Metabolite_name RefMet_name M_control_2 M_control_3 M_control_4 M_isoprenaline_1 M_isoprenaline_2 M_isoprenaline_3 M_isoprenaline_4 Factors - Treatment:Control_13C-Glucose Treatment:Control_13C-Glucose Treatment:Control_13C-Glucose Treatment:Isoprenaline_13C-Glucose Treatment:Isoprenaline_13C-Glucose Treatment:Isoprenaline_13C-Glucose Treatment:Isoprenaline_13C-Glucose 1-(3_4-dimethoxylphenyl)ethane-1_2-diol 19074 27265 32192 20435 22618 16618 1_3_5-trimethoxybenzene 1,3,5-Trimethoxybenzene 105550 105014 148227 120376 136282 106853 98909 14-Dihydroxycornestin Cornexistin 15-Keto-prostaglandinE2 15-Keto-PGE2 39794.2070 1_6-diaminohexane 216526 150418 284579 116900 155025 237178 142579 1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide 27587 54695 51635 58396 86903 28894 45791 1-Caffeoyl-4-deoxyquinic acid 1-Methylhypoxanthine 1-Methylhypoxanthine 67037 67974 74332 92595 143489 66298 81493 2_3_4_5-Tetrahydropyridine-2-carboxylate (S)-1-Piperideine-6-carboxylic acid 108634 83435 90726 76444 100912 73815 76381 2_3-Dimethylmaleate Dimethyl maleate 746427 762104 751869 802903 1447511 777548 830176 2-acetamidoglucal 13453 13349 17116 2-amino-3_7-dideoxy-D-threo-hept-6-ulosonate 2-amino-6-hydroxymethyl-7_7-dimethyl-7_8-dihydropteridin-4-one 2-Aminoacrylate 2-Aminoacrylic acid 60746 52410 68078 65419 139414 64056 76641 2 -(Butylamido)-4-hydroxybutanoic acid 113673 116202 114834 127307 157527 110958 111587 2-chlorohexadecanol 2-Chlorohexadecanol 1186483 1495154.7500 1831760.7500 1255498.3750 1929910.2500 1715060.1250 1412443.1250 2-Hexenoylcarnitine CAR 6:1 15988 2-hydroxypurine 108802 96116 88769 77758 296572 75860 89463 2-Methylbutyroylcarnitine CAR 4:0;2Me 82172 72363 91210 78078 69653 89815 66462 2-nitro-1-propanol 24184 17731 31431 18628 2-trans_4-cis-Decadienoylcarnitine 11172.1699 3_4-Dehydrothiomorpholine-3-carboxylate 95221 157314 87419 69855 94136 122382 137052 3^_5^-Cyclic AMP 3',5' cyclic AMP 3_5-dihydro-5-methylidene-4H-imidazol-4-one 108417 109140 140012 154655 141319 162848 174242 3-Aminobenzenesulfonate 3-Butynoate 3-Butynoic acid 304595 245336 262710 205371 338426 266794 247099 3-Ketosphingosine 3-Ketosphingosine 35057.0039 24009.7051 3-Methylguanine 3-Methylguanine 353990 340172 320683 321480 521114 295124 318191 3-nitro-2-butanol 25589 73126 3-Oxo-delta4-steroid Androst-4-en-3-one 21761.9766 3-oxopimelic acid 3-Oxosteroid 3-(Pyrazol-1-yl)-L-alanine 3-(Pyrazol-1-yl)-L-alanine 7383003 6657164 6374151 7068483 10741769 6780076 6874366 (3S_5S)-carbapenam 17303 18633 18348 23706 23822 17796 16615 3-Ureidopropionate Ureidopropionic acid 454701 453925 412812 478641 796192 489133 490848 4_5_6_7-Tetrahydroisoxazolo(5_4-c)pyridin-3-ol 64950 59326 63592 37164 39753 76129 47838 4-fluorotryptophan 1187326 1275070 1172461 1177786 2219328 1294753 1220261 4-Guanidinobutanoate 4-Guanidinobutanoic acid 229451 219349 280084 281983 191211 228207 234238 4-Imidazolone-5-acetate 