Metabolite_name RefMet_name CP_labcontrol_1 CP_labcontrol_2 CP_labcontrol_3 CP_labcontrol_4 M_labcontrol_1 M_labcontrol_2 M_labcontrol_3 M_labcontrol_4 CP_labisoprenaline_1 CP_labisoprenaline_2 CP_labisoprenaline_3 CP_labisoprenaline_4 M_labisoprenaline_1 M_labisoprenaline_2 M_labisoprenaline_3 M_labisoprenaline_4 Factors - treatment:Control_13C-Glucose_4hr treatment:Control_13C-Glucose_4hr treatment:Control_13C-Glucose_4hr treatment:Control_13C-Glucose_4hr treatment:Control_13C-Glucose_4hr treatment:Control_13C-Glucose_4hr treatment:Control_13C-Glucose_4hr treatment:Control_13C-Glucose_4hr treatment:Isoprenaline_13C-Glucose_4hr treatment:Isoprenaline_13C-Glucose_4hr treatment:Isoprenaline_13C-Glucose_4hr treatment:Isoprenaline_13C-Glucose_4hr treatment:Isoprenaline_13C-Glucose_4hr treatment:Isoprenaline_13C-Glucose_4hr treatment:Isoprenaline_13C-Glucose_4hr treatment:Isoprenaline_13C-Glucose_4hr 10-oxogeranial 2943266 1954127 2523832 1690506 175304 189204 199972 188093 2265196 2280542 2446431 2332048 222084 56641 242383 172318 1_2-Dihydroxymint lactone 1,2-Dihydroxymint lactone 1247993 1380998 1741336 1473787 14580 24814 12168 11675 1008515 1156311 3254422 2069480 13138 13026 13192 12170 1_3_5-trimethoxybenzene 1,3,5-Trimethoxybenzene 8929149 8207051 8584093 7860945 345825 326766 342589 317667 7854498 8038718 7314239 8126456 307811 208374 403199 368219 1-4-beta-D-Glucan 1,4-beta-D-Glucan 153519 113367 93735 85309 233180 178263 122302 219321 137989 90713 102954 66667 50742 144249 1_6-Dihydroxy-5-methylcyclohexa-2_4-dienecarboxylate 12163973 14111370 12845167 11066023 14319312 12258650 11501201 13440991 101628 1_8-Diazacyclotetradecane-2_9-dione 1,8-Diazacyclotetradecane-2,9-dione 29265360 30370822 28439312 30878526 40276124 37200132 35493828 33336914 29550580 27812494 26502676 28316672 39620168 34050792 37380000 38397148 1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide 3522814 2111723 2832768 2934082 116101 145780 107188 116923 2544322 1622705 1764196 2829102 117109 71165 115857 94631 1H-Imidazole-4-ethanamine Histamine 136729 113647 105263 115917 132424 115181 97984 109099 155846 143654 225336 125815 149178 135834 143679 122064 1-methylguanosine 1-Methylguanosine 526830 263655 421247 372122 245118 215486 155206 186249 486700 241277 304270 436013 234244 75719 171111 171922 1-Methylhypoxanthine 1-Methylhypoxanthine 1153661 647137 1046189 812431 173875 179974 136735 130054 1004851 462592 686346 901412 200708 24790 154373 195870 1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one 40563 26053 27476 175156 182476 173249 169033 38564 38821 25281 27999 201428 81761 179388 147903 1-Pyrroline-2-carboxylate 1-Pyrroline-2-carboxylic acid 3977371 3675312 2700586 4478069 66051 58230 47644 64490 2931549 4566229 2376062 2634406 41147 52464 40288 47160 (1-Ribosylimidazole)-4-acetate Imidazoleacetic acid riboside 274824 139643 305609 120227 65051 36657 96619 63996 280437 172157 184951 228465 116848 2-(2-Methoxyphenyl)-4H-furo[2_3-h]-1-benzopyran-4-one 134296 380758 278777 313742 234006 292618 243946 314931 2_3_4_5-Tetrahydrodipicolinate 252723 256022 189053 232690 224714 160089 147274 221109 2_3_5-Trihydroxytoluene 2,3,5-Trihydroxytoluene 914951 974623 1022745 585337 15538 821704 1203165 1302039 560327 2_3-Diaminosalicylic acid 2,3-Diaminosalicylic acid 97834 78257 121220 114885 100017 97232 87611 87353 2_3-Dihydroxycyclopentaneundecanoic acid 183695 258892 204910 269934 209625 176924 139228 123004 255483 209329 164027 278042 233891 108608 110445 252316 2_3-Dimethylmaleate Dimethyl maleate 519602 104163 989829 1936130 1125816 1384594 593973 562415 84382 2364723 499133 302672 240377 2_4_6-Trihydroxytoluene 2,4,6-Trihydroxytoluene 955860 896244 937840 867717 8454 10029 24097 901505 844951 748990 965122 25699 11284 2_6-Dihydroxyphenylacetate 1273704 1299393 2291058 2090821 1513294 1549548 967115 2438287 2_6-Dimethylaniline 2,6-Dimethylaniline 238046 261250 252276 236849 353677 344343 323390 309132 224064 264411 216719 240138 336694 262890 331121 435953 2-acetamidoglucal 447501 442556 619050 370071 132096 143025 110642 133213 659524 185379 388944 401629 166424 63691 106897 106299 2-(Acetamidomethylene)succinate 1070148 316713 108108 906597 87477 1070902 207555 2-butyl-4-hydroxy-5-methyl-3(2H)-furanone 2008775 1018631 2033362 732046 22054 20890 25855 21450 958557 1239181 1758024 1101795 22378 17500 24230 24776 (2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanone 1770154 1736697 2102961 1999039 69945 51441 52804 49306 1717837 1806777 1877518 2487561 63875 62764 58192 59496 2-Hydroxy-1_3-dimethoxy-8_9-methylenedioxycoumestan 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan 91256 86389 88415 82206 51713 106607 72387 67440 2-hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one 1095035 1201370 1051296 1119685 1228204 1172713 914468 1196979 2-Hydroxy-6-oxo-7-methylocta-2_4-dienoate 3579194 2135236 2285564 2152451 9630 9694 11261 10330 1124440 1714229 974919 3457235 9052 6505 2-Hydroxy-6-oxoocta-2_4_7-trienoate 1184612 1041930 865518 885465 875605 340116 255358 1165563 2-Hydroxy-6-oxo-octa-2_4-dienoate 2916574 2077174 2559640 2504462 3394460 4552432 1459758 2435050 2-Hydroxyadenine 2-Hydroxyadenine 331543 152308 195280 148364 168635 191384 122402 139966 204098 131970 147303 225149 197006 60042 140234 199498 2-Hydroxycyclohexan-1-one 2-Hydroxycyclohexan-1-one 582907 708255 721704 453815 13948 9845 13371 12109 748633 689556 679042 469471 21223 14038 12698 11524 2-hydroxypurine 3393392 272665 1525380 1085500 307294 213983 230633 246691 595138 853891 3294421 397097 263136 130916 184559 260788 2-Isopropylmaleate Isopropylmaleate 127102 80304 98886 87358 135726 120303 111321 119723 124973 105971 88094 88399 136869 67618 115055 106543 2-Methylbutyroylcarnitine CAR 4:0;2Me 5002612 4003814 4848401 3818846 61541 136219 148596 110244 3997971 4385067 4111983 4624038 143190 105017 166146 156173 2-Methyleneglutarate 678875 386114 643055 763007 670418 675702 865289 1351724 310585 267933 129054 2-Octenedioicacid 2-Octenedioic acid 4760455 8935034 10044500 6132537 25009 25556 25233 22000 6701098 12770136 11984148 5407785 21475 25662 13994 21207 2^-O-Methyladenosine 2'-O-Methyladenosine 1268958 956828 842894 1140879 73090 131139 72359 903031 643533 689520 856927 149773 2-O-Methylcytosine 2-O-Methylcytosine 110180 69366 113716 77535 135340 167178 133648 160629 97759 79565 78758 82631 149789 75550 125665 145568 2-Oxo-4-hydroxy-5-aminovalerate 2286551 1323363 1775240 1860339 84000 40889 73512 88104 1986806 1019311 1092430 1632643 87941 33695 46735 92547 2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate 909751 940533 836098 1007243 116929 109273 104368 116564 1290019 837779 1694796 1033208 97724 81645 106824 116811 2-oxopenta-3_4-dienoate 683350 660990 580887 730425 741532 679808 617051 819677 2-oxosuberate 215483 384033 313290 187983 253108 400404 249214 246615 2-S-Glutathionyl acetate 3006407 32599854 17454394 5428054 27856786 4619867 18021550 10455352 3-(2_3-Dihydroxyphenyl)propanoate 465028 513345 626655 502644 41126 42459 46452 31976 513891 646752 476080 604406 42548 40208 41681 43569 3-(3_4-Dihydroxyphenyl)lactate 198088 363967 308866 262494 298036 470840 357719 270403 3_3-Dimethylglutaricacid 2775415 1497998 1118725 2403443 8009 9820 6234 3882416 3240565 2898880 1350839 9122 6290 3_4-Dihydro-2H-Pyrrole-2-carboxylate 916093 584619 794123 846893 163064 199684 238175 368946 760596 543309 505479 739392 181898 134922 197883 129416 3_4-Dihydroxymandelaldehyde 3,4-Dihydroxymandelaldehyde 5215894 4982379 5323767 5643515 5217565 5341371 4413770 5199441 3_4-Dihydroxyphenylacetaldehyde 3,4-Dihydroxyphenylacetaldehyde 270410 445255 514278 276909 311525 416521 416290 309029 3-(4-Hydroxyphenyl)pyruvate 4-Hydroxyphenylpyruvic acid 139710 263306 273116 175282 249413 323832 317901 154549 3_5_7-Trimethyl-2E_4E_6E_8E-undecatetraene 121879 3^_5^-Cyclic AMP 3',5' cyclic AMP 457616 361976 474808 402441 573563 315267 338701 508348 3_5-dihydro-5-methylidene-4H-imidazol-4-one 61090 110522 219101 219399 204899 91332 334700 170639 3_6-Nonadienal 3,6-Nonadienal 1285243 779002 1048952 610435 38984 42403 36431 45064 873940 854166 1032807 1029277 84250 31973 57212 69484 3_7-Dimethyl-2E_6E-decadien-1_10-dioic acid 1882532 1073918 1549474 855439 929746 1459689 1770102 1265060 3-acetyl-3-methyldihydrofuran-2(3H)-one 956038 802697 815857 807143 81611 85602 80831 116952 906841 865640 678466 838452 95212 48932 89217 110493 3-Amino-2-piperidone 3-Amino-2-piperidone 105590 67095 74520 173649 144397 170178 159580 167683 45946 61404 64597 215058 71836 124264 141358 3-Aminobenzenesulfonate 127940 59947 79837 81012 67490 26436 44919 29760 100382 