.001 | 0.000704195388387 | 0.069014933977483 | 0.339190092841548 | 0.106414591569542 | 0.52310575172737 | 0.945780149918877 | 0.80315509384266 |  | 0.7502999 | 1.540059 | 1.093908 | 0.93156 | 0.9421676 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4770 | 341.1
 |  |  |  | X - 16065 | LC/MS neg | 38508 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.95 | 1.23 | 1.55 | 1.58 | 0.63 | 0.8 | 0.81 | 1.26 | 1.29 | 1.02 |  | 0.011250649459633 | 0.006671347097136 | 0.305597619616399 | 0.098385977863543 | 0.121540490823723 | 0.050472219987833 | 0.030806669292434 | 0.016853233167788 | 0.036211787039619 | 0.072888176238624 | 0.226685355331973 | 0.157487515964651 | 0.275723969446307 | 0.195173107900656 | 0.462486248805334 | 0.681652329955189 | 0.11441907380748 | 0.528114298266952 | 0.568998046254392 | 0.700403608036641 |  | 0.6505759 | 1.267138 | 0.7969874 | 1.007656 | 1.028821 |  | 62.5 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1364 | 442.2
 |  |  |  | X - 16103 | LC/MS neg | 38546 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.96 | 0.98 | 0.95 | 1 | 1.02 | 0.98 | 1.04 | 0.97 | 1.02 | 1.06 |  | 0.681189088970285 | 0.183757460814597 | 0.792977486505219 | 0.198621367454488 | 0.546457757879977 | 0.171592062535161 | 0.999836048933433 | 0.261961084485721 | 0.919554526291633 | 0.601940713220798 | 0.889391625322068 | 0.382086992466042 | 0.695625960790301 | 0.371719640173769 | 0.819019397981484 | 0.799404399085483 | 0.800404850476311 | 0.920759126473464 | 0.571701880744627 | 0.700403608036641 |  | 1.05397 | 1.014157 | 1.032586 | 0.9966199 | 1.057421 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 659.1 | 99.3
 |  |  |  | X - 16186 | LC/MS pos | 38744 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.15 | 0.44 | 0.59 | 0.53 | 0.21 | 0.28 | 0.25 | 1.34 | 1.2 | 0.9 |  | 0.006801472596112 | 0.004488115433471 | 0.021059815648338 | 0.011772765315283 | 0.113838962179532 | 0.047840155514698 | 0.067518866328012 | 0.032063516094502 | < 0.001 | 3.2238933614e-05 | < 0.001 | 0.000615330102483 | < 0.001 | 0.000177398756629 | 0.510976379006617 | 0.70069276525279 | 0.605674730108788 | 0.863866642340944 | 0.858598846834572 | 0.786494448759029 |  | 0.9961604 | 2.141065 | 0.442385 | 0.5922213 | 0.5316578 |  | 87.5 | 100 | 50 | 37.5 | 62.5 |  | N/A | N/A |  | 2264.8 | 549.3
 |  |  |  | X - 16209 | LC/MS neg | 38775 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.07 | 1.04 | 0.96 | 1.04 | 0.98 | 0.9 | 0.98 | 0.92 | 1 | 1.09 |  | 0.361974799290784 | 0.110111745141416 | 0.514981188533831 | 0.145261819018966 | 0.600873877272216 | 0.185770004897279 | 0.651190749064508 | 0.191117650213639 | 0.734260608197 | 0.527455650132174 | 0.088379426019296 | 0.08456561142908 | 0.72494021617236 | 0.379503272656306 | 0.149779429490939 | 0.435291714845624 | 0.926022299400501 | 0.941853848113005 | 0.325975164043331 | 0.641760721737393 |  | 0.9926443 | 1.057934 | 1.034788 | 0.9488719 | 1.036682 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 5168.9 | 271.2