4-Imidazolone-5-propanoate 4-Imidazolone-5-propionic acid 18362 4-Methylumbelliferone glucuronide 4-Methylumbelliferyl glucuronide 4-Nitroaniline 4-Nitroaniline 74959 90830 87613 109450 99504 152203 66062 4-Propylphenol 4-Propylphenol 20888 23747 31795 20337 20966 4-(Trimethylammonio)but-2-enoate (E)-4-(Trimethylammonio)but-2-enoate 67375 85910 60314 58399 82584 79541 71965 4-Trimethylammoniobutanoate 3-Dehydroxycarnitine 132947 152710 133071 138327 126187 114891 134973 5_6-Dihydrothymine Dihydrothymine 578042 550578 571039 576485 686327 744621 599137 5-Aminolevulinate 5-Amino-levulinic acid 84273024 85190640 83068624 85145320 106804400 82599752 83429040 5-Guanidino-2-oxopentanoate 2-Oxoarginine 596680 557832 711050 715340 693167 893559 886858 5-guanidino-3-methyl-2-oxo-pentanoate 1247480 1043744 1605996 1610890 1602465 2032227 1804147 5-Hydroxyconiferaldehyde 5-Hydroxyconiferaldehyde 101113 124480 111810 129093 137181 91115 98696 5-Hydroxytryptophol 5-Hydroxytryptophol 5-Methylcytidine 5-Methylcytidine 79156 83671 84348 80930 136675 100929 107000 5-Methyltetrahydropteroylpentaglutamate 5^-methylthioformycin 774958.3750 905072.0625 780598.2500 839293.4375 1151021.1250 703578.7500 911120.5625 5-O-Methylembelin 5-O-Methylembelin 79489.4922 63916.8398 94164.2109 78045.2578 112829.4688 90055.4453 96868.5078 (+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1_2_3_4-tetrahydro-1- naphthol 138649.9375 133638.0625 106731.6953 134730.4688 149336.1719 125523.3672 121405.7578 6-(Allylthio)purine 6-Amino-2-oxohexanoate 2-Keto-6-aminocaproate 253173 222918 221076 207557 241465 215761 208858 6-Keto-decanoylcarnitine CAR 10:0;6oxo 7_8-diketopelargonate 15517 24976 46215 26110 20708 17405 8-Oxocoformycin 71308.8203 70179.9453 74255.7344 77012.9922 138243.3594 69559.4375 71102.4453 Acetyl-CoA Acetyl-CoA acidomycin a Cysteine adduct 36218 45273 27134 23534 37939 43537 26495 Adenine Adenine 26724 44602 26512 25762 43920 46829 41597 Adenosine Adenosine 28385.5859 40871.5820 24360.1211 27667.9395 63174.4453 24539.9082 24095.0273 Ala-Ala-Ala Ala-Ala-Ala 27195 27010 49474 58656 69619 37984 Ala-Ala-Ala-Asp 986013.5000 929222.5625 1129794.1250 1174256.2500 1789519.7500 1186407 1243297.5000 Ala-Ala-Ala-Ser Ala-Asn-Ser Ala-Asn-Ser 65433.7656 Ala-Asp-Cys Ala-Asp-Cys 28300.1367 23709.7715 63880.1992 83062.9609 Ala-Asp-Gly Ala-Asp-Gly 16925.9121 29333.5977 39414.2734 20457.4707 103058.6953 21971.7578 36606.0625 Ala-Gly-Pro Ala-Gly-Pro 551504 515433 473855 532544 1156267 527464 508488 Ala-Gly-Tyr-His 107529.0781 106537.1875 113402.2813 97032.6016 96809.4453 103341.6172 102730.0859 Ala-Lys-Asp-Pro Ala-Pro Ala-Pro 13403 18127 Ala-Thr-Ala-Ala 364186.9688 386884.4375 447530.6563 382770.5313 1240017.1250 271886.9375 342393.9688 Aldicarb Aldicarb 168144 152005 213960 226406 184347 245186 248114 Alliin Alliin allopurinol Allopurinol allylcysteine S-Allylcysteine alpha-Sinensal Sinensal 22396 32522 26581 33763 20844 