96682 86886 113339 39579 45820 49622 36730 3-Butylidene-7-hydroxyphthalide Phthalide 154865 125607 156017 343235 97795 26080 69716 36664 276718 142382 150192 289999 49140 32007 52751 48808 3-Butynoate 3-Butynoic acid 190937 323465 401651 365311 455042 315795 207263 813784 172501 70990 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid 229377 453095 350822 362890 359690 383619 409581 420157 3-Dehydroxycarnitine 3-Dehydroxycarnitine 184362 151233 149542 145508 336119 290108 261757 298665 203329 133466 151517 172272 330249 144724 277025 282994 3-Dimethylallyl-4-hydroxymandelic acid 729272 537306 636644 549965 614871 616160 445051 692533 3-Ethylmalate 437947 312970 476963 466533 347970 481539 481172 940227 210361 100173 3-Furoicacid 3-Furoic acid 91901 478006 235854 139061 442739 208209 354479 247426 3-Hydroxyanthranilate 3-Hydroxyanthranilic acid 252408 106989 159243 130566 113120 50147 79633 75861 3Hydroxycoumarin 705663 805089 751706 703266 590167 673920 927341 458155 3-Isopropylcatechol 3-Isopropylcatechol 594362 459259 549323 533451 27950 25831 27923 27175 639248 728967 795607 674024 27381 45985 26923 25302 3-Ketosphingosine 3-Ketosphingosine 1148749 736815 677579 923773 544391 71420 825726 429082 710296 760350 112658 315736 58256 113020 3-Methoxy-4-hydroxyphenylacetaldehyde Homovanillin 843788 676577 815959 679326 31012 701813 779443 736471 679600 3-Methoxy-4-hydroxyphenylethyleneglycol Vanylglycol 3890788 6219032 8299408 4263300 9694 9499 5297970 8907263 9792976 3429555 6846 3-Methyl-1-(2_4_6-trihydroxyphenyl)butan-1-one 4-Heptanone 388871 495591 432311 294040 12941 10159 13871 11751 394986 550714 426702 575629 8938 9865 12886 17503 3-Methylglutarylcarnitine CAR DC5:0;3Me 1034154 1224225 1149526 1235392 22043 11102 9389 1147997 1083826 1143264 1445731 8868 11058 12649 12639 3-Methylguanine 3-Methylguanine 877341 493402 433048 488717 705013 704199 557383 601512 553427 369685 356922 574162 794357 217998 601988 662852 3-nitro-2-butanol 1293726 869685 1043002 944134 81065 58407 37097 63688 1035643 599241 686651 956234 113819 37715 57504 58567 3-Oxo-4-methylpentanoic acid 297786 355384 326432 338639 12151 7326 302007 440381 397657 328121 10062 8917 8621 8220 3-(Pyrazol-1-yl)-L-alanine 3-(Pyrazol-1-yl)-L-alanine 1220270 1094518 1254511 930559 2347490 2881963 2279812 2383976 2006978 1383024 1435902 1128058 3857007 1457627 2487277 2356794 (3R)-hydroxy-N-acetyl-(L)-arginine 9222521 14362802 9224259 8125667 20764274 23081744 17207450 11949196 (3S_5S)-carbapenam 731567 297202 496418 527241 68352 37103 51309 67953 303348 294076 225691 314577 62145 22416 49852 57572 3-Ureidopropionate Ureidopropionic acid 381312 417203 411487 301241 1816177 1498573 1757696 1459524 293929 141495 223674 163669 2131693 822922 1110092 1138361 4_8-Dimethyl-1_3E_7-nonatriene 189465 391762 284895 380671 263453 261536 174807 253524 4-8dimethylnonanoylcarnitine 465296 337748 336822 293726 92079 89441 310187 388616 205020 272367 41498 68303 4-Aminobenzenesulfonate 296037 143748 211036 209724 282106 286490 275922 147413 4-Aminobutanoate gamma-Aminobutyric acid 732093 1464193 2056022 681863 428782 434104 381187 430746 1139831 914941 903925 522145 552066 355115 374679 438670 4-fluorotryptophan 1493581 362257 395262 823251 2041134 1919590 1638830 1921094 558559 976442 368562 544821 2149177 1245744 3792208 3445095 4-Guanidinobutanoate 4-Guanidinobutanoic acid 1467620 1254793 4432570 1247873 445300 538654 893489 581315 1797065 1720429 1296162 1247651 654128 297724 210671 233133 4-Hexyloxyphenol 2128789 990281 1553626 880513 67458 59317 58198 69062 1073474 1096487 1549673 1190780 75441 42341 79426 61214 4-hydroxy-5-methyl-2-propyl-3(2H)-furanone 996890 1351877 1362234 759914 38422 30988 41291 38183 1030905 1454141 1327451 733407 32933 39597 37470 34760 4-Hydroxycinnamyl aldehyde (E)-3-(4-Hydroxyphenyl)-2-propenal 126505 177066 138583 167219 120992 163331 138195 151003 4-Hydroxyphenylacetylglycine Hydroxyphenylacetylglycine 203421 160577 274378 200609 213087 167053 304878 177979 4-Hydroxyphenylethanol Tyrosol 2830568 2112294 2534331 1978814 108626 98526 82570 75311 2299769 2089160 2321361 2227784 79127 52180 102595 129533 4-Imidazolone-5-acetate 172211 335629 350447 132057 437275 253054 291187 4-Imidazolone-5-propanoate 4-Imidazolone-5-propionic acid 6364082 2572980 5788543 5049791 4757 5402 5027 4412216 4838174 6182129 4420866 4926 4689 5268 4-Methylbenzyl alcohol 853891 828064 986828 875369 27755 25623 33583 26663 752902 639505 1208896 1149310 31026 29489 34263 35799 4-Nitroaniline 4-Nitroaniline 181093 303921 155909 227316 124248 108722 87470 83126 608387 166183 179355 206146 94432 60052 105466 116697 4-oxo-4-(3-pyridyl)-butanoate 3795069 2543768 2556600 2849652 6481715 5829226 5893650 6290283 3814675 3549684 5213941 3263297 6462543 3909198 6977547 7543394 4-Oxocyclohexanecarboxylate 2250130 2399850 1701993 2606281 64490 35447 60550 36481 2339857 2379655 1984655 2718157 33778 31787 52836 30885 4-Pyridoxate 4-Pyridoxic acid 139545 154471 214673 176111 162226 74181 214938 165393 4-Pyridoxolactone 4-Pyridoxolactone 428444 439066 400734 365903 581883 464747 462703 604264 393320 389583 387789 449324 519384 475298 516582 489489 4-(Trimethylammonio)but-2-enoate (E)-4-(Trimethylammonio)but-2-enoate 251988 181647 244554 309334 119468 102122 90112 98249 191403 198551 168884 208509 100512 61266 59344 74052 4-Trimethylammoniobutanoate 3-Dehydroxycarnitine 6395576 4064990 7238898 5751276 264826 324839 277742 302319 5859858 2859321 3747438 5618809 322573 142002 295266 315234 5_6_7_8-Tetrahydro-2-naphthol 547117 487318 627010 379336 540327 503123 549765 599866 5_6-Dihydrothymine Dihydrothymine 35111 23187 12502 187261 271762 42459 241419 30448 11173 51248 14883 195645 72421 141809 157130 5-Aminolevulinate 5-Amino-levulinic acid 15906201 60800564 19974550 13469707 88100472 181440320 96786960 116357304 66845472 16432989 59506988 17644386 234530752 34761460 23735510 20564828 5-Aminopentanoate 5-Aminopentanoic acid 1104733 1177252 2070417 1006813 1101277 1032470 1057648 1057348 1525332 1148354 1210984 949215 1257618 1046857 870781 809215 5-Guanidino-2-oxopentanoate 2-Oxoarginine 1055252 891708 632767 658399 532702 678106 945950 933056 791866 331639 386253 550184 798616 333724 690363 461805 5-guanidino-3-methyl-2-oxo-pentanoate 798613 1236258 3353938 2521807 2197631 1281966 3553599 2094954 5-Hydroxyconiferaldehyde 5-Hydroxyconiferaldehyde 303991 628986 688606 483324 6483 552757 750705 747969 381522 83417 5-Hydroxyindolepyruvate 5-Hydroxyindolepyruvate 558412 378282 534414 507479 331631 185349 454003 418015 5-Hydroxytryptophan 5-Hydroxy-tryptophan 614014 475650 639879 441289 342269 326715 336100 337066 454571 318422 339882 389839 336129 201659 298725 279199 5-Hydroxytryptophol 5-Hydroxytryptophol 232691 193162 254245 198632 172882 127111 146431 181348 5-Methyl-2-furaldehyde 886041 622094 751088 502633 52095 42633 52899 62807 732021 769042 698066 764995 47567 55489 69723 54908 5-Nitro-2-furfuryl methyl ether 298884 296815 273856 314733 342634 356227 310314 289952 5-Oxo-1_2-campholide 5-Oxo-1,2-campholide 1529538 1742267 2207937 2127520 59400 56866 50910 56782 1423921 1648346 1694796 2405467 57973 51926 51325 49052 (+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1_2_3_4-tetrahydro-1- naphthol 300404 250869 136530 230652 108548 72959 106090 78891 290639 126000 201340 125247 91652 68987 87197 71624 6-Acetamido-2-oxohexanoate 2-Keto-6-acetamidocaproic acid 998980 2103934 1853913 1344772 11055 8644 9120 15559 1458067 2541021 2262742 1047794 11742 10370 13040 10403 6-Amino-2-oxohexanoate 2-Keto-6-aminocaproate 363266 246381 271174 248893 452402 409685 443763 356848 327330 284167 236442 279138 449268 315999 416220 482404 6-endo-Hydroxycineole 6-endo-Hydroxycineole 134611 128729 136145 123030 34995 56465 40469 50101 137317 133316 126901 131381 49324 50251 34606 29052 6-isobutyl-4-hydroxy-2-pyrone 1038405 822711 1039811 1125737 124532 194862 174768 120984 1188804 915608 943711 1338804 188566 153182 158650 201951 6-oxo-1_4_5_6-tetrahydronicotinate 1,4,5,6-Tetrahydro-6-oxonicotinic acid 600342 604012 582275 690536 479879 769425 292018 504576 7_8-Dihydromethanopterin (+)-7-Isojasmonic acid 315325 259236 338188 320136 32529 30896 31758 33331 287238 205586 303140 319250 30417 43581 32483 29728 7-Methyl-2-hydroxy-6-oxoocta-2_4-dienoate Vanylglycol 6423202 6477018 6949807 6174332 72607 41294 41633 78186 6552992 6502718 6172600 6463766 97349 59416 90813 7-Methylguanine 7-Methylguanine 363283 254797 388614 201312 391139 161853 451191 237084 8-Amino-7-oxononanoate 8-Amino-7-oxononanoic acid 10849536 11472697 10632492 11348483 2802784 3154058 3001463 2611105 12941451 10529463 