 |  |  |  | X - 16247 | LC/MS neg | 38815 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.79 | 1.66 | 2.04 | 1.62 | 2.1 | 2.58 | 2.05 | 1.23 | 0.97 | 0.79 |  | 0.198973109668871 | 0.06809296098203 | 0.010815083609357 | 0.007037439581876 | 0.001448406840016 | 0.00176783142016 | 0.109441925515323 | 0.046484305340931 | < 0.001 | 0.00492062930778 | < 0.001 | 0.000951805689382 | 0.022635705501414 | 0.034910690696204 | 0.285139692999073 | 0.566784608373965 | 0.646235859540579 | 0.870747975747549 | 0.213012357707323 | 0.601914579254405 |  | 0.4991625 | 0.3938329 | 0.8284184 | 1.016975 | 0.8069375 |  | 25 | 12.5 | 87.5 | 87.5 | 62.5 |  | N/A | N/A |  | 1086.6 | 208.1
 |  |  |  | X - 16249 | LC/MS neg | 38817 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.47 | 0.75 | 0.44 | 0.61 | 1.6 | 0.95 | 1.32 | 0.59 | 0.82 | 1.39 |  | 0.003248993706315 | 0.002564820302591 | 0.069113100157895 | 0.029928753993877 | < 0.001 | 5.8784762491e-05 | 0.00127155797507 | 0.001380206640342 | 0.046189082264511 | 0.085940568597529 | 0.802023913242384 | 0.357125370419707 | 0.111656106138278 | 0.1087992573572 | 0.009454510699855 | 0.11843438118863 | 0.32569623313401 | 0.747154107377373 | 0.009381107616836 | 0.321018131396187 |  | 1.737684 | 0.8101056 | 1.29881 | 0.7699717 | 1.067525 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 3505.5 | 245.2
 |  |  |  | X - 16261 | LC/MS neg | 38830 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.88 | 0.74 | 0.78 | 0.86 | 0.84 | 0.89 | 0.97 | 1.07 | 1.16 | 1.09 |  | 0.158017865684171 | 0.056637936225907 | 0.001279435827593 | 0.001300408321424 | 0.005007295815718 | 0.004566180978795 | 0.051521141896195 | 0.025255720827981 | 0.081369735354532 | 0.12698171088842 | 0.248509782507772 | 0.167669547635485 | 0.843497440803755 | 0.412164074051339 | 0.379169547967266 | 0.621722462893432 | 0.050282555592003 | 0.470637999673923 | 0.21134628239786 | 0.601914579254405 |  | 1.132243 | 0.9949585 | 0.8326662 | 0.8869523 | 0.9683354 |  | 100 | 87.5 | 62.5 | 100 | 100 |  | N/A | N/A |  | 2251.2 | 415.4
 |  |  |  | X - 16277 | GC/MS | 38846 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 11.89 | 7.13 | 5.06 | 5.84 | 0.6 | 0.43 | 0.49 | 0.71 | 0.82 | 1.15 |  | < 0.001 | 8.8910019e-08 | < 0.001 | 6.949748864e-06 | < 0.001 | 1.3557000474e-05 | < 0.001 | 4.722155761e-06 | 0.008876544578503 | 0.029600199751785 | < 0.001 | 0.000655308902795 | 0.001546014760908 | 0.004557512814196 | < 0.001 | 0.017399124642297 | 0.094727077591124 | 0.52310575172737 | 0.457393911737363 | 0.675652003511518 |  | 0.1552329 | 1.845666 | 1.106481 | 0.7847877 | 0.9058512 |  | 50 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1938.6 | 327.2
 |  |  |  | X - 16397 | LC/MS pos | 38966 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.84 | 0.61 | 0.63 | 0.52 | 0.73 | 0.76 | 0.62 | 1.04 | 0.85 | 0.81 |  | 0.545620586343304 | 0.154643108972425 | 0.043254427464999 | 0.020698746553177 | 0.060869861492556 | 0.029259546042294 | 0.010493283759629 | 0.007139928313296 | 0.014252903052829 | 0.040677538142233 | 0.050333913360743 | 0.058145810929669 | 0.006766143922948 | 0.014358518090292 | 0.934885395101184 | 0.824188802539424 | 0.185933221589365 | 0.600380353881771 | 0.213988054010752 | 0.601914579254405 |  | 1.555797 | 1.300949 | 0.9489004 | 0.9865367 | 0.8019397 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2200.8 | 248.1