18613 AMCC N-Acetyl-S-(n-methylcarbamoyl)cysteine AMP AMP Anthenoside A 2102682.7500 2439777.2500 2131707.5000 2373924.5000 3059959.5000 3308088.7500 2105444.2500 Asn-Cys-Cys Asn-Cys-Cys Asn-Leu-Asn-Tyr 198379.4688 189535.9219 178049.4063 168687.4688 533442.5000 159178.7344 167212.6563 Asn-Val-Asn-Ser 78791.3516 Asp-Arg Asp-Arg Aspartyl-L-proline Asp-Pro Asp-Cys-Cys-Ser S-Glutathionyl-cysteine Asp-Gly-Arg Asp-Gly-Arg Asp-Met-Asp-Gly Asp-Pro-Ser-His 322382.5625 290452.0938 275161.6563 289893.0938 234082.8594 341886.3125 285412.3125 Asp-Thr-Cys-Cys Benzyl (2R_3S)-2-methyl-3-hydroxybutanoate 53591 beta-D-Digitalopyranose Digitalose Betaine Betaine 5773350 5752853 5679872 5866465 5454257 5541823 5812779 Betaine aldehyde Betaine aldehyde 225082 238389 207053 226245 202444 182069 223171 Biotin Biotin 530190 538859 498659 495947 1331464 482425 498300 Bis(2-ethylhexyl)phthalate Bis(2-ethylhexyl)phthalate 762708.8750 818151.8750 737507.3750 768720.6875 822583.1875 786989.2500 753348 Botrydial Botrydial 33318.5664 Brunfelsamidine Brunfelsamidine 255428 229635 251733 253862 391005 242705 225480 butyrylcholine Butyrylcholine 212381 50019 73747 22635 Caproylcholine Caproylcholine 18514 16591 24190 27357 18171 18485 Capryloylglycine Capryloylglycine 137467 164520 142465 155583 164415 131836 103615 CAPS 5919282 5976860 6112608 5881481 13928497 6066313 5690068 Carnosine Carnosine 140446 119192 162851 149505 430298 109583 127820 Casein K 480433 461625 572423 639004 655066 717894 691228 CDP-choline CDP-choline CHAPS CHAPS 5822798 6103917.5000 5953832 5725242.5000 13944475 6352889.5000 5971009 Choline phosphate Choline phosphate 7201913 7387195 6793144 7155082 8484875 6603255 7362933 CMP CMP CMP-N-trimethyl-2-aminoethylphosphonate CMP-2-trimethylaminoethylphosphonate CoA Coenzyme A Convicine Convicine Creatinine Creatinine 6633171 6766566 6761574 6610955 6933438 6593034 6560701 CTP CTP Cycasin Cycasin 213353 220612 200308 202983 550619 209784 214662 Cys-Cys-Gly Cys-Cys-Gly 39011.5273 26084.6133 72528.4688 32620.6055 120197.9922 49051.4883 61438.9102 Cys-Lys-Cys-His Cys-Lys-Phe-Trp 119625.9531 120652.6875 108591.3281 126033.5156 125172.9531 96757.9062 104335.5234 CysteineMercaptoethanol disulfide Daminozide Daminozide D-Apiitol Apiitol 24301 18976 19711 24201 19665 29041 Dehydrojuvabione Dehydrojuvabione 60050.5625 59544.7578 69486.8047 69133.0625 63115.4570 66121.7188 51564.3477 Deoxycytidine Deoxycytidine DG(P-32:1) DG P-32:1 D-Histidine D-Histidine 5408806 5449345 5073936 6248382 4726004 3421163 5530946 Diacetylhydrazine 660446 355621 545745 557980 488234 595353 629487 Diethyl 2-methyl-3-oxosuccinate 4-Heptenal diethyl acetal 13827 Diisononyl phthalate Diisononyl phthalate 142694.1406 154706.3750 349462.1875 129428.9609 207948.0156 402676.3125 137065.8906 Dimethyl citraconate 20994 17173 21342 20044 26760 26435 22839 Dinor-PGE2 Dinor-PGE2 D_L-5-fluorotryptophan 190013 166590 161141 185648 203065 