9431813 11718633 3358336 1754133 2924573 3108653 8-Oxocoformycin 1493473 889543 1476755 1078427 417029 463599 287034 335468 1496040 722317 868342 1346165 421373 166397 280162 373515 9-Oxononanoic acid 9-Oxo-nonanoic acid 161191 193492 247656 211948 33906 21317 15307 22951 210997 180741 175290 256803 27458 26746 23405 23560 9S_15S-dihydroxy-11R_18-diacetoxy-5Z_13E-prostadienoic acid 18-Acetoxy-PGF2alpha-11-acetate 570026 408764 668403 411424 557200 496758 720839 487930 (Ac)2-L-Lys-D-Ala (Ac)2-L-Lys-D-Ala 216230 285991 273013 195871 296032 162511 219906 258662 Acetoacetate Acetoacetic acid 493431 514555 441406 465058 682744 634671 530190 722097 Acetyl-CoA Acetyl-CoA 578758 1412900 735862 685218 1305753 355419 1080133 568696 Acetylpseudotropine 125021 158823 167498 154533 12111 10347 10581 19781 206324 261383 322154 129118 8725 25551 15601 11124 Adenine Adenine 635159 742190 1386419 1500719 33347 71661 30380 71535 1317258 764756 336935 922105 33776 24202 65170 70132 Adenosine Adenosine 11484964 23271832 34710892 34818172 81059 79330 99087 74989 44008800 18034512 7055475 30948944 97787 67461 84226 80573 Ala-Ala-Ala Ala-Ala-Ala 196720 208309 221623 104037 68970 108785 Ala-Ala-Ala-Asp 493525 963416 826371 2206125 232123 1307124 1367734 284930 2156596 170649 3436289 302637 281905 122107 Ala-Ala-Ala-Ser 479665 1321852 833060 575803 1168017 475112 787993 744597 Ala-Asn-Ser Ala-Asn-Ser 231498 377864 1049042 469355 181757 490546 217862 565084 615578 197344 Ala-Asp-Cys Ala-Asp-Cys 1590670 2452935 1555239 1519887 39613 29554 81311 87413 2534752 915111 1026458 1428931 109028 18210 Ala-Asp-Gly Ala-Asp-Gly 294244 173624 242889 65313 22634 136532 28470 18565 339219 115776 285314 182316 320977 Ala-Cys-Ser-Ser 358891 386686 406957 419035 343461 262662 247237 229375 Ala-Gly-Pro Ala-Gly-Pro 288066 250990 229926 233476 1644643 1445431 1307450 1380782 414097 336392 307604 252295 1519044 740738 1496464 1340641 Ala-Leu-Met-Ser 651048 523935 572510 507521 266592 320274 245266 292695 854958 768457 553010 543074 367711 74439 326724 238556 Ala-Lys-Trp-Val 95506 72353 68706 69650 110717 72434 79316 85485 111210 86423 65163 61842 77979 110067 81317 74893 Alatanin 2 Alatanin 2 21741 27346 11520 24366 12086 23243 15538 24863 21850 Ala-Thr-Ala-Ala 93709 3102771 3344905 575617 3767749 150198 2895957 1009519 212120 238509 Aldicarb Aldicarb 121306 200452 272248 338778 284932 134346 452817 279402 Alliin Alliin 3320922 584974 2477939 1412877 1805622 1479196 2046713 1117942 allopurinol Allopurinol 819300 576727 678834 489874 504164 522949 416246 509401 758224 338385 476587 568150 549166 165795 416688 494598 Allylisothiocyanate Allyl isothiocyanate alpha-Methylstyrene 641819 413910 621920 401458 2849852 2392839 2372369 2212754 432424 443766 647202 597034 3159088 3821250 5353953 4534951 AMCC N-Acetyl-S-(n-methylcarbamoyl)cysteine 3687848 1866434 3505049 2939966 3447104 3192031 3696133 3341261 AMP AMP 537396 3551827 1974514 1800452 4170415 834998 901598 2215071 39040 Anthenoside A 6590072 7020885 7040297 6991674 2785092 2885485 2928134 3920371 8009440 6911676 6544099 7227677 3395474 1940284 3806429 4087026 Anthranilate 2-Aminobenzoic acid 747846 717803 899730 304546 442854 93416 94550 135439 607124 317667 584804 451189 113823 101298 118182 230964 Apiole Apiole 408778 452024 374300 382262 521980 475339 524268 422277 434831 449441 443681 387846 558519 388273 456226 514427 Arecoline Arecoline 142292 155183 134076 131634 285880 335172 319558 374827 152414 139679 163166 156477 327028 168381 388956 404595 Asn-Asn-Cys-Pro 201917 337474 390348 410430 348850 177575 355941 272782 Asn-Leu-Asn-Tyr 47980 427706 788802 353349 400352 121360 124329 132144 848003 81064 74763 67027 Asn-Lys-Phe-Asp 84766 147870 79780 104299 67380 48400 369541 33334 Asn-Met-Gln-Pro 1266025 2495683 3533336 3783339 4635596 1755112 920853 3291687 Asn-Val-Asn-Ser 1772434 1883934 1602435 1757787 365355 333839 322125 306802 1888800 1906244 1624127 1909324 333177 162301 406077 294896 Asp-Arg Asp-Arg 87465 101379 92792 41044 69883 38245 58221 76282 Aspartyl-L-proline Asp-Pro 523424 475515 442814 270766 526042 211813 350788 362825 Asp-Cys-Cys-Ser S-Glutathionyl-cysteine 1037875 598902 1078864 348562 2397943 523583 4889670 297356 34284 Asp-Leu-Met-Pro 1423498 880633 870337 977255 Asp-Met-Asp-Gly 8787850 2006591 7954006 4066459 3221400 1627109 2488680 3653245 Asp-Thr-Cys-Tyr 269938 1287007 716190 376428 655745 177581 414037 839492 728760 556965 648624 Bendiocarb Bendiocarb 300180 321547 335077 388577 540222 693942 539102 436725 Benzene-1_2_4-triol 1,2,4-Trihydroxybenzene 390309 357303 322345 307835 300195 326158 295762 330930 Benzyl 2-methyl-3-oxobutanoate Benzyl 2-methyl-3-oxobutanoate 442474 368852 313272 347107 343801 290447 331433 378596 Betaine Betaine 15552669 10346401 12649353 13519765 13639821 13394909 12796393 13773272 15572468 11030163 10493406 12407765 15613750 7433250 13358641 13936250 Bicine 104024 117683 74886 68756 39026 45507 40320 33812 92318 144969 117476 100125 32588 33767 46295 36684 Bicozamycin Bicozamycin 207719 350943 259231 210317 319136 175300 217425 255364 Biotin Biotin 661912 339088 473636 472259 548352 579050 537781 575971 447034 453527 347167 418626 537224 363358 581029 559438 Biotinsulfone Biotin sulfone 236797 216481 224700 157014 365127 201480 490925 174704 Bis(2-ethylhexyl)phthalate Bis(2-ethylhexyl)phthalate 27781104 20736812 19435322 18576736 29242114 22851028 20471426 17814038 28039246 20360702 18235906 17563258 27719200 20132450 21668250 18514986 Bisnorbiotin 11640834 1092983 5925693 3655284 4565309 3183267 7701251 2870445 Boc-Asn 75424 400802 144452 261582 129720 223520 92506 201613 Botrydial Botrydial 2741943 1714294 1829295 1520980 52364 37710 1633503 1626619 2135817 1516423 51097 49122 34737 68925 Butanoic acid Butyric acid 101136 100660 106420 101593 11750 15254 10215 7106 137795 113797 188046 100333 10943 8940 9464 7677 Butenylcarnitine CAR 4:1 2679614 2541942 2605485 2758166 104841 98910 116809 74655 2486798 2540812 2436878 2613616 92243 54511 107744 93983 butyrylcholine Butyrylcholine 2321580 3913656 1434667 2172756 143114 543724 3161499 4925146 1251123 1434164 476469 157841 149997 594443 (-)-Camphor Camphor 269948 358342 453217 271072 44422 31244 23488 99401 234069 309794 385315 289247 62543 25862 39397 25132 Caproylcholine Caproylcholine 270963 187466 265874 235685 95768 120589 105607 122832 279532 174706 197994 250459 121735 54967 122783 113960 CAPS 255868576 274719584 236468800 259121680 27445482 26932758 26238252 27692036 265518336 235934624 238606496 255908160 29427046 13330274 29164948 27208202 carbidopa 348666 195795 290157 267497 283804 178296 139780 270760 Carnosine Carnosine 99926 321717 227645 286682 219700 207525 327572 208142 49160 640958 99318 Carpacin Carpacin 610006 442902 415908 383958 22547 480559 437059 478828 412051 13848 Casein K 454163 694195 1567522 1233124 1003332 492934 1358068 961620 CDP CDP 246648 816324 523825 231406 960024 195714 949274 317093 CDP-choline CDP-choline 3218637 16322945 2653468 1193825 19080998 815109 8511410 2113815 CDP-ribitol CDP-ribitol 43441 112114 96035 84728 129110 29726 92935 96465 Cerulenin Cerulenin 108353 125614 94079 105232 115127 105684 95101 97968 99168 90869 87206 90144 161950 74897 101879 121245 CHAPS CHAPS 1583621 3390347 2546482 2652490 23603 4008751 1888180 1944645 2573574 79091 11634 Chelilutine Chelilutine 795210 6225811 1807814 1137767 4281963 1131517 2487999 1741907 Choline Choline 578537 536252 508072 535933 4532828 3472648 4531281 4529050 530031 432111 1106746 483271 5252740 2267326 6031602 4114278 Choline phosphate Choline phosphate 890185600 1525591808 959180480 804424768 5397571 7202466 4670762 4663109 1791474688 673169536 1485243264 846962624 9423937 1927412 1182303 1234895 cis-1_2-Dihydro-3-ethylcatechol cis-1,2-Dihydro-3-ethylcatechol 567394 609078 595703 336534 29995 25090 29297 32148 587626 660133 586354 820455 35697 30472 37599 30480 cis-1_2-Dihydroxy-1_2-dihydrodibenzothiophene cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene 136929 88787 111053 352390 264991 237445 225589 185274 91084 99902 74840 356641 247991 242538 228575 cis-3-(Carboxy-ethyl)-3_5-cyclo-hexadiene-1_2-diol 7717021 7251613 6813681 5410761 17772 22573 6181815 6817091 5689367 6834589 19278 cis-4-Octenedioicacid 154077 323319 245471 170424 64311 57277 31891 57630 398544 162600 263950 197161 65665 33609 33076 27716 CMP CMP 294971 287270 258864 241554 418266 170664 264657 298316 Coniferyl alcohol Coniferyl alcohol 1194686 1128128 1018777 904670 30142 32133 993289 1022314 912560 1085775 43274 Convicine Convicine 89482 80465 55028 52120 84553 28661 69024 33496 Creatine Creatine 482493824 459756576 