 |  |  |  | X - 16566 | LC/MS neg | 39139 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.53 | 0.51 | 0.52 | 0.51 | 0.96 | 0.98 | 0.96 | 1.03 | 1 | 0.97 |  | 0.003714782480624 | 0.002845245755342 | 0.002920866858245 | 0.002529705814081 | 0.003538805561506 | 0.003599363733441 | 0.002920866858245 | 0.002560740995245 | 0.350616662820208 | 0.344945901138931 | 0.755979208661476 | 0.348224199564775 | 0.350616662820208 | 0.231312551962507 | 0.202054337045582 | 0.487285238909912 |  |  | 0.202054337045582 | 0.601914579254405 |  | 1.234008 | 0.6593707 | 0.6309227 | 0.6475963 | 0.6309227 |  | 87.5 | 12.5 | 12.5 | 25 | 0 |  | N/A | N/A |  | 3027 | 404.2
 |  |  |  | X - 16580 | LC/MS pos | 39153 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 2.92 | 2.8 | 2.67 | 2.45 | 0.96 | 0.92 | 0.84 | 0.95 | 0.88 | 0.92 |  | < 0.001 | 8.6385221768e-05 | < 0.001 | 0.000133514604131 | < 0.001 | 0.000257828538871 | < 0.001 | 0.000395322184905 | 0.690577475473702 | 0.510238703241031 | 0.400251936934204 | 0.229579272531908 | 0.158072536745127 | 0.134845087505203 | 0.698801405303767 | 0.77698170154729 | 0.265558351275616 | 0.738009446507402 | 0.361785335809917 | 0.648124983010399 |  | 0.4094137 | 1.195452 | 1.146037 | 1.094162 | 1.004622 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1681.8 | 222
 |  |  |  | X - 16581 | LC/MS pos | 39154 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.65 | 0.67 | 1.07 | 0.82 | 1.03 | 1.65 | 1.26 | 1.59 | 1.22 | 0.76 |  | 0.018737331594916 | 0.009567597109645 | 0.024233230456425 | 0.013245714702853 | 0.788336635658634 | 0.224902730723175 | 0.233764154010587 | 0.08807441812569 | 0.837421990999074 | 0.575463449528421 | 0.018122994974788 | 0.027250045497789 | 0.261872660701923 | 0.188811738929833 | 0.023317143209007 | 0.202977623313684 | 0.32988415035854 | 0.747154107377373 | 0.18191772997366 | 0.601914579254405 |  | 1.314736 | 0.8556252 | 0.883223 | 1.408124 | 1.076107 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2233.2 | 304.1
 |  |  |  | X - 16595 | LC/MS pos | 39168 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.85 | 1.19 | 1.12 | 1.54 | 1.39 | 1.31 | 1.81 | 0.94 | 1.3 | 1.38 |  | 0.141320792699266 | 0.052404944717575 | 0.086094395442335 | 0.035892149419765 | 0.263539624172545 | 0.096330279335017 | 0.144160034543785 | 0.058854349269285 | 0.011341159727778 | 0.036007498067461 | 0.0308938284163 | 0.042492558369701 | 0.038190728187406 | 0.05053434313822 | 0.552924509547238 | 0.726192837659123 | 0.477506789703002 | 0.809931988517749 | 0.327995616504913 | 0.641760721737393 |  | 0.9012884 | 0.7683164 | 1.068369 | 1.008886 | 1.387894 |  | 100 | 75 | 100 | 100 | 87.5 |  | N/A | N/A |  | 4049.8 | 152.1
