Metabolite_name RefMet_name CP_control_1 CP_control_2 CP_control_3 CP_control_4 M_control_1 M_control_2 M_control_3 M_control_4 CP_isoprenaline_1 CP_isoprenaline_2 CP_isoprenaline_3 CP_isoprenaline_4 M_isoprenaline_1 M_isoprenaline_2 M_isoprenaline_3 M_isoprenaline_4 Factors - Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline Treatment:Isoprenaline 10-oxogeranial 718506 798068 894016 828441 99298 118054 97601 72105 968407 1043104 645811 808037 110222 110057 107822 129160 1_2-Dihydroxy-5-(methylthio)pent-1-en-3-one 1,2-Dihydroxy-3-keto-5-methylthiopentene 128009 143526 82770 82895 104473 106236 111225 1-(3_4-dimethoxylphenyl)ethane-1_2-diol 2253969.5000 2344795.5000 2529187 2626402.2500 24884.8945 23943.0879 72337.1172 21073.4512 2573535.7500 2426413.7500 2400712.2500 2720488.2500 48928.7109 70432.2422 65148.0703 44087.2539 1_3_5-trimethoxybenzene 1,3,5-Trimethoxybenzene 3325981 2595278 2861495 2708132 249493 126663 299853 188825 2800746 2892654 2840487 3198397 130016 231812 316261 118758 1-4-beta-D-Glucan 1,4-beta-D-Glucan 271673.4375 418854.9688 190978.6250 312690.4375 103208984 98454760 87038312 72261040 258364.9844 364455 286183.5938 563532.4375 85607496 72905392 70189096 66750448 1_6_6-Trimethyl-2_7-dioxabicyclo[3.2.2]nonan-3-one 1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one 549236 683482 682421 848604 115012 112456 78626 82676 750050 704671 736876 717618 140883 144192 116781 97353 1_6-diaminohexane 362146 619723 373135 2780056 221525 254019 216879 316469 579922 9925598 20815882 1171528 589916 223650 217525 150816 1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide 1317267.1250 914970.7500 1416938.5000 1168540.7500 139553.2344 131518.2188 179447.9688 144879.5938 1950125.5000 1143720.8750 1615587.2500 1534248.5000 140849.1875 113036.2813 117134.4688 139488 1-deoxyxylonojirimycin 459331 329213 643702 293829 21053 461631 398759 585074 383572 1-methylguanosine 1-Methylguanosine 340948.5625 292114.5938 388260.7500 273486.3438 216380.8125 196813.5000 272383.7188 171316.4063 650225.9375 343282 427050 450706.0625 205783.5313 230989.0781 254890.7656 224777.9063 1-Methylhypoxanthine 1-Methylhypoxanthine 571874 471745 653465 512051 130230 133366 129227 119096 1153349 581452 617888 613478 161648 145949 156318 143790 1-Pyrroline-2-carboxylate 1-Pyrroline-2-carboxylic acid 964046 263934 1077211 887169 25795 27051 25166 47033 462306 788177 1019361 1201571 23622 34530 26831 23895 (1-Ribosylimidazole)-4-acetate Imidazoleacetic acid riboside 141942.1094 102065.3359 177491.6094 151620.3750 286746.1563 228726.3125 300073.7813 239409.9219 2^_3^-Cyclic AMP 2',3' cyclic AMP 319526.0938 110040.6484 288033.6250 218988.5625 238703.5000 178843.8594 353706.7500 258219.6094 2_3-Dimethylmaleate Dimethyl maleate 1119357 1320544 1046085 807125 2520829 2686675 2396841 2397688 2086234 1825510 843631 800633 2590738 2926169 2228874 2607661 2-(5_6-dihydroxy-1H-indol-2-yl)-1H-indole-5_6-diol 156278.6875 197529.1563 186783.2344 195030.6094 185781 168241.3438 221437.9219 190981.8438 2_6-Dimethoxybenzoquinone 1384801 1202227 1359790 1518484 1364220 1380676 1695684 1574943 2-acetamidoglucal 1176203.5000 791193.9375 1532284.3750 1135029.7500 1617563 1232741.3750 1267397.3750 1588748.2500 2-(Acetamidomethylene)succinate 375571 177174 387095 339136 400085 357562 444363 517282 2-(alpha-Hydroxyethyl)thiamine diphosphate 467247.1563 120895.0547 538963.1875 364548.9063 282509.1875 460428.4063 520691.7500 638192 2-amino-3_7-dideoxy-D-threo-hept-6-ulosonate 77092.5000 48230.1914 108023.1328 77280.9609 152958.4844 114611.1641 111648.9297 138367.8125 2-Aminobutan-4-olide Homoserine lactone 40724 33621 50316 61837 26573 30518 34346 27074 80767 84222 44707 48733 264197 336615 252232 252899 2 -(Butylamido)-4-hydroxybutanoic acid 1053212 1035633 1195022 1425854 234583 216643 232952 226886 1104140 1539217 1126809 1414859 227248 236104 227592 237515 2-chlorohexadecanol 2-Chlorohexadecanol 3916145.2500 3481997.7500 3033694.5000 3013317.5000 4044638.7500 4928474 3661503.5000 4041852.5000 3236803.7500 2278829 3039422.7500 3660246 4193681.2500 3671332 3869567.7500 3419319.2500 (2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone 834697 664159 710224 663006 860092 638652 913975 866371 2-(Formamido)-N1-(5^-phosphoribosyl)acetamidine 238940.1094 240819.2344 342392.2188 180900.0313 63691.0820 128843.4766 61584.6680 72024.7109 2-Hydroxyadenine 