467205824 425410016 18695796 19700750 17441790 17884658 644357504 281260736 407635680 452826528 20099890 9351703 11998962 10797474 Creatinine Creatinine 12445708 7530991 10667885 9695456 15408631 14806168 14144871 15692632 11903046 9108237 7688930 10016736 16838310 6294607 15481218 14000116 Cumene Isopropylbenzene 1459888 1221457 1490375 1167364 38075 35839 29765 61094 1258942 1358397 1466693 1505567 28976 21024 42907 53872 Cycasin Cycasin 101720 163077 69479 841216 784243 704081 793140 95057 241337 114171 140033 890300 422672 517431 512949 Cyclohex-2-enone Cyclohex-2-enone 3169254 2033389 2836141 1824364 34712 31216 18704 21356 2267896 2512253 2647119 2286577 51678 27376 31229 Cyclohexane-1_3-dione Cyclohexane-1,3-dione 1740993 1754550 1658391 1694952 38022 50968 38137 32969 1624098 1541780 1741208 1426892 44014 39867 35754 44263 Cys-Cys-Pro-Ser 103818 231059 229800 121040 412479 116711 485165 156904 Cys-Gly Cys-Gly 35972 Cys-His Cys-His 138993 178515 Cys-Pro-Pro Cys-Pro-Pro 329925 29425 74864 60595 636079 21645 Danielone Danielone 2025763 2028174 1767952 1519061 1714709 1743590 1269341 1798708 D-Apiitol Apiitol 121161 90906 94453 91685 26107 52605 48027 29260 114651 92262 106163 115929 34145 24987 51001 58733 decanamide Decanamide 251556 368915 369326 403899 231136 217904 201834 243521 496288 225858 375255 294110 229739 220225 208222 240309 dehydrolysine 87968 62282 61691 75122 68302 113591 102794 96130 104946 97114 113237 80360 126865 80491 94274 89951 Dehydrophytosphingosine Dehydrophytosphingosine 464998 365844 326756 257965 277056 169489 143376 149653 334239 386211 215488 286284 148571 105747 230191 314706 delta1-Piperideine-2-carboxylate D-1-Piperideine-2-carboxylic acid 21051440 20735180 15304294 25137506 82075 87700 86188 88273 16627210 24138994 11979628 14935020 101046 79362 81610 113187 Deoxycytidine Deoxycytidine 1048975 602015 550240 694759 721191 388517 345600 568506 Dethiobiotin Dethiobiotin 166089 114142 116599 145813 22594 25759 117139 78638 125304 155608 22195 23545 27473 Diacetylmonoxime 2,3-Butanedione monoxime 149687 240896 145367 148285 36052 60348 404973 33946 241044 199770 226799 179718 231615 138849 231421 183760 Diethyl 2-methyl-3-oxosuccinate 4-Heptenal diethyl acetal 968485 1178691 1869491 759803 10408 15086 12155 14429 936804 1849565 2036460 862465 11623 13458 14723 14699 Diethyl sulfide 369604 279554 342045 377049 287409 196327 237936 284309 Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one 812166 894973 949372 877722 48423 77993 59432 44811 839132 797538 767527 918683 79445 48495 62220 50323 Dihydro-4_4-dimethyl-2_3-Furandione 2-Dehydropantolactone 558413 468441 591356 480509 52449 22210 52822 28089 513691 532624 461241 522437 51190 78593 100133 72533 dihydrothymidine 5,6-Dihydrothymidine 290090 421233 228452 189968 371272 86228 346532 173027 Diisononyl phthalate Diisononyl phthalate 262515 261402 304060 173424 289776 890200 2454833 295150 325321 236009 171934 844092 312587 181195 248070 348609 Diisopropyl phosphate 104113 100786 104740 73478 109766 94939 160037 115634 143675 98806 38877 60413 83112 Dimethyl adipate Dimethyl adipate 456306 399022 342046 467370 9269 494960 305981 306008 443290 9913 9392 11644 Dinor-PGE2 Dinor-PGE2 2000128 764617 1302272 855033 1017618 974986 1841569 992671 DL-Methionine sulfone Methionine sulfone 67212 161580 162435 159978 203700 126525 89264 187270 85707 33010 27465 DL-β-hydroxynorvaline 281462 139433 248707 295459 18698 189763 172796 166295 152097 24380 14082 Dodecanedioic acid Dodecanedioic acid 115222 107399 100379 105457 100885 86046 73226 81463 96673 112146 124509 162886 92011 41922 78065 88855 Dolichodial 356528 447298 371194 313982 33789 34400 31241 26633 406282 401371 511770 284688 39913 32969 33616 33976 Dopaminequinone Dopamine quinone 5052654 4769986 4288237 4311874 1323909 1420748 1392270 1356934 4674014 3840235 3993677 4775642 1727830 680138 1542427 1423420 Epothilone A Epothilone A 1839859 1419024 1523561 1337181 1505913 1519355 2064071 1517949 epsilon-Caprolactam Epsilon-caprolactam 282587 1003037 386493 282625 160547 178515 180404 165142 970843 609349 707411 775550 183428 135343 149841 145565 E-pyridine-3-aldoxime 4046345 2063271 3481223 3292199 275787 239549 232318 272153 3896275 2717628 3688908 3060315 411815 53837 297684 329267 (-)-erythro-(2R_3R)-dihydroxybutylamide 1598399 821907 1302029 1174426 22045 23663 32545 36023 804442 427433 753816 693142 28593 22165 19226 24910 Ethyl 3-oxohexanoate Ethyl 3-oxohexanoate 239681 223054 243362 178689 8520 9248 7463 7255 191187 258052 249761 289266 8855 10258 7958 Ethyladipicacid 200425 97745 31184 33806 27364 42342 46666 200575 53622 168815 62503 57752 32748 24885 27226 Ethylphosphate Ethylphosphate 310094 258290 368933 386023 313327 201870 198145 267535 Eugenol methyl ether Methyleugenol 2197398 1848178 1789121 1346128 454550 360584 345710 310332 1707994 1656524 1839232 1665952 370989 345551 334792 300789 FA (12:1) Decenedioic acid Decenedioic acid 939786 1298290 1429853 987826 31022 32089 28682 19801 1244816 1697334 1448966 877011 32684 28829 29604 25747 FA (12:1) dodecenoic acid Dodecenoic acid 105272 139062 111642 210481 242793 149955 197424 158271 269177 199189 89199 170248 290929 146467 234176 262893 FA (14:2) tetradecadienal 66451 FA (16:2) Hexadecadienoic acid 219204 232329 207627 121832 287081 243626 114934 258661 122183 48187 102406 [FA (18:1)] 9Z-octadecenamide Oleamide 175013 741547 336583 705819 4083094 1776901 2321282 1717020 928467 643720 241303 519870 2910498 1725098 2751590 3133145 FA (6:1) Hexenoic acid 3260651 2516595 2842076 2403435 38494 50146 51234 38876 2489981 2633200 2680295 2635043 48331 37258 52481 34239 [FA (7:1)] 3-heptynoic acid 1719435 1915669 1741459 1560157 32734 23802 27139 1783047 1597844 1453058 1581766 39250 21384 26071 69757 [FA (7:2)] 2_4-heptadienal 838381 553004 510862 388918 144668 98092 141458 114880 543938 560641 566421 589381 163555 60441 151557 110607 FA (8:0) octanoic acid Caprylic acid 4176963 4470485 4171527 3995834 1531082 1782342 1563818 1717970 4505371 4185057 4273343 3994158 1562689 804259 1895995 1723795 FA (8:2) Octadienoic acid 2383510 1865669 1893307 1786685 111669 132720 91958 159414 1943021 1912601 1862634 2010593 156165 85647 141009 153662 FA (9:1) nonynoic acid 201079 203221 256441 249034 19395 18113 17043 17539 180089 215109 165524 291429 20987 15935 17673 20047 FA (9:2) nonadienoic acid Nonadienoic acid 2342967 1320054 1746045 1097204 117795 131160 106082 121188 1582460 1402498 1584571 1421186 136734 88529 118763 150239 [FA amino(14:0)] 2-amino-tetradecanoic acid 2-Aminotetradecanoic acid 70082 201336 101418 62439 32445 45267 111991 FAD FAD 642046 1284612 1192935 686021 1416891 466217 1025597 690855 FA dioxo(10:0) 1168672 1108350 652048 1076624 46444 46290 56682 66367 1112356 1058940 701301 1331043 49005 21981 53189 60132 [FA hydroxy(10:0)] N-(3S-hydroxydecanoyl)-L-serine 5679916 4332695 3786204 3616341 37848 59600 65472 44340 4865635 4756160 4214744 4642601 51580 13248 60982 54967 [FA hydroxy(11:2/11:2)] 2R_9R-dihydroxy-3S_4S_7S_8S-diepoxy-5E_10-undecadien-1-ol Depdecin 521144 766715 899835 592888 23744 21801 20624 15690 452783 928418 907979 479549 17227 33368 19420 16626 [FA hydroxy(18:2)] 13S-hydroxy-9Z_11E-octadecadienoic acid 13S-HODE 277716 292969 277368 246287 172749 100736 102185 98580 340564 246766 500515 335715 107143 52429 110585 158487 [FA methoxy_hydroxy(18:2)] octadecadienoic acid Octadecadienoic acid 480136 413004 461107 292207 397950 452343 367577 331239 FA methyl(5:1) 740486 714257 805992 699763 26065 25207 15749 24341 748633 565415 679042 832460 25631 25921 15383 25562 FA methyl(6:1) 957450 2255270 2672355 1676460 11773 12151 14179 13746 1394311 3044711 3086669 1286817 12077 12610 12902 14322 [FA methyl_hydroxy_oxo(5:2/4:0)] methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate Butyric acid 1259151 1231411 1525348 1501193 23031 12485 23668 905609 725854 751026 1444618 11926 16596 27874 14303 [FA oxo(5:1/5:0)] (1S_2R)-3-oxo-2-(2^Z-pentenyl)-cyclopentaneacetic acid 141557 119492 117149 184475 160401 151776 152729 166237 139995 126575 154936 113444 160494 123485 168999 185182 FA oxo(8:0) oxo-octanoic acid 434100 473363 471646 378716 72412 107097 48051 57787 470123 530801 445308 583070 95939 25721 59673 126995 [FA oxo(8:1)] 5-oxo-7-octenoic acid 5-Oxo-7-octenoic acid 334196 645020 500522 510752 31581 98327 60436 147993 538626 412788 596159 663190 33938 33818 37545 56973 [FA oxo_amino(6:0)] 3-oxo-5S-amino-hexanoic acid (S)-5-Amino-3-oxohexanoate 98931 197098 166774 76581 305282 309685 276243 342737 248215 170507 189217 139882 403367 153700 217143 202800 Fasoracetam Fasoracetam 112191 103460 