 |  |  |  | X - 16606 | LC/MS neg | 39179 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.24 | 0.84 | 2.21 | 2.09 | 3.59 | 9.4 | 8.87 | 2.62 | 2.47 | 0.94 |  | < 0.001 | 1.2956583023e-05 | 0.257947596114022 | 0.086204565763405 | < 0.001 | 0.001106279835434 | < 0.001 | 0.000344695681562 | 0.005158176321292 | 0.019718380916796 | < 0.001 | 1.0865957001e-05 | < 0.001 | 2.440458154e-06 | 0.003733264843961 | 0.07150927106201 | 0.004149644428916 | 0.30418057466477 | 0.878800247545131 | 0.790619240461757 |  | 0.7015511 | 0.1650436 | 0.5918669 | 1.551055 | 1.463488 |  | 100 | 12.5 | 75 | 100 | 100 |  | N/A | N/A |  | 2143.6 | 253.1
 |  |  |  | X - 16607 | LC/MS neg | 39180 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 3.22 | 3.21 | 2.38 | 2.88 | 1 | 0.74 | 0.89 | 0.74 | 0.9 | 1.21 |  | 0.001103848098669 | 0.001042738320189 | 0.001144585755034 | 0.001213492089624 | 0.005042393067317 | 0.004566180978795 | 0.001920681449934 | 0.001889813875064 | 0.9819743892862141 | 0.611436707230751 | 0.043261757869892 | 0.052640906152731 | 0.38691112471463 | 0.250114136119155 | 0.040309905592048 | 0.274852578607643 | 0.382448202987376 | 0.756659457016192 | 0.155301792675495 | 0.601914579254405 |  | 0.392544 | 1.265243 | 1.259357 | 0.9349353 | 1.129197 |  | 75 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4776.5 | 244.2
 |  |  |  | X - 16613 | LC/MS neg | 39186 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.48 | 1.27 | 1.9 | 1.7 | 2.67 | 3.99 | 3.57 | 1.49 | 1.34 | 0.9 |  | 0.003355416351784 | 0.002616725397166 | 0.071560976406614 | 0.030880050358645 | 0.001109981104952 | 0.00144258015066 | 0.004672818503217 | 0.00384989882522 | < 0.001 | 0.003777956776864 | < 0.001 | 0.000264207977613 | < 0.001 | 0.000483207809707 | 0.019869642636472 | 0.193470976947553 | 0.083371628126224 | 0.52310575172737 | 0.517009233075211 | 0.69370762442494 |  | 0.7580389 | 0.3605604 | 0.9630044 | 1.436922 | 1.288748 |  | 100 | 75 | 100 | 100 | 100 |  | N/A | N/A |  | 1914.2 | 170.1
 |  |  |  | X - 16614 | LC/MS neg | 39187 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.39 | 1.11 | 1.77 | 1.49 | 2.82 | 4.51 | 3.79 | 1.6 | 1.34 | 0.84 |  | < 0.001 | 1.7471610281e-05 | 0.403739680594023 | 0.121401689136975 | < 0.001 | 0.000865141539908 | 0.008045778368485 | 0.005731196884085 | < 0.001 | 4.155211159e-05 | < 0.001 | 9.92747153e-07 | < 0.001 | 3.648072219e-06 | 0.003624995115834 | 0.07150927106201 | 0.048213817994614 | 0.470637999673923 | 0.232576385693228 | 0.601914579254405 |  | 0.8476036 | 0.333396 | 0.9404439 | 1.503709 | 1.26456 |  | 100 | 50 | 100 | 100 | 100 |  | N/A | N/A |  | 1985.1 | 202.1
 |  |  |  | X - 16617 | LC/MS neg | 39190 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.44 | 1.38 | 2.15 | 1.83 | 3.14 | 4.9 | 4.16 | 1.56 | 1.33 | 0.85 |  | < 0.001 | 0.000268876629576 | 0.025373396032853 | 0.0135892184536 | < 0.001 | 0.000299876978812 | < 0.001 | 0.000689855491332 | < 0.001 | 0.000139736046795 | < 0.001 | 4.645146826e-06 | < 0.001 | 1.253890985e-05 | 0.010408883680497 | 0.125323450076871 | 0.062043508006328 | 0.470637999673923 | 0.320930235734419 | 0.641760721737393 |  | 0.7645612 | 0.3355986 | 1.053438 | 1.643356 | 1.397475 |  | 100 | 87.5 | 100 | 100 | 100 |  | N/A | N/A |  | 2805.1 | 218.1