157983 155481 DL-Methionine sulfone Methionine sulfone 15305 20847 20759 21388 125951 22738 18155 D_L-α-methylphosphinothricin DMSP-amine 126408 68971 64546 61407 86433 41076 Elaeokanine C Elaeokanine C 38290 45634 (-)-erythro-(2R_3R)-dihydroxybutylamide Ethylphosphate Ethylphosphate FA (12:1) Decenedioic acid Decenedioic acid 26011 27825 30337 62598 60033 30751 29508 [FA (18:1)] 9Z-octadecenamide Oleamide 1137484.7500 1142593.2500 1124551.1250 1060286.2500 1107846.7500 1129099.8750 1106497.8750 FAD FAD Fagomine Fagomine 91853 97116 95690 81649 136731 84655 93718 [FA hydroxy(18:2)] 13S-hydroxy-9Z_11E-octadecadienoic acid 13S-HODE 43497.9336 73884.9766 89169.7266 58886.6914 102427.9063 74920.2422 58118.8555 [FA hydroxy(22:4/2:0)] eicosatetraenedioic acid 20-Carboxy-LTB4 24407.5059 [FA methoxy_hydroxy(18:2)] octadecadienoic acid Octadecadienoic acid [FA methyl_hydroxy_oxo(5:2/4:0)] methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate Butyric acid [FA] Methyl jasmonate Methyl jasmonate 97810 64018 40585 56057 87849 63891 49912 [FA oxo(16:2)] cyclopentanehexanoic acid 33531.3633 44937.1289 40586.8438 22804.2656 22096.9883 FA oxo(21:0) 41452.6875 45304.3984 21741.6641 21012.3789 FA oxo(7:0) [FA oxo_amino(6:0)] 3-oxo-5S-amino-hexanoic acid (S)-5-Amino-3-oxohexanoate 143065 144855 157774 156770 182146 136029 169308 Folate Folic acid 128547.2891 138287.0469 146710.8906 132348.8438 252831.9688 119301.7969 120928.6641 gamma-Glutamyl-beta-aminopropiononitrile gamma-Glutamyl-beta-aminopropiononitrile 661127 651218 672556 675259 2128817 651297 660006 Gamma-Glutamylglutamine gamma-Glutamylglutamine 201451.0781 256799.5469 163459.8750 235210.4531 523581.2188 279401.6250 299567.7813 Gammaglutamylornithine gamma-Glutamylornithine gamma-L-Glutamyl-D-alanine gamma-L-Glutamyl-D-alanine 191311 163950 157865 193409 457480 252957 209304 gamma-L-Glutamyl-L-cysteine gamma-Glutamylcysteine GDP GDP Glu-Arg Glu-Arg 280005.7188 303202 292756.3125 298476.0625 651015.3750 342980.4375 326638.8750 Glu-Arg-Pro Glu-Arg-Pro Glu-Glu Glu-Glu 62751.1289 Glu-Lys-Asp-Pro Glu-Met Glu-Met 75229.2109 Glutarylcarnitine CAR DC5:0 28740.0195 23038.5781 18357.5547 33975.4922 16681.6895 51134.6914 Glutathione Glutathione Glutathione disulfide Oxidized glutathione Glu-Thr-Thr Glu-Thr-Thr Glycyl-leucine Gly-Leu 16988 23070 Glycylproline Gly-Pro 17972 27376 17598 25083 13567 17991 Guanidinoacetate Guanidoacetic acid 143004 133770 134300 126700 149388 133045 130054 Guanine Guanine 18892 17721 21638 23894 81334 17819 18295 HEPES 516722 285108 476586 700687 916732 556287 323703 Herniarin 133507 139766 182482 123779 174320 119614 138714 Heterodendrin Heterodendrin 17628.3945 Hexanoylcarnitine CAR 6:0 histidine methyl ester 18294 18479 22053 46171 18559 homodihydrocapsaicin Homostachydrine (S)-Homostachydrine 64979 85183 115620 73558 82746 69651 78887 Ile-Ala Ile-Ala Ile-Arg Ile-Arg Ile-Asn Ile-Asn 21117 22704 21378 49377 57053 