106842 124222 136676 61760 110773 102555 Flavanone Flavanone 1535864 1098094 1066523 1008544 1620648 924174 1127725 792441 1440473 1115059 1037003 987423 1454984 1089190 1223343 1034566 Furfural 2-Furancarboxaldehyde 119174 711419 293579 121104 73812 137175 114193 93486 595869 126124 430358 126188 176359 23863 Furfural diethyl acetal 802791 729071 913375 885843 36452 28640 43476 33664 924047 791963 1049110 1113622 41004 67661 44604 36191 gamma-Glutamyl-beta-aminopropiononitrile gamma-Glutamyl-beta-aminopropiononitrile 2326922 1481899 1659303 1689638 6189967 6239449 5361334 6308842 2107814 2096462 1796965 1598890 6539839 2814854 7262872 6007757 Gamma-Glutamylglutamine gamma-Glutamylglutamine 1039772 1600113 965633 357130 364734 547634 698170 349546 4373481 452210 3089430 366660 1892635 324601 Gammaglutamylornithine gamma-Glutamylornithine 91395 21905 32273 47825 gamma-Glutamyl-Se-methylselenocysteine gamma-Glutamyl-Se-methylselenocysteine 287285 213764 414111 276735 306032 244294 301655 251433 gamma-L-Glutamyl-D-alanine gamma-L-Glutamyl-D-alanine 176074 176031 203146 626744 762191 352466 559646 721769 1461360 186776 gamma-L-Glutamyl-L-cysteine gamma-Glutamylcysteine 142881 1088527 299804 1869326 311850 1302009 143678 gamma-L-Glutamyl-L-cysteinyl-beta-alanine Homoglutathione 105612 496908 207641 88234 377143 345777 259950 gamma-Undecalactone gamma-Undecalactone 103215 79789 85314 45943 37070 41070 35619 64158 78247 104114 81612 47271 40459 33159 59151 GDP-3_6-dideoxy-D-galactose GDP-3,6-dideoxy-D-galactose 368584 100312 282256 323723 47629 Glu-Ala-Asp Glu-Ala-Asp 94549 1045493 772427 96704 1235150 30759 886780 161560 Glu-Ala-Glu Glu-Ala-Glu 237311 162961 180146 175902 198011 93778 109413 166743 Glu-Ala-Ser Glu-Ala-Ser 900784 305919 542172 3482064 29865 183938 2757711 240156 284528 22192 Glu-Arg Glu-Arg 1664721 419968 1053485 562871 560545 939657 1078446 711551 1168322 1244154 1086278 668417 2211559 351159 1204528 1131217 Glu-Cys-Glu Glu-Cys-Glu 434624 1221351 858063 754476 960682 761843 528278 878047 Glu-Cys-Gly Glu-Cys-Gly 735313 9796330 1560603 739506 59719 84721 89482 111920 9723567 513162 5618793 793503 455272 20506 83225 110410 Glu-Glu Glu-Glu 680295 2997975 1153205 340750 38138 96833 38371 28650 6555234 243587 7785422 333531 157900 Glu-Glu-Met Glu-Glu-Met 407241 87546 218794 194012 169627 110537 248153 148946 Glu-Met Glu-Met 208050 127414 155169 78666 184093 192223 266077 205132 368477 108778 395135 104321 281682 156038 63706 61379 Glu-Met-Ser Glu-Met-Ser 3330670 2274888 3211643 2708254 3093033 1336315 2416914 2326877 Glutarimide 368639 310973 237540 435326 26272 24376 24529 22629 411490 475477 281035 236285 25708 24761 31128 30129 Glutathione Glutathione 712043 4636752 1278138 714900 21136 21447 52631 69088 4337297 391208 2336392 733251 128193 67442 73035 Glutathione disulfide Oxidized glutathione 8427688 30200524 12500267 6256802 25003828 6358067 26396088 6512610 Glu-Thr-Thr Glu-Thr-Thr 48226 670071 138831 652204 542986 Gly-Arg Gly-Arg 173021 40658 180722 192322 45250 51548 47311 22815 47199 95194 47971 232820 22511 21892 21169 Glycyl-leucine Gly-Leu 295819 219004 286778 281254 80163 92082 69505 82769 243311 161592 198807 297729 85285 73573 78452 86529 Glycylproline Gly-Pro 276350 199419 219855 164209 70079 78622 31533 121186 278300 54839 179426 166412 87929 37088 Guanidinoacetate Guanidoacetic acid 410871 302520 444680 364210 277408 264187 206138 260797 483165 335046 395898 423153 387860 139012 286008 214500 HEPES 5377220 3555802 420300 2282879 1712455 141882 247202 182378 709849 1127545 6049164 2252946 338485 499467 515063 1418117 Heptanoylcarnitine CAR 7:0 1727304 620915 714624 455235 30864 39765 459175 548041 1042479 525762 31157 32087 Heptanoylcholine 235973 183748 98067 114071 58185 64206 77208 74609 246641 98772 103017 78725 79749 45433 67939 96597 Herniarin 48464 94259 99656 114648 263866 194104 399665 342074 73373 83256 53288 76777 249699 174235 260943 317672 Heterodendrin Heterodendrin 2370764 2442628 2317709 2446386 2284258 2407032 1981083 2492754 Hexanoylcarnitine CAR 6:0 2463491 1943904 2226033 2193432 28484 31541 26674 2216296 2112061 1740991 2257090 26582 37927 29578 Hexylamine Hexylamine 728887 917705 588413 865955 794650 682612 824194 841849 histidine methyl ester 847107 622976 863805 603453 1285654 1283205 1247477 1213042 877772 728322 642728 720185 1410289 750503 1233456 1167789 Homoarginine Homoarginine 95326 76921 84654 78104 101489 121404 89905 91204 91326 70439 73533 82102 125642 37882 81771 99729 homofuraneol 737964 621495 602323 712754 14197 13112 25398 21135 551921 573999 586846 883180 27165 24308 16425 27907 Homostachydrine (S)-Homostachydrine 236769 109833 134484 170887 179107 152675 145214 170729 138994 143966 110596 139404 157849 85239 172708 147025 Hydroxyhexanoycarnitine CAR 6:0;OH 6132245 5868019 6393878 5331877 32598 6121416 6581008 5672445 6989636 18932 Hymenoxon Hymenoxon 2641238 1436153 2167020 1259170 22100 39972 1563492 1816921 2166989 1571519 34207 18920 Hypotaurine Hypotaurine 418436 1152122 452940 385537 870745 284682 688676 436136 Hypoxanthine Hypoxanthine 30185 22314 307294 213983 230633 246691 46151 31788 263136 130916 184559 260788 Ile-Ala Ile-Ala 547892 283262 472639 481655 95412 94459 109694 133822 459319 362461 315797 392649 78937 37832 107594 74487 Ile-Asn Ile-Asn 124591 84200 60895 101495 357333 295195 348884 138785 124188 137119 115429 229823 86524 270939 403026 Ile-Ile-Pro Ile-Ile-Pro 371538 748684 608749 477888 628278 630194 524116 697113 805931 385230 461318 306911 673812 357744 272224 242996 Ile-Lys Ile-Lys 854041 559026 1238915 758065 744958 632400 478740 871214 Ile-Ser Ile-Ser 200792 134706 212103 170815 30360 32341 26610 128570 137398 238316 189783 18694 Ile-Val Ile-Val 108719 127274 153193 101187 27608 21582 27494 114316 90480 99489 111857 Imidazole-4-acetate Imidazoleacetic acid 167387 128164 240268 166889 115410 87182 219306 98687 200197 199203 163268 191597 117607 91745 115046 120816 Indole Indole 96115 109324 107673 105893 147385 124817 143498 141050 129573 111290 128383 133885 151745 94005 142457 184167 Indolelactate Indolelactic acid 324817 312719 238109 255865 265573 294537 154935 229490 238444 Inosine Inosine 3497662 185522 1461658 827664 534835 679552 2929410 292167 Integerrine 1204791 790727 875031 608183 830803 859154 1180491 846728 Isobutyryl-L-carnitine CAR 3:0;2Me 3090018 1950162 3120752 1507687 40231 25617 2082123 2181388 2875948 2041568 28838 18873 23116 Isonicotineamide 2264176 4019148 2214128 1878177 85437 75584 134577 160152 3805311 1676548 3068142 2050006 156804 62362 97609 131063 Isopentenyl adenosine N6-Isopentenyladenosine 1129088 955358 1092687 974692 1090616 1076994 876585 989465 Isovalerylcarnitine CAR 4:0;3Me 166621 99978 118042 115475 184309 224005 256917 382005 180216 110142 85299 132958 254544 74002 264622 294867 Isovalerylglutamicacid 1013207 1281777 1153859 1137897 28062 36407 17186 19115 1206455 1054424 1113716 1297084 29178 20461 30397 25754 (-)-Jasmonic acid Jasmonic acid 4421945 2897214 3828604 2676805 87808 67884 59292 63399 3237781 3727566 3426978 3390045 94001 62737 64629 108191 L-1-Pyrroline-3-hydroxy-5-carboxylate 123180 522279 216118 126785 3332281 3362741 499912 3231483 563576 173723 664848 185944 2651991 1038965 1214880 1606879 L-2-Amino-6-oxoheptanedioate 14432668 17712644 14965610 14880787 20547374 17715268 17452824 16865014 31418 L-Alanine Alanine 1683324 3868401 2058340 1345942 17813392 29452062 19889106 18202220 5032060 1738272 4270445 1770709 44061588 10811397 5528675 5686998 L-Arginine Arginine 62100080 50665716 55285300 46952100 129635488 121036912 121527312 130383280 74865656 73565152 59779448 53583412 141732128 77594984 131688504 125464192 L-Asparagine Asparagine 2782078 17590912 2521753 1734800 11270854 17709696 9680384 9909882 26638838 2113912 10240810 2055801 40127164 5483974 2519661 1916598 L-Aspartate 4-semialdehyde Aspartate-semialdehyde 194334 145361 175924 181798 127346 93093 117228 116451 179382 128382 199377 156766 134289 94964 152491 168835 L-Carnitine Carnitine 22515736 14063100 20714024 23926882 1961043 2134763 2086153 2193214 16682717 12513633 12372097 18180954 2374529 1041482 2423138 2545712 L-Citrulline Citrulline 531650 819931 542830 465637 1426813 1487200 1159331 1297902 1066848 499188 657686 463091 2262271 701821 753965 577648 L-Cysteine Cysteine 144192 38355 88654 69861 38948 30728 26746 44068 97327 64945 79558 60607 43121 29937 50668 39203 L-Cysteinylglycinedisulfide Cysteinylglycine disulfide 154764 273151 97565 120039 610171 77779 L-Cystine Cystine 179725 51773 89805 21145728 30668636 14370868 15734153 192858 182113 44285 33924724 4194645 4752458 4036999 Leu-Pro