 |  |  |  | X - 16619 | LC/MS pos | 39192 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.58 | 0.94 | 0.65 | 0.64 | 0.59 | 0.41 | 0.4 | 0.69 | 0.68 | 0.99 |  | 0.012647371859287 | 0.007290221467003 | 0.745905315013387 | 0.19071516486416 | 0.044568401487621 | 0.023560543517818 | 0.039681091549801 | 0.020250106321502 | 0.006954151507425 | 0.024478000959386 | < 0.001 | 1.6077251827e-05 | < 0.001 | 1.6005690164e-05 | 0.096565311839896 | 0.380306370994112 | 0.086705241818161 | 0.52310575172737 | 0.929958661174272 | 0.80315509384266 |  | 1.024693 | 1.62275 | 0.9650862 | 0.6634988 | 0.6559079 |  | 75 | 100 | 75 | 75 | 75 |  | N/A | N/A |  | 1649 | 455.1
 |  |  |  | X - 16820 | LC/MS neg | 39401 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.41 | 0.15 | 0.1 | 0.13 | 0.37 | 0.24 | 0.33 | 0.66 | 0.88 | 1.34 |  | 0.086029996058382 | 0.034738895295714 | < 0.001 | 0.000924520544708 | < 0.001 | 0.000533737741726 | < 0.001 | 0.000716542795859 | < 0.001 | 0.001692593805548 | < 0.001 | 1.2047462477e-05 | < 0.001 | 0.000197153898747 | 0.089944854446469 | 0.375000347524276 | 0.665356310534623 | 0.873542602511128 | 0.151481059579369 | 0.601914579254405 |  | 3.831921 | 1.580681 | 0.5845985 | 0.3851377 | 0.5157726 |  | 100 | 100 | 75 | 50 | 62.5 |  | N/A | N/A |  | 1378.2 | 899.4
 |  |  |  | X - 16830 | LC/MS pos | 39411 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.38 | 0.16 | 0.11 | 0.11 | 0.42 | 0.28 | 0.3 | 0.68 | 0.72 | 1.06 |  | 0.043364884930057 | 0.020290893977674 | < 0.001 | 0.000911695487616 | < 0.001 | 0.000254152802892 | < 0.001 | 0.000310772670013 | 0.01255535456979 | 0.037634163340274 | 0.00118832171549 | 0.003166447119711 | 0.00195943339738 | 0.005536419503481 | 0.202360187495845 | 0.487285238909912 | 0.43946780263379 | 0.785808100278082 | 0.557350800837823 | 0.700403608036641 |  | 3.847813 | 1.446582 | 0.6035456 | 0.4110192 | 0.4365243 |  | 100 | 100 | 75 | 37.5 | 50 |  | N/A | N/A |  | 1332.2 | 991
 |  |  |  | X - 16869 | LC/MS neg | 39450 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 3.96 | 5.74 | 3.47 | 1.73 | 1.45 | 0.88 | 0.44 | 0.6 | 0.3 | 0.5 |  | < 0.001 | 0.000844243527989 | 0.011438798753444 | 0.007326993275562 | 0.071004695785234 | 0.032463610372211 | 0.163758027910705 | 0.065296059193036 | 0.959550419509667 | 0.610222161247921 | 0.289676857167409 | 0.187051630097729 | 0.03289402764226 | 0.046147727405536 | 0.401703717077597 | 0.641206852262931 | 0.106235751132649 | 0.52310575172737 | 0.462242469033773 | 0.675652003511518 |  | 0.5206323 | 2.061988 | 2.986934 | 1.804776 | 0.9032084 |  | 87.5 | 100 | 100 | 87.5 | 87.5 |  | N/A | N/A |  | 5179.8 | 330.2
 |  |  |  | X - 16972 | LC/MS neg | 39558 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 7.55 | 0.57 | 0.57 | 0.57 | 0.08 | 0.08 | 0.08 | 1 | 1 | 1 |  | < 0.001 | 5.523841713e-06 | 0.049818549186019 | 0.023126307047738 | 0.049818549186019 | 0.025127689675802 | 0.049818549186019 | 0.024597433684973 | < 0.001 | 3.5380236041e-05 | < 0.001 | 1.504636832e-05 | < 0.001 | 1.6005690164e-05 |  |  |  |  |  |  |  | 0.239241 | 1.806563 | 0.1362695 | 0.1362695 | 0.1362695 |  | 62.5 | 100 | 0 | 0 | 0 |  | N/A | N/A |  | 4447.6 | 369.3