54267 Ile-Ile-Pro Ile-Ile-Pro 203373.3906 198240.1875 206886.5938 197991.8594 386519.4688 205268.6875 204936.8281 Ile-Lys Ile-Lys Ile-Lys-Pro Ile-Lys-Pro Ile-Lys-Ser Ile-Lys-Ser Imidazole-4-acetate Imidazoleacetic acid 23401 28256 53325 59671 60151 57928 61471 indigo 6921.3672 9582.9316 6218.7231 18165.4180 447448.2500 10098.1856 8387.1113 Indole Indole 35450 28580 21771 25124 80393 29589 30648 Indolelactate Indolelactic acid 102194 108923 99920 91889 229074 104801 95290 Inosine Inosine Iridodial Iridodial 27020 31547 46227 69356 77367 46275 27148 Isonicotineamide 86739 61257 69640 78211 63269 50436 56948 LacCer(d18:0/14:0) LacCer 18:0;O2/14:0 134963.9531 139063.6250 150837.2188 161709.7500 275911.2813 194758.7031 141258.2656 L-Alanine Alanine 10959104 10577682 10433416 10736687 15229593 12506439 11092006 L-Arginine Arginine 73386112 68491808 66734568 66832624 67943936 67125944 66465572 L-Asparagine Asparagine 8019585 7336751 8138926 7554707 14845147 7532640 7425207 L-Carnitine Carnitine 1018697 969567 964712 1018908 1008733 948834 1018334 L-Citrulline Citrulline 824561 671222 774223 765098 1364875 788787 733853 L-Cystine Cystine 5736094 5802943 5923751 5313963 17777560 5721834 5758704 L-Djenkolic acid 107175 97119 110295 120147 205746 99459 75104 Leu-Ala Leu-Ala 54522 39674 49639 50969 41024 56921 61257 Leu-Pro Leu-Pro 59196 48536 L-Formylkynurenine N-Formyl-L-kynurenine 142746 173687 157397 156521 566389 143410 169683 L-gamma-glutamyl-L-isoleucine gamma-Glutamylisoleucine 66383.0703 65778.8359 33416.7031 56756.6836 861998.3125 61360.9844 54081.8633 L-Glutamate 5-semialdehyde L-Glutamic-gamma-semialdehyde 156985 179918 150668 162411 226778 137956 151036 L-Glutamine Glutamine 239653872 242275760 235341456 256639968 338371008 269874592 244865616 L-Histidine Histidine 946820 965909 860032 1070119 923346 921752 913717 Linoleamide Linoleamide 635446.6250 773632.7500 734143.0625 650477.2500 658997.8125 811806.5000 620047.3750 L-Isoleucine Isoleucine 35801288 35280944 38350420 38479172 77931304 37347596 36399096 L-isoleucyl-L-proline Ile-Pro 75310 65792 63113 75081 84886 72386 92931 L-Kynurenine Kynurenine 1048177 1191269 1019050 1051209 3186706 1099295 1068594 L-Leucine Leucine 29996082 29646826 30851452 31871900 70029248 32129256 31501736 L-Lysine Lysine 6082216 6198420 6770590 6461000 6355009 6870529 7018350 L-Methionine Methionine 19596564 19256822 19927308 20682020 39548852 20980960 20867896 L-Ornithine Ornithine 1122461 1131708 1233239 1118234 1225825 1144902 1273567 L-Phenylalanine Phenylalanine 11030713 10573291 11005237 11892472 30062476 11877681 12407573 L-Proline Proline 107713888 106196496 107432160 106170200 138077008 106093568 109237368 L-Serine Serine 1430515 1472750 1521371 1585770 2564396 1833010 1719196 L-Threonine Threonine 6510010 6175677 6998634 7888770 14074848 7263547 7070241 L-Tryptophan Tryptophan 1015277 982364 1099907 1164991 2766488 1235506 1168346 L-Tyrosine