Leu-Pro 408276 244574 427406 386459 63472 45796 63173 326994 203970 271158 429675 29622 50691 L-Formylkynurenine N-Formyl-L-kynurenine 5853427 7571649 12547784 9212473 2933498 1817875 1752588 1934689 11088276 8781420 10842034 9148291 1475880 791505 1334756 1505840 L-gamma-glutamyl-L-isoleucine gamma-Glutamylisoleucine 2504903 1459957 2896342 1737912 3492892 3737552 5668318 3771108 2902370 2515141 2298846 2066456 4771919 2852986 4220892 4219823 L-Glutamate 5-semialdehyde L-Glutamic-gamma-semialdehyde 8285667 4656593 6772139 7086511 470305 344377 368466 323141 5580722 3529805 3581385 5822768 352031 204279 474853 357590 L-Glutamine Glutamine 75427168 206880848 83407264 51761188 411332960 467199392 406803072 378760480 297604704 92066872 219359936 68517120 682249600 295805984 114863208 113395928 L-Histidine Histidine 9828667 13509343 7866447 8694470 40552820 52677152 36808188 38340132 15531358 12850054 11896786 8301341 79979776 29755318 33275216 31203200 Linamarin Linamarin 898436 1016402 1258646 1145740 963041 994942 850838 1616317 10392 9389 Linoleamide Linoleamide 2247795 1296321 2215640 768046 2277410 990600 1201350 941982 1640237 1270224 2778335 1465273 1233715 817678 1185848 1319910 L-isoleucyl-L-proline Ile-Pro 944974 515394 812786 656169 155633 121320 134721 127536 817832 514947 542984 760991 147059 74435 145749 122049 L-Kynurenine Kynurenine 6435404 6125231 8724719 6540203 11417432 6395274 7461970 7041752 8817660 6676989 6908336 7611013 6730431 2648542 4977008 5483030 L-lactide 279900 186643 249784 236636 44268 45507 51755 47040 177454 243900 221163 272616 51123 43729 50264 57026 L-Leucine Leucine 101899728 75606512 95349800 84192912 169726176 161186128 169561984 170020016 125424264 101173456 98534264 97536136 184356272 93825952 173245680 152382048 L-Lysine Lysine 5750257 4613360 5501885 4031370 16574996 16718784 17960252 17956868 8905755 9000696 7535670 5517171 18974662 9635683 17948728 16544412 L-Methionine Methionine 39386616 38741600 38857280 33686928 88460400 83925968 71652064 92298760 62573204 42885128 51201600 43704516 101818936 51503904 76180312 69701512 L-Methionine S-oxide Methionine sulfoxide 291536 1620229 1935076 335618 1753304 2880473 16198784 2237386 1607274 623149 1265062 300360 2891100 2441700 518289 515790 L-Ornithine Ornithine 2453880 1858722 2460997 2345649 5287989 6033315 5537194 6303253 3901472 3892175 2615490 2273540 5951739 3647934 4901526 4439485 L-Phenylalanine Phenylalanine 48347048 34309572 46263048 40552356 76102744 77612960 84114104 83033808 61983896 49072764 45861088 46170100 87473264 45576688 86594272 75751232 L-Pipecolate Pipecolic acid 112720 133987 157323 88311 140453 150010 134676 134291 179465 97752 120345 107503 149232 95678 86715 96769 L-Proline Proline 282479328 289109120 274432480 282577504 256402032 256238496 241501056 257012496 332945568 244698912 223735664 206969056 269961184 162690320 174976832 167003920 L-Serine Serine 503089 799971 754684 500470 1987442 2618956 2296905 1828226 1510131 906717 1294424 580250 5854294 1379737 960489 702076 L-Threonine Threonine 781888 2714894 875515 810286 7004026 15374262 8048265 8715879 2795296 872068 2392579 909814 29607192 3913717 2472966 2289180 L-Tryptophan Tryptophan 1953767 4579851 4680410 2778641 5018144 8354696 8469647 8624350 8668271 3911394 7220511 3889105 10741984 5593227 5592086 4306280 L-Tyrosine Tyrosine 4024389 15525881 5949168 3922953 29490596 41114552 36184004 40798900 21531288 4949168 18128846 5077726 47895144 18773384 8719699 7541154 L-Valine Valine 10696514 18638758 14712695 8780541 40325652 36998388 46846236 39868176 34333340 12838983 25249052 12937315 50615280 25925424 24432472 21526492 [LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine LPC 14:0 1213005 984362 976282 998022 690775 916416 571465 896653 LysoPC(16:0) LPC 16:0 4111937 5142498 3436402 3517682 74983 31150 40692 3212434 4364499 2169756 4198410 65017 23912 74515 76360 LysoPC(16:1(9Z)) LPC 16:1(9Z) 3549698 2405589 2043436 1691723 1546898 1376420 1356231 1796363 [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine LPC O-16:0 1361157 1860813 1190386 1426694 1101259 1455628 860632 1426104 LysoPC(18:1) LPC 18:1 2145715 1972004 1271286 975087 1010299 1150071 845873 1292621 Macarpine Macarpine 120087 216412 141086 133510 181390 141930 114553 159929 Mesitylene 249966 197382 208406 212254 12372 10234 12214 11037 208320 216345 268997 236756 11916 12196 12012 11148 meso-2_6-Diaminoheptanedioate 37483 31009 43220 29203 163396 151472 147103 159848 67379 69608 53771 40834 168432 76319 182295 140169 Met-Asp-Cys Met-Asp-Cys 143153 1424387 813187 255351 1058983 195595 792837 466014 Methacholine Methacholine 928060 507673 793830 827285 105381 95203 109059 121288 686435 491160 485277 639815 147831 66870 69913 142311 Methylacetoacetic acid Methylacetoacetic acid 790158 476169 666241 433651 102957 106121 99524 117524 461856 635952 652377 674487 104610 134457 158816 168915 Methyl cinnamate Methyl cinnamate 494494 403501 524092 417231 116000 82991 80744 80753 445015 523590 519555 454533 86379 58546 81233 80959 Methylenediurea Methylenediurea 444012 350834 294822 276561 92904 89740 70075 93785 339605 227176 349215 238483 105424 73178 93246 86717 Methylglutarylcarnitine CAR DC5:0;3Me 1975430 2299661 2161879 2074990 45462 32687 32348 15106 2151479 2272232 1871556 2289097 37365 19373 27068 34223 Methylimidazole acetaldehyde Methylimidazole acetaldehyde 266208 284454 527511 360024 152604 236374 336198 Methylimidazoleacetic acid Methylimidazoleacetic acid 281825 184807 216133 247948 168137 158023 156605 155863 262567 198501 158348 228375 164201 132220 154824 121044 methylphoracetophenone 211222 209990 199908 193141 212562 198417 193940 206723 205534 193138 195218 192202 214653 184115 195911 196651 methyl pyruvate Methyl pyruvate 333818 349163 322582 256205 13177 17834 27155 20438 225706 278353 326996 347122 18737 22824 27088 32440 Methylripariochromene A Methylripariochromene A 879634 718078 869376 596226 907411 786908 903568 875391 Met-Met-Met Met-Met-Met 838839 380676 484208 Militarinone A Militarinone A 2325588 682944 1128594 632957 1335564 1207543 1601905 1268507 Millettone Millettone 544389 372151 512722 482261 455529 475945 492197 491421 Miraxanthin-I Miraxanthin-I 1120333 1388316 1502299 1065958 812328 545032 MOPS 138946 114085 63486 224421 217832 200387 173724 192083 108790 159598 107515 210615 180067 133273 133708 Mukaadial Mukaadial 1776332 1067213 1449375 1190904 47784 74857 51372 1344773 1343482 1370814 1484228 48313 29815 68354 Muramic acid Muramic acid 502705 1044107 2010504 1268209 1974383 666339 421522 217434 Mycosporine Mycosporine 596017 823117 706865 555159 8876 8741 8861 794470 840838 957080 897544 9400 10443 9744 9421 N-(11Z_14Z-eicosadienoyl)-ethanolamine Eicosadienoyl-EA 139916 223803 79887 170130 974397 514797 1344746 344803 265310 74812 295360 178863 296926 478571 N-(11Z-eicosaenoyl)-ethanolamine 11Z-Eicosaenoyl-EA 238319 160059 74143 158843 1084748 550740 1338056 310069 274455 256036 213646 405958 462769 N1_N8-diacetylspermidine N1,N8-Diacetylspermidine 3948747 3229586 3203389 4469699 3398029 3015392 2605996 3745269 N2-Acetyl-L-aminoadipate N-Acetyl-2-aminoadipic acid 524461 1116836 935079 626354 50740 76545 59413 1097836 540680 994447 528782 66028 N2-(D-1-Carboxyethyl)-L-arginine D-Octopine 1365093 969468 870667 906397 369481 299794 312251 263191 1051560 534367 624905 899018 299085 105262 142410 140642 N2-N2-Dimethylguanosine N2,N2-Dimethylguanosine 499119 275306 412227 367905 265275 217803 233664 219381 425386 242847 278218 376576 269151 69099 218441 238019 N-(3-acetamidopropyl)-4-aminobutanal N-(3-Acetamidopropyl)-4-aminobutanal 298533 377925 563521 389556 11484 11995 11936 12003 485675 550002 617634 316917 30656 22394 32277 32270 N-(3-hydroxybutanoyl)-L-homoserine 2712803 2997703 2749960 2939832 3432004 3060646 2182711 3160401 N-(3-oxooctanoyl)-L-homoserine 10502188 9370511 9633244 9227575 9665274 9739387 8243195 9329588 48800 N4-Acetylaminobutanal N4-Acetylaminobutanal 146283 178660 245980 222737 234217 198446 249295 221106 204175 111316 110041 119256 262511 128573 233913 184155 N4-Acetylcytidine N4-Acetylcytidine 560824 331503 375409 282838 115466 100163 93261 93132 400901 181691 237972 379548 121022 51061 89267 94939 N5-(L-1-Carboxyethyl)-L-ornithine N(6)-Acetyl-N(6)-hydroxy-lysine 62232 453383 170788 83950 624143 260100 652614 142884 N6-Acetyl-L-lysine N6-Acetyllysine 259260 435221 274874 226393 282870 384543 247846 354199 505059 183693 308033 273572 306942 150897 185976 155892 N6-Acetyl-N6-hydroxy-L-lysine N(6)-Acetyl-N(6)-hydroxy-lysine 440828 834593 679546 513981 1605807 1615485 1479605 819041 N6-Methyl-L-lysine