 |  |  |  | X - 17001 | LC/MS pos | 39632 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 8.5 | 11.74 | 12.38 | 12.36 | 1.38 | 1.46 | 1.45 | 1.05 | 1.05 | 1 |  | < 0.001 | 9.621965e-09 | < 0.001 | 9.436e-12 | < 0.001 | 1.037e-12 | < 0.001 | 5.714335e-09 | 0.005174831260301 | 0.019718380916796 | 0.002633456409893 | 0.005897440635455 | 0.009829161819983 | 0.019235827650576 | 0.463930188296565 | 0.681652329955189 | 0.779019575553706 | 0.913626315059327 | 0.855208236627186 | 0.786494448759029 |  | 0.09414972 | 0.8006272 | 1.105688 | 1.16539 | 1.163927 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1729.5 | 288.2
 |  |  |  | X - 17002 | LC/MS pos | 39633 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.27 | 1.2 | 0.87 | 1.16 | 4.46 | 3.24 | 4.3 | 0.73 | 0.96 | 1.33 |  | < 0.001 | 0.000478646048693 | 0.211975452853636 | 0.074484195216404 | 0.361333669087239 | 0.124612653376933 | 0.194397773701233 | 0.075474992230591 | < 0.001 | 0.001210077520788 | < 0.001 | 0.002558140376851 | < 0.001 | 0.000980143014773 | 0.021076610716426 | 0.193544306466147 | 0.884430588538762 | 0.937861296555617 | 0.006148849923725 | 0.280548579602323 |  | 1.047571 | 0.2819562 | 1.25697 | 0.9128886 | 1.211476 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 2206.5 | 450.2
 |  |  |  | X - 17005 | LC/MS pos | 39636 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.15 | 1.25 | 1.88 | 1.99 | 8.55 | 12.87 | 13.64 | 1.5 | 1.59 | 1.06 |  | < 0.001 | 1.9373904e-08 | 0.074092461025643 | 0.031749634196331 | < 0.001 | 0.000299876978812 | < 0.001 | 0.000242486603722 | < 0.001 | 1.517738e-09 | < 0.001 | 1.01588e-10 | < 0.001 | 1.387762e-09 | 0.001413815667934 | 0.035046132623166 | 0.00176780132932 | 0.168964180188263 | 0.684242110152161 | 0.729165073473675 |  | 0.775874 | 0.1134071 | 0.9700705 | 1.45913 | 1.54719 |  | 100 | 62.5 | 100 | 100 | 100 |  | N/A | N/A |  | 3443.9 | 478.2
 |  |  |  | X - 17006 | LC/MS pos | 39637 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.12 | 0.18 | 0.24 | 0.2 | 1.55 | 2.11 | 1.76 | 1.36 | 1.13 | 0.83 |  | < 0.001 | 1.021113576e-06 | < 0.001 | 1.218217286e-06 | < 0.001 | 1.3499174241e-05 | < 0.001 | 7.851142004e-06 | < 0.001 | 0.000184804670047 | 0.002070572475345 | 0.004789766493478 | 0.013325924082448 | 0.023547292973621 | 0.146183535852348 | 0.430783098893647 | 0.744028245943742 | 0.895633047726045 | 0.383310507306064 | 0.648124983010399 |  | 4.846005 | 0.5595996 | 0.8691642 | 1.18169 | 0.9840773 |  | 100 | 0 | 100 | 100 | 87.5 |  | N/A | N/A |  | 4283.4 | 250.1
 |  |  |  | X - 17010 | LC/MS neg | 39641 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.32 | 0.67 | 0.39 | 0.54 | 2.08 | 1.21 | 1.69 | 0.58 | 0.81 | 1.4 |  | < 0.001 | 0.000463699105365 | 0.005399710205689 | 0.004124688717882 | < 0.001 | 1.1624712264e-05 | < 0.001 | 0.000390071530777 | 0.005290733291199 | 0.019718380916796 | 0.220808816959258 | 0.154424147572544 | 0.023385415530775 | 0.035364353569588 | < 0.001 | 0.027293732751084 | 0.148067944777702 | 0.569851795642191 | 0.023053665807247 | 0.534064839509611 |  | 1.906828 | 0.6109934 | 1.272313 | 0.7400841 | 1.03359 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 3169.5 | 189