Tyrosine 6580430 6748794 6719809 7498481 22658448 6884139 6870661 Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4^-O-beta-D- glucuronide L-Valine Valine 9082579 8801242 9254467 9918679 18889430 10008881 9929591 [LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine LPC 14:0 LysoPC(16:0) LPC 16:0 35949.1836 17010.3574 LysoPC(16:1(9Z)) LPC 16:1(9Z) [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine LPC O-16:0 LysoPC(18:1) LPC 18:1 Lys-Val Lys-Val 18274 15983 18089 19853 24200 19928 17529 Melochinone Melochinone Methacholine Methacholine 37488 48067 58873 58366 31605 56243 44432 Methyl5-(but-3-en-1-yl)amino-1_3_4-oxadiazole-2-carboxylate 19216 25125 44380 27252 53567 46021 25581 Methyl acetyl ricinoleate 43578.6836 38360.3281 Methyl cinnamate Methyl cinnamate 60453 67968 245095 57350 89661 73015 57875 Methylenediurea Methylenediurea 24033 22775 29689 61106 70832 38158 28742 Methylimidazoleacetic acid Methylimidazoleacetic acid 109705 97859 112810 111283 117894 140747 115705 Methylitaconate 746427 762104 751869 802903 951155 777548 830176 MG(0:0/16:0/0:0) MG 0:0/16:0/0:0 74289.9141 66939.6172 40479.7461 43662.2773 154011.0625 37957.6992 39399.8906 MG(0:0/20:2(11Z_14Z)/0:0) MG 0:0/20:2(11Z,14Z)/0:0* 27083.2988 Militarinone A Militarinone A 1175425.8750 1006687.1250 1267917.3750 1225821.5000 937341.5000 824832.4375 941426 Millettone Millettone MOPS 199369 Mukaadial Mukaadial 17933.5312 120089.0547 23910.1543 21034.4531 N2-Acetyl-L-aminoadipate N-Acetyl-2-aminoadipic acid 45773 38405 45485 56878 105757 40730 41459 N2-(D-1-Carboxyethyl)-L-arginine D-Octopine 129102 136184 119119 105408 151776 101978 99462 N-(2-hydroxynonadecanoyl)-phytosphingosine 54348.1328 77585.5469 31808.4414 N2-N2-Dimethylguanosine N2,N2-Dimethylguanosine 59116.5156 63666.0156 51957.6484 63517.2070 144347.2500 54523.6641 65178.0586 N3-hydroxyethylcytosine 1700181 1696038 1772362 1999295 2169381 1812689 1677125 N-(3-oxooctanoyl)-L-homoserine 21171 16820 N4-Acetylaminobutanal N4-Acetylaminobutanal 35720 29399 23881 49906 59130 48129 44282 N4-(Acetyl-beta-D-glucosaminyl)asparagine Aspartylglycosamine N6-Acetyl-L-lysine N6-Acetyllysine 131150 138290 109195 97202 185950 112919 137367 N6-Methyl-L-lysine N(6)-Methyllysine 49025 58767 51482 48480 44612 47591 47043 N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 284935 284530 271017 296423 299632 265250 260332 N-Acetyl-D-glucosaminate N-acetyl-glucosaminic acid N-Acetyl-D-glucosamine N-Acetyl-D-glucosamine 20011 34734 19701 78842 42445 22712 N-Acetylglutamine N-Acetylglutamine 64243 52117 104468 83927 147455 114727 87489 N-Acetyllactosamine N-Acetyllactosamine N-Acetyl-L-citrulline N-Acetylcitrulline 48313016 41955880 50173972 46238448 68149336 35001360 44319940 N-Acetyl-L-glutamate 5-semialdehyde N-Acetyl-glutamate 5-semialdehyde 24866 20092 21452 20360 N-Acetyl-L-histidine N-Acetylhistidine 2207019 2215722 2238566 2130600 2163745 2034099 2174546 