N(6)-Methyllysine 1341366 725728 1425625 1234787 330787 366244 349421 353519 1219730 846007 877305 1130109 348472 147782 281087 295566 N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 1956634 1148406 1572108 1216438 600672 607075 625493 650034 1597306 960248 949322 1360270 585558 286070 652316 553858 N-Acetyl-aspartyl-glutamate N-Acetyl-Asp-Glu 3108521 9788635 4883846 1974966 27550 32569 9257604 998677 8171869 2209269 33997 N-Acetyl-D-glucosaminate N-acetyl-glucosaminic acid 305016 297948 249918 176984 355126 157648 242917 222336 N-Acetyl-D-glucosamine N-Acetylglucosamine 250323 305626 370957 257507 118883 100377 105968 100990 388894 159219 363741 268746 123834 51467 69202 71672 N-Acetyl-D-quinovosamine 4535608 4642322 4480554 4563249 19970 4662648 4555429 3708817 4791790 21721 26101 N-Acetylglutamine N-Acetylglutamine 812738 714955 1024848 783673 98735 107960 196416 153522 901971 544171 530024 657702 127490 86139 190098 153649 N-Acetyllactosamine N-Acetyllactosamine 317701 143298 249195 210076 N-Acetyl-L-citrulline N-Acetylcitrulline 6517934 37105096 1116300 4777223 280209632 271689376 39151908 277849856 42824416 9530937 49292872 9051623 220833968 86569312 121833920 128667288 N-Acetyl-L-glutamate 5-semialdehyde N-Acetyl-glutamate 5-semialdehyde 37927156 40163244 25575888 49142788 20522 26404 65971 26133 29848620 48231900 20989950 28385278 26657 51363 30384 27169 N-Acetyl-L-histidine N-Acetylhistidine 984396 696414 579758 464292 2737291 2538315 2751137 2614324 1134948 1233780 802903 667348 3032111 1922310 2816106 2671907 N-Acetylmethionine N-Acetylmethionine 5860163 4028841 5803938 5579723 217885 267500 4135758 2386571 2957752 4327779 64063 120209 N-Acetylmuramate N-Acetylmuramic acid 31819 118601 280457 302530 249908 48881 348706 156457 N-Acetylornithine N-Acetylornithine 118252 423464 203070 807080 1155661 929530 963257 548095 235813 488144 179848 1431150 467764 382284 331758 N-Acetylvanilalanine N-Acetylvanilalanine 366865 179773 181538 207800 267400 157663 131932 264966 19404 NAD+ NAD 20274946 75292808 26182430 17158762 74877544 12239633 54687512 21847486 NADP+ NADP 5442597 2253641 3181607 2415846 2956885 1840290 4954603 2423369 NADPH NADPH 437547 2874329 1889176 1347238 2906188 763904 631134 1299923 N(alpha)-t-Butoxycarbonyl-L-leucine 3590308 3352838 3085912 3296570 76831 59408 67690 48888 3067983 3215094 2904205 3146966 81854 27557 113660 124914 N-Butyryl-L-homoserine lactone N-Butyryl-L-homoserine lactone 256781 254138 447217 338320 70839 70435 76522 59431 249638 238582 248729 395861 62503 66439 54706 58441 N-Carbamyl-L-glutamate Carglumic acid 2845388 3516498 2722586 2742296 3994231 3446193 3411710 3236555 N-Carboxyethyl-g-aminobutyricacid N-Carboxyethyl-gamma-aminobutyric acid 122119 217122 227842 145659 29695 48247 32456 27712 270091 130676 227692 119634 41172 33075 Ne_Ne dimethyllysine N(6),N(6)-Dimethyl-lysine 294636 267003 289098 236904 332458 337840 314609 361919 355779 235798 255465 266867 314272 135377 299075 297168 N-ethylsuccinimide N-Ethylsuccinimide 1888363 1476256 1923816 2180108 53403 55123 51138 60122 1165226 2634599 1412676 1075768 48221 45059 71842 48696 Neuraminic acid Neuraminic acid 214716 690457 806990 246381 882289 157633 724220 372375 N-Formimino-L-glutamate Formiminoglutamic acid 346836 500670 380277 334708 40612 31812 38363 291595 490497 184071 360596 316379 39701 131353 29568 28777 Ngamma-Monomethyl-L-arginine Targinine 56765 42977 56297 43547 101865 100520 98566 113074 60209 51521 58631 45375 116381 57578 112122 102867 N-Glycolyl-D-glucosamine N-Glycolyl-D-glucosamine 19443 79844 109479 23552 20762 47937 NG_NG-Dimethyl-L-arginine Dimethylarginine 1207078 1026509 1104319 916841 1647127 1524001 1239331 1350003 1194738 970773 877832 908857 1608168 661225 1325164 1428260 N-Heptanoylglycine N-Heptanoylglycine 1775884 1542957 1842308 1589456 718365 810398 737947 862427 1844080 1678121 1569983 1873125 859519 197757 819018 949238 N-hydroxy-N-isopropyloxamate 1136779 1441930 1303471 1088881 1383518 1198681 1368171 1040265 23131 25781 nicotinamide riboside Nicotinamide riboside 258530 178711 224366 185368 16058 26614 18308 210203 160704 173589 210052 18885 20523 21405 N-Methylnicotinate Trigonelline 143646 126088 106009 116561 29710 34151 128934 62235 74183 74012 N_N-dihydroxyisoleucine 2516134 2442081 2249002 1940983 27745 25332 23085 22654 2076995 2131366 1981798 2402812 22350 31454 N_N-dihydroxyvaline 91637 138220 33505 124695 43754 88304 77501 103136 56447 N_N-Dimethylaniline N,N-Dimethylaniline 646892 430196 441392 419547 195234 149898 164017 161483 462714 476390 372771 553737 173863 136430 177402 163359 N_N-Dimethylaniline N-oxide 704636 198743 360528 188274 115129 111022 105916 108324 535857 289166 134669 547626 132352 76440 118394 113652 N_N-Dimethylglycine Dimethylglycine 582133 816256 579557 521627 1112123 963119 1045643 906403 959987 594373 790846 523098 1089205 828659 615862 654750 N-Nonanoylglycine N-Nonanoylglycine 725229 767127 688612 704969 497933 462683 764401 703169 755988 675674 750390 761398 597126 247937 505941 632111 N-Phenylacetamide N-Acetylarylamine 104480 107561 170108 115332 62442 22392 24356 32105 149023 131505 177907 122341 27234 17604 20780 N(pi)-Methyl-L-histidine 3-Methylhistidine 2785575 1969483 2303780 1929695 4697475 4827032 4480452 4564942 3348629 2830356 2516886 2369351 4447680 2203277 4726850 4597464 n-Propyl gallate 1731369 1898421 1731859 1693687 1528137 1641540 1474934 1658733 N-succinyl-L-citrulline N(2)-Succinyl-citrulline 4797191 8972553 632612 4200617 9677119 8554628 8438190 7753704 N-Succinyl-LL-2_6-diaminoheptanedioate N-Succinyl-L,L-2,6-diaminopimelate 1298459 327656 902903 288138 1409307 180965 3468643 258879 N-Undecanoylglycine N-Undecanoylglycine 1239103 2261300 1663381 1554919 464383 517583 618384 541874 3940236 1790357 2970739 2850343 393000 247856 550640 1281428 N-α-L-histidine 1348117 918854 1175539 918400 27837 53701 48346 1172424 742651 813070 1264389 71480 67035 29932 O-Acetylcarnitine CAR 2:0 829346 451153 549138 502700 114397 124149 171218 667086 444408 329616 645284 28090 O-Acetyl-L-homoserine O-Acetyl-homoserine 712728512 230984816 588709248 466307200 115651 131788 251123 210252 459840672 365950048 545042688 389166240 201023 150454 243993 196308 O-Butanoylcarnitine CAR 4:0 3793703 1904616 2667676 3046995 378105 339513 402638 405000 2099008 1423042 1573010 2010424 381138 194070 371886 350584 Octadecanamide Stearamide 257271 114776 278195 1066927 429055 318870 477882 255601 136676 110765 400842 301851 551035 616723 Octylamine Octylamine 1209901 1191613 1132144 1112776 1117153 1087141 1173816 1131945 1149574 1154767 1050209 1150937 1150318 1168996 1199263 1197307 Oleandolide Oleandolide 620019 369214 542697 351890 551389 482477 500972 497410 Ophthalmicacid Ophthalmic acid 420188 86171 307363 282106 O-Propanoylcarnitine CAR 3:0 1459585 1589914 2699534 2444016 13414 10059 23382 18239 1727031 1880394 1247904 2713551 14405 18775 15435 21343 Orthophosphate Phosphoric acid 219125 955540 436461 244063 1075256 257657 698774 502396 Osajin Osajin 443175 148179 397056 322185 257744 335914 459855 272442 Ovalifolin 611727 222387 523889 323359 346245 530938 857727 352764 Palmiticamide Palmitamide 133191 127765 724992 669815 493613 460336 133004 383841 321191 543439 706006 Palmitoleamide Palmitoleamide 156043 172307 213002 204504 118412 58627 172439 202229 Pantothenate Pantothenic acid 77325704 35461796 55278564 55231820 8663784 8191296 8137602 8046906 49299180 34327752 38097504 45024324 8723209 5818254 7960533 7677112 Pantothenol Pantothenol 137088 250363 191795 166123 126900 102106 127667 120679 298656 210047 279584 188847 159143 136487 86119 113611 [PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine LPC P-16:0 or LPC O-16:1 623424 559207 426553 379454 248393 364330 360842 461055 PC(2:0) PC 2:0* 109288 157566 143405 106417 127454 128974 134725 95047 [PC] 2-valeryl-sn-glycero-3-phosphocholine 366695 342618 451262 374340 451633 324168 337850 388891 PC(32:1) PC 32:1 15256611 474632 1535179 703797 145297 128490 592643 479985 7396987 747473 106991 85491 139154 PC(34:1) PC 34:1 15368493 392379 1881878 1021945 1295795 1423306 1203847 1072656 836189 724475 8664281 751643 1324848 660745 1307311 1528493 PC(34:2) PC 34:2 13024212 310336 1173788 620484 178337 271826 141740 144686 421400 299560 6164461 474808 169973 67073 156490 183905 PC(36:2) PC 36:2 9008965 252978 1020816 663421 523935 354396 370695 385087 414289 405518 5159282 507466 469906 219347 424560 428694 PC(36:4) PC 36:4 1359039 261635 161413 223637 299283 809410 273376 133175 257255 310654 PC(38:4) PC 38:4 1229379 83232 802658 809347 817993 659282 675680 862210 396021 727043 835568 