 |  |  |  | X - 17014 | LC/MS neg | 39645 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.15 | 0.11 | 0.18 | 0.16 | 0.73 | 1.24 | 1.07 | 1.69 | 1.47 | 0.87 |  | < 0.001 | 3.4150086267e-05 | < 0.001 | 6.385358803e-06 | < 0.001 | 0.000298478687288 | < 0.001 | 9.4158441483e-05 | 0.344377427197111 | 0.343171388769828 | 0.674467006028338 | 0.325641328296124 | 0.994673727267995 | 0.453653146922506 | 0.206777703619261 | 0.489045698832635 | 0.382508104240747 | 0.756659457016192 | 0.685213667389617 | 0.729165073473675 |  | 3.350467 | 0.49484 | 0.3612835 | 0.6123618 | 0.5305032 |  | 100 | 50 | 25 | 50 | 62.5 |  | N/A | N/A |  | 2768.7 | 169.1
 |  |  |  | X - 17017 | LC/MS neg | 39648 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.62 | 0.85 | 0.69 | 0.75 | 1.37 | 1.11 | 1.2 | 0.81 | 0.88 | 1.08 |  | 0.003944209443439 | 0.00298542884304 | 0.065031107276334 | 0.028976750590499 | 0.0045530066289 | 0.004260446786657 | < 0.001 | 0.001098839626222 | 0.028843513999988 | 0.063454143417959 | 0.424262775924022 | 0.238590361893647 | 0.110962565934922 | 0.108577762431913 | 0.067790966814146 | 0.339190092841548 | 0.088818239150947 | 0.52310575172737 | 0.331201449067157 | 0.641760721737393 |  | 1.305135 | 0.8131908 | 1.112273 | 0.9051501 | 0.9749101 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 4605.1 | 229.1
 |  |  |  | X - 17018 | LC/MS neg | 39649 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.44 | 0.66 | 0.44 | 0.56 | 1.5 | 1 | 1.27 | 0.67 | 0.85 | 1.27 |  | < 0.001 | 0.000148098853451 | 0.012812968327557 | 0.007944679848561 | < 0.001 | 0.000118777530963 | 0.001699271529938 | 0.001734348920677 | 0.047219539238139 | 0.086542533791466 | 0.923113805952038 | 0.391776937584465 | 0.225763839337506 | 0.171743519546605 | 0.046402369827906 | 0.300831310575642 | 0.385710478933008 | 0.756659457016192 | 0.237079911461679 | 0.601914579254405 |  | 1.664474 | 0.7288454 | 1.092536 | 0.732298 | 0.9280905 |  | 100 | 50 | 100 | 62.5 | 100 |  | N/A | N/A |  | 4030.9 | 227.1
 |  |  |  | X - 17019 | LC/MS neg | 39650 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.18 | 1.22 | 2.64 | 2.33 | 6.73 | 14.56 | 12.89 | 2.16 | 1.92 | 0.89 |  | < 0.001 | 8.437670606e-06 | 0.249432338076361 | 0.08358595247356 | < 0.001 | 4.5156758178e-05 | < 0.001 | 4.0127761022e-05 | < 0.001 | 1.7058112772e-05 | < 0.001 | 3.92942055e-07 | < 0.001 | 1.447967004e-06 | < 0.001 | 0.011006378121039 | < 0.001 | 0.070255643620441 | 0.426550687394757 | 0.675652003511518 |  | 0.6660901 | 0.1206327 | 0.8119479 | 1.756298 | 1.554981 |  | 100 | 75 | 100 | 100 | 100 |  | N/A | N/A |  | 4177.3 | 227.1