N-Acetyl-L-phenylalanine N-Acetylphenylalanine 35308 59988 26067 44194 73779 27938 36261 N-Acetylmuramate N-Acetylmuramic acid 147442.1563 180145.3594 190331.1875 173388.9688 365641.6250 182699.3750 339162.0313 N-Acetylornithine N-Acetylornithine 352083 375897 350424 345116 730077 311221 336088 NAD+ NAD Nalpha-Methylhistidine N-Methylhistidine N-Carboxyethyl-g-aminobutyricacid N-Carboxyethyl-gamma-aminobutyric acid 21011 20811 17688 21861 24772 18383 25218 Ne_Ne dimethyllysine N(6),N(6)-Dimethyl-lysine 93900 95218 96176 98351 93935 97546 95672 Neuraminic acid Neuraminic acid N-Formimino-L-glutamate Formiminoglutamic acid 20652 21272 54916 14556 NG_NG-Dimethyl-L-arginine Dimethylarginine 871506 847976 775974 867800 969491 781137 764707 N-Heptanoylglycine N-Heptanoylglycine 168604 166415 168862 124808 177866 156573 152222 N-hydroxyisoleucine N-hydroxyisoleucine 150099 165941 208216 160498 241034 158133 156929 Nicotinate Nicotinic acid 19534 24530 26784 24234 25019 22009 24964 Nicotine Nicotine 128432 132280 122059 117320 111193 126824 120114 N-Methyl-2-pyrrolidinone 2-Pyrrolidinone 58832 58381 65386 64741 61784 60983 48926 N_N-dihydroxyisoleucine 15219 53413 N_N-dihydroxyvaline 17014 38401 N_N-Dimethylglycine Dimethylglycine 243698 251508 250895 254070 530016 249820 247548 N(pi)-Methyl-L-histidine 3-Methylhistidine 1232987 1241660 1268490 1273113 1373555 1205891 1200155 N-Undecanoylglycine N-Undecanoylglycine 315671 393419 324968 670050 403303 609528 415802 O-Acetylcarnitine CAR 2:0 442019 438231 373423 371588 394268 386874 401755 O-Acetyl-L-homoserine O-Acetyl-homoserine 76253 66014 68188 83968 137378 82079 78979 O-Butanoylcarnitine CAR 4:0 194500 170450 208020 191193 172997 163312 180724 Octadecanamide Stearamide 515915.8125 925377.2500 784682.3125 791228.6875 631895.8750 765101.6875 563471.3750 Ophthalmicacid Ophthalmic acid Orthophosphate Phosphoric acid 64795 64456 57473 59057 321817 60774 68798 Palmiticamide Palmitamide 336929 433484 429877 433446 362747 385685 396994 Pantothenate Pantothenic acid 3886694 3947274 3851140 3896761 7256478 3842553 3944791 [PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine LPC P-16:0 or LPC O-16:1 PC(34:1) PC 34:1 504239 542024.1875 579848.1250 538008.3125 950626.5000 524547.3125 571131.5000 PC(34:2) PC 34:2 104495.5703 122589.0469 128371.7109 98129.5312 156277.3281 101968.1172 108634.4531 PC(36:2) PC 36:2 191644.2656 204138.2969 191714.2031 183567.1250 332136.3750 175480.5156 194192.5781 [PC acety] 1-acetyl-sn-glycero-3-phosphocholine PC(P-34:0) PC P-34:0 Phe-Gly Phe-Gly 137409 105151 154177 165408 136873 178577 167757 Phenylethylmalonamide Phenylethylmalonamide 130297 121528 208216 182125 153459 206939 207762 Phosphocreatine Phosphocreatine Phosphodimethylethanolamine N,N-Dimethylethanolamine phosphate Picolinamide Picolinamide 83592352 75723728 79609312 82232000 86513504 78160904 75988456 Precocene 2 Precocene II 108530 67049 93055 