PC(38:5) PC 38:5 1795424 183818 123266 314201 411015 325311 349670 819739 411555 182390 337207 422069 [PC acety] 1-acetyl-sn-glycero-3-phosphocholine 828052 365075 719126 653968 563193 379218 422308 474118 Pendimethalin Pendimethalin 1171715 1165229 1625364 970501 252391 86766 1052435 1259828 1057921 1350944 45822 74216 109313 90689 Phe-Asp Phe-Asp 264958 136148 227469 269655 238973 281838 207855 185156 86954 238544 166798 Phe-Gly Phe-Gly 113074 113410 213777 195559 209966 101846 265968 219019 Phenolsulfonphthalein Phenolsulfonphthalein 2279176 2182754 2403114 1670573 3397065 3814014 4393671 4033518 4162417 5318997 3327726 1782603 3381238 5033478 4154336 3771442 Phenylacetic acid Phenylacetic acid 154200 178120 200107 205799 13621 10840 21572 10951 198785 225701 306846 308770 10638 11894 13137 10593 Phenylacetylglycine Phenylacetylglycine 741324 987647 961359 825043 836490 20666 955138 861370 Phenylethyl alcohol 2-Phenylethanol 5289979 3921232 4652763 3331682 97234 93245 53567 46944 4443254 4185380 4470064 4119296 85230 51807 53463 102863 Phenylethylmalonamide Phenylethylmalonamide 115321 136359 341670 253085 199674 104808 377409 204293 Phenylpropanoate Hydrocinnamic acid 208667 218648 207755 204092 9065 8452 9089 234896 268592 312456 310238 7966 9797 7597 Phosphocreatine Phosphocreatine 1665686 8847356 2191501 1159546 15136496 850957 5350628 1628134 Phosphodimethylethanolamine N,N-Dimethylethanolamine phosphate 3732401 21837450 4211284 3190556 22369112 2226532 17774966 3414328 Phosphonoacetaldehyde Phosphonoacetaldehyde 1240604 2949949 1301038 949470 29473 3534590 601599 1930303 1234242 18003 Picolinamide Picolinamide 59455336 39072828 48933348 44798468 94350248 93208688 89108960 97089144 54986116 42094412 47982468 40673132 110239856 54380364 92420376 81252616 Piperidine Piperidine 495074 996826 518242 372389 1275779 286988 710379 439370 25689 Pirbuterol Pirbuterol 763198 429553 507330 551657 60819 76507 69842 84600 615131 344305 380820 490613 79840 82865 66471 86560 [PR] 4-Oxomytiloxanthin 4-Oxomytiloxanthin 56801 39551 36087 32634 31665 41820 29905 [PR] (+)-Bornane-2_5-dione Bornane-2,5-dione 450673 511906 428950 454299 161328 95815 75056 71745 393078 429467 542516 317099 239239 188254 78432 79130 Prenyl-L-cysteine S-Prenyl-L-cysteine 181292 90089 248656 108941 158330 148743 215328 149666 [PR] Iridotrial Iridotrial 7507466 6792518 7638588 6322677 193796 201856 232366 197464 6370803 7034860 5228761 6621279 196697 134984 178627 232358 Proclavaminic acid Proclavaminic acid 460695 271427 626657 527010 479562 467276 331760 386751 Psicofuranin Angustmycin C 761919 641192 632244 484630 608389 521494 403205 433508 777387 369877 441760 671970 590361 165448 404815 514406 Pyridine-2_3-dicarboxylate Quinolinic acid 2030124 1507357 1611436 859473 99836 45729 61130 52780 1883445 622340 1301325 1153171 78040 Pyridoxal Pyridoxal 1174008 1363541 1246124 1252869 756050 595406 440215 471559 1310328 982570 651785 1496135 504967 198548 384658 531359 Pyridoxine Pyridoxine 11646602 7284219 11009030 8175951 29339476 28893238 31321762 30777390 11372018 12410465 9040687 9045884 35897520 14368684 34977068 29569948 Riboflavin Riboflavin 162594 746450 512107 490633 1113296 1143763 1103474 1075008 709406 638925 212269 581137 1120583 597521 1167833 1053464 Riboflavin cyclic-4^_5^-phosphate 154935 160124 205019 162314 212627 91396 139547 140088 Ricinine Ricinine 48854 60287 37777 41417 70440 85651 77515 82139 132957 71019 45689 121065 29952 79218 101969 (R)-S-Lactoylglutathione S-Lactoylglutathione 181332 393080 313724 299563 294923 289741 132468 240228 (S)-1-Pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 884654 1114917 648150 1149282 563967 575098 603483 1191404 903638 2890623 681606 1338389 493699 1271676 516370 394394 S-(2-Methylbutanoyl)-dihydrolipoamide 2926264 3042584 2836683 2891481 3126575 3017012 2531497 3014408 S-(3-Methylbutanoyl)-dihydrolipoamide 1328675 1346539 1164612 1445814 1310177 1424364 1055974 1330034 S-8-methylthiooctylhydroximoyl-L-cysteine 420611 518224 483335 444984 455919 514537 371599 439233 S-Adenosyl-L-homocysteine S-Adenosylhomocysteine 1268809 1166860 1319130 1043783 1301427 495545 972972 1094154 S-Adenosyl-L-methionine S-Adenosylmethionine 20986960 16349930 15815716 12187566 87482 85613 33025 65224 19032540 8211255 13740219 13513511 107728 Ser-Ser-Tyr Ser-Ser-Tyr 228653 372685 311438 318679 546573 407097 451244 418374 S-(Formylmethyl)glutathione S-(Formylmethyl)glutathione 206085 2043815 382443 389710 1119583 200875 445570 424957 Sinapyl alcohol Sinapyl alcohol 1568111 1117551 1309765 1099349 1314850 1367398 1426290 1234590 25380 Slaframine Slaframine 143663 142182 126157 139686 142949 145429 155608 165358 115416 223302 146497 145963 152182 137581 151191 142338 SM(d18:1/24:1(15Z)) SM 18:1;O2/24:1(15Z) 3444123 226354 705899 699270 441902 498068 336235 485963 432331 406150 2621828 493485 459149 327214 385331 397928 SM(d34:1) SM 34:1;O2 11130645 3152387 2632622 1978623 979823 875496 1013949 896356 1966862 2103449 8070079 2837730 1002273 546523 1124874 906434 sn-glycero-3-Phosphocholine sn-Glycero-3-phosphocholine 286114336 698239872 313737216 201884656 3885465 5647484 3541382 3788845 736697472 150143296 476538464 282813312 8310694 1699358 1601523 1450671 [SP (14:0)] 1-deoxy-tetradecasphinganine Xestoaminol C 122865 121692 113469 102816 170221 195057 188900 192123 115644 119248 124905 116024 203227 98655 182671 209085 [SP (3:0)] sphinga-4E_8E_10E-trienine (4E,8E,10E-18:3;O2) Sphingosine 518449 336172 375450 331827 140207 62283 107032 438679 224673 830937 281332 75622 26685 92238 79878 [SP hydroxy_hydroxy_methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol 145070 243085 268793 228856 177729 78004 189865 53942 301351 225845 100775 308407 85824 87632 127238 148160 [SP] Sphing-4-enine-1-phosphate Sphingosine 1-phosphate 332422 509358 481980 516929 398304 374848 234615 476053 Suberic acid Suberic acid 56893 66835 64134 56286 42447 38826 38424 44687 65895 56193 71442 67209 40962 37464 41216 41437 Suberylglycine Suberylglycine 579261 980314 897699 675167 11666 10850 10383 11302 821500 1068224 896344 578402 10234 10318 9844 10303 Succinyl proline Succinylproline 175045 89306 109270 179975 72170 172287 Thiamin diphosphate Thiamine diphosphate 140134 498703 243021 173925 436338 409678 147175 Thr-Cys-Tyr Thr-Cys-Tyr 238788 182876 223443 157292 264990 200607 215508 216849 Tiglylcarnitine CAR 4:1;2Me 9013950 5073024 9066423 4038755 42020 5659288 6877110 7256419 6929621 23907 39360 58067 31059 trans-3-Octenedioic acid 261387 50492 38871 41624 70843 48700 209181 191491 68898 72105 58698 Tributyrin TG 4:0/4:0/4:0 1553859 1369640 1534072 1251607 1437286 1432310 1363358 1475501 Trimethylaminoacetone Trimethylaminoacetone 1618615 1407429 1286066 1345783 1392203 1339733 1645032 1379175 1452819 1390031 1443812 1255676 1448097 1392410 1440493 1295343 tropine Pseudotropine 617283 563459 574487 522265 636579 662261 585047 533713 689110 528645 646271 602006 684230 598441 539929 535490 Trp-Asp-Gly Trp-Asp-Gly 18631 67976 118846 97806 118614 15478 64834 16533 23510 162877 54985 159807 143256 Tyramine Tyramine 312569 186405 197724 151982 46412 42067 43499 38331 300529 275509 119570 247896 36825 57693 39169 44876 Tyramine-O-sulfate Tyramine-O-sulfate 390149 190459 299684 245243 357160 349012 365784 240417 U 0521 446809 471146 635592 597460 11629 10499 8797 7709 413592 505853 415943 739991 11562 9643 10121 9769 ubiquinol-1 2164587 1416283 1949528 1106669 33640 58216 1366649 1455131 1797930 1552264 70788 47754 UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate 651868 1040231 1339287 1140591 1376268 922255 680887 1239344 Umbelliferone Umbelliferone 3222592 3046103 3144519 2560139 2828599 3302349 3766596 2568854 Urocanate Urocanic acid 223681 403529 246507 291616 274428 306849 168058 185514 1555643 401908 278454 395690 135166 129220 153662 171536 Val-Val Val-Val 257452 171387 195118 186296 225112 84697 141876 192112 Vanillacticacid Vanillactic acid 530207 1415645 1393466 841306 1063777 1424826 1779993 722405 Vinylacetylglycine Vinylacetylglycine 51956 70276 77235 78816 12459 12023 12608 12857 103538 112616 91390 105800 11685 14148 15494 16334 Xanthoxin 1151325 714722 979972 588682 183573 155739 128465 162823 718065 650667 1041016 924702 202099 147252 143624 151659 ZAPA ZAPA 145634 106230 30796 68092 91790 96998 103522 120326 79344 28467 α-(2_6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 450243 558250 407869 481228 697580 307246 501783 318201 γ-glutamyl-L-alaninol 602649 332894 604685 542918 600611 424616 399148 424693 γ-glutamyl-S-t-propenylcysteine 381704 107210 301201 136039 358350 178239 687377 149954