 |  |  |  | X - 17022 | LC/MS neg | 39653 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.19 | 0.38 | 0.38 | 0.4 | 1.99 | 1.97 | 2.1 | 0.99 | 1.05 | 1.06 |  | < 0.001 | 4.09647136e-07 | < 0.001 | 4.7007271313e-05 | < 0.001 | 8.2405557579e-05 | < 0.001 | 5.3615727652e-05 | < 0.001 | 0.002789980973416 | 0.001007759697764 | 0.002791313983203 | < 0.001 | 0.000483601849116 | 0.89614676920979 | 0.808646095851868 | 0.635332380302002 | 0.863866642340944 | 0.563226966104137 | 0.700403608036641 |  | 2.638308 | 0.5014167 | 0.9973219 | 0.9896875 | 1.052089 |  | 100 | 87.5 | 100 | 100 | 100 |  | N/A | N/A |  | 4682.1 | 329.2
 |  |  |  | X - 17029 | LC/MS pos | 39660 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.15 | 1.15 | 1.52 | 1.62 | 7.46 | 9.91 | 10.5 | 1.33 | 1.41 | 1.06 |  | < 0.001 | 0.000124000345125 | 0.228119053704648 | 0.078851699289762 | 0.012149882096192 | 0.008714755118337 | 0.008704700441552 | 0.006074020458396 | < 0.001 | 0.000661612335039 | < 0.001 | 0.000140812271614 | < 0.001 | 0.000118266891382 | 0.013324112133787 | 0.14583192869786 | 0.013284717283714 | 0.422795336908257 | 0.708330955070944 | 0.729165073473675 |  | 0.8229939 | 0.1266349 | 0.9451233 | 1.254843 | 1.329378 |  | 100 | 75 | 100 | 100 | 100 |  | N/A | N/A |  | 1616 | 366.2
 |  |  |  | X - 17115 | LC/MS neg | 39752 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.14 | 1.6 | 1.84 | 1.38 | 1.41 | 1.62 | 1.21 | 1.15 | 0.86 | 0.75 |  | 0.649777500769827 | 0.176766191827837 | 0.008433211663623 | 0.005636659231607 | 0.002636072749679 | 0.00284617867957 | 0.072930068763444 | 0.034042190230709 | 0.045918184120498 | 0.085940568597529 | 0.016376560463482 | 0.025163290026496 | 0.234805876199342 | 0.17639595462494 | 0.300239968560973 | 0.578555341097162 | 0.230932374507565 | 0.689756865817811 | 0.064332102589967 | 0.601914579254405 |  | 0.6910915 | 0.7844669 | 1.105112 | 1.270211 | 0.9514958 |  | 75 | 62.5 | 100 | 100 | 87.5 |  | N/A | N/A |  | 1308.7 | 316
 |  |  |  | X - 17434 | GC/MS | 40259 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 0.87 | 1.07 | 1.35 | 0.95 | 1.23 | 1.54 | 1.09 | 1.25 | 0.89 | 0.71 |  | 0.099814336078333 | 0.039518935575007 | 0.448429955621096 | 0.129763421599349 | 0.153355959771704 | 0.061245211904832 | 0.487353874651759 | 0.153579477343428 | 0.050682271036326 | 0.088705755859339 | 0.036525025307344 | 0.046598493739991 | 0.711387136513649 | 0.377383442009816 | 0.306956811259975 | 0.578555341097162 | 0.287490417382487 | 0.747154107377373 | 0.103912121092568 | 0.601914579254405 |  | 1.031725 | 0.9008245 | 1.108916 | 1.388361 | 0.9820153 |  | 100 | 100 | 100 | 100 | 100 |  | N/A | N/A |  | 1887.2 | 292.3
 |  |  |  | X - 17501 | LC/MS neg | 40331 | http://www.genome.jp/dbget-bin/www_bget?cpd+ | http://www.hmdb.ca/metabolites/ |  | 1.26 | 3.17 | 2.43 | 2.87 | 2.52 | 1.93 | 2.28 | 0.77 | 0.91 | 1.18 |  | 0.230207272206746 | 0.075993067648444 | < 0.001 | 3.400887819e-06 | < 0.001 | 7.8359325905e-05 | < 0.001 | 8.143601511e-06 | < 0.001 | 0.000458763206486 | 0.001224356957129 | 0.003221687141611 | < 0.001 | 0.000517918384419 | 0.059487977858191 | 0.334634985128103 | 0.440676713285979 | 0.785808100278082 | 0.14337522735204 | 0.601914579254405 |  | 0.432637 | 0.5444518 | 1.371712 | 1.051594 | 1.243149 |  | 75 | 75 | 100 | 100 | 100 |  | N/A | N/A |  | 5051.6 | 287.3