63799 119739 94714 93935 Psicofuranin Angustmycin C 56715.9219 59635.0430 53867.1602 60589.7695 166382.4844 61952.3516 70437.7031 psicoselysine Psicosyllysine 62698.0508 51171.4336 68521.2031 68200.7031 119486.1328 97035.9141 98122.3125 Pyridine-2_3-dicarboxylate Quinolinic acid 17006 12708 16279 21360 24688 16484 13449 Pyridoxal Pyridoxal 417755 408651 381766 376345 431126 305134 351734 Pyridoxine Pyridoxine 17734518 18608402 17460014 18661390 14938673 17777930 17519702 Riboflavin Riboflavin 108787.2188 115891.6484 121868.9531 96509.1094 439079.8750 108491.9844 112653.9844 (S)-1-Pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 203955 180287 226946 147566 213074 172529 167821 S-(2-Hydroxyethyl)-N-acetyl-L-cysteine N-Acetyl-S- (2-hydroxyethyl)-cysteine S-Adenosyl-L-homocysteine S-Adenosylhomocysteine 129421.1094 (S)-ATPA (S)-ATPA 263401 310443 284658 254829 355244 284463 264839 Slaframine Slaframine 89122 80862 83654 90993 79965 77873 75570 SM(d18:1/24:1(15Z)) SM 18:1;O2/24:1(15Z) 161550.0156 156639.9688 179706.3906 161123.2656 328567.4688 169514 156255.2500 SM(d32:1) SM 32:1;O2 33372.2969 79119.0078 SM(d34:1) SM 34:1;O2 290096.1563 347902.5938 327935.2188 321887 682573.8125 342239.0625 315175.8750 SM(d40:1) SM 40:1;O2 83833.1016 113432.1797 75819.3906 47339.5664 152868.6094 109329.8984 80457.5312 sn-glycero-3-Phosphocholine sn-Glycero-3-phosphocholine 2188451 2221948 2119839 2273828 3143047 2214673 2270481 [SP (14:0)] 1-deoxy-tetradecasphinganine Xestoaminol C 76808 71728 91036 96129 59195 110171 85945 SP (4:0) 101288.3047 148538.1719 157876.2344 140747.5156 113927.7109 112304.6172 95028.1328 [SP hydroxy_hydroxy_methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol 40531.8125 41144.4219 67014.7422 50765.9805 76485.1016 60836.1758 66891.0938 [SP] Pramanicin Pramanicin [SP] Sphing-4-enine Sphingosine 16505.7695 35184.7188 39524.1367 60933.1836 37461.2383 34387.1523 21934.9062 [ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one Androsterone Tetranor-PGE1 Tetranor-PGE1 Thiamin Thiamine 795952.1250 831403.9375 572070 717297.4375 755945.7500 714741.0625 690037.3125 Thiamin diphosphate Thiamine diphosphate Tributyl phosphate Tributyl phosphate 50278.2148 35840.3398 37091.8086 40403.9531 327563.8438 70297.6875 70520.5781 Trimethylaminoacetone Trimethylaminoacetone 575717 420186 567186 562818 534186 523523 600649 Undecanoylcholine Undecanoylcholine 21924.0156 21162.6523 31706.1641 52641.6602 50669.2422 44341.7539 38715.2852 Urethane Ethyl carbamate 52272 26944 54080 52841 63339 27433 52476 Urocanate Urocanic acid 104913 325232 145268 254686 256515 305865 121954 Vinylacetylglycine Vinylacetylglycine 67016 60818 77974 65791 143544 63092 68021 ZAPA ZAPA 168893 141794 187698 165187 259182 215490 180789 α-(2_6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate γ-glutamyl-S-t-propenylcysteine ε-aminocaproamide N-Acetylputrescine 70883 82701 129808 93855 108565 113453 91227