2-Hydroxyadenine 232753 132781 236229 142461 148883 201934 166648 135653 311718 177583 214869 194577 213504 167683 215106 209533 2^-Hydroxydihydrodaidzein 2'-Hydroxydihydrodaidzein 208509.8438 222655.4688 390243.0938 451785.7500 264898.8438 436405.2813 488505 486576.0625 2-Isopropylmaleate Isopropylmaleate 120926 78522 107344 86302 142233 146610 160448 109866 117902 97782 108472 93351 116713 116496 104084 116050 2-Methylbutyroylcarnitine CAR 4:0;2Me 126618.7656 107740.8750 174136.2500 121566.7969 170169.2813 171585.3125 133517.5625 122487.8594 162160.3750 144265.3906 120216.2500 160713.0781 126232.6875 142149.0469 133039.8594 131875.5938 2-nitro-1-propanol 2084500 1347805 2446578 1627816 58977 37849 87384 41274 2034661 1713008 2261379 1821679 54548 50599 61810 62604 2^-O-Methyladenosine 2'-O-Methyladenosine 922958.2500 512321.0313 1094362.8750 783659.3750 284593.3750 250982.2813 246725.7813 203083.1719 1102537 774020.8750 1115966.5000 1178013.5000 270888.7188 199376.8750 265118.7188 277424.8750 2-Oxobutanoate 3-Methyl pyruvic acid 33731 2-Phenyl-1_3-propanediol monocarbamate 102031.7734 42900.1367 120727.4688 96879.1328 7161.9507 6209.7021 5303.1572 6047.0420 100620.5625 102670.6875 118329.4922 99365.5234 7052.5322 5933.7954 6084.0767 6167.5669 2-S-Glutathionyl acetate 10040688 4245671.5000 14857082 15812460 12108673 10973559 11114556 11698759 3_4-Dehydrothiomorpholine-3-carboxylate 267445 405593 209281 139019 466191 440642 871928 577416 281054 306480 241461 130714 321152 468675 379036 732140 3_4-Dihydro-2H-Pyrrole-2-carboxylate 685660 461735 623881 486760 154870 156781 127789 145801 656530 544054 684182 644354 129336 137423 148888 115695 3_4-Dihydroxyphenylethyleneglycol 3,4-Dihydroxyphenylglycol 2056516 1443026 1632842 2261817 12109 1399029 1725707 2072984 2007068 6114 3_5_7-Trimethyl-2E_4E_6E_8E-undecatetraene 42279312 47313728 47782056 28015090 5070228 1735734.5000 1922253.3750 2036574.7500 57132112 11467070 33797144 15571008 3691014.5000 1730320.5000 2183746.2500 837556.6250 3^_5^-Cyclic AMP 3',5' cyclic AMP 689689.0625 320344.9688 644249.0625 489718.8438 863643.1875 592751.3125 887183.6250 603959 3^_5^-Cyclic CMP 3',5'-cyclic CMP 363949.2500 527687.1250 783970.6875 252841.6875 1038562.3130 538530.6875 697817.0625 371122.0938 3_5-dihydro-5-methylidene-4H-imidazol-4-one 143363.5313 181500.3594 169022.4531 223292.2813 163435.3125 207076.4844 159023.3125 223849.9219 3_6-Nonadienal 3,6-Nonadienal 428594 380322 355532 340443 46182 77386 67602 38715 357627 356008 345774 383506 87442 69649 46518 74930 3-Amino-2-piperidone 3-Amino-2-piperidone 94531 58326 109324 103554 96949 119662 97523 81850 197886 168651 118004 130684 123809 104678 90942 110099 3-amino-isobutanoic acid 3-Aminoisobutanoic acid 426225 364719 395862 379287 325344 332871 292235 289182 335612 330750 347247 323945 438061 297378 354291 354431 3-Butylidene-7-hydroxyphthalide Phthalide 244833.6719 134788.4219 288497.2500 276843.3125 107977.8594 79577.2188 80552.8828 96052.1250 406229.9688 388512.7813 257190.2500 395883.5313 106121.8125 101457.2891 75695.8047 77275.3203 3-Butynoate 3-Butynoic acid 291437 224912 367573 235700 1312516 1360505 1064022 1333198 453801 322181 292291 291378 1354372 1411737 1178131 1513772 3-Dehydroquinate 3-Dehydroquinate 23475 185022 165843 166176 151850 32797 26882 191217 161253 233387 175166 3-Dehydroteasterone 3-Dehydroteasterone 252629.2969 258230.0625 257733.3906 273902.5625 125844.7500 432747.3125 265841.9688 97268.9062 300895.2500 346646.6563 159500.5313 258308.9531 192967.2500 45141.1211 82987.3125 1064572.7500 3-Dehydroxycarnitine 3-Dehydroxycarnitine 121207 109629 122747 77334 193636 239959 214924 220540 190806 148887 101959 103335 224892 222751 225851 238524 3Hydroxycoumarin 199597 115756 189846 210551 5604 6507 6829 5980 154949 112442 184454 370357 8110 7556 6797 6927 3-Hydroxy-N6_N6_N6-trimethyl-L-lysine 3-Hydroxy-N6,N6,N6-trimethyl-lysine 231016.7813 184065.5625 263027.9375 208920.6094 336006.2188 239274.5469 295265.0313 247778.3125 3-Isopropylcatechol 3-Isopropylcatechol 187682 215548 291414 341551 23583 210836 412650 193047 335270 3-Methoxy-4-hydroxyphenylethyleneglycol Vanylglycol 1852550 968228 1571324 1199050 21233 63406 6347 5425 1281811 1382682 1442125 1804424 15426 10033 17426 8831 3-methylarginine 61693 72472 76007 55831 117309 91997 113976 98032 98505 94073 63057 61047 104078 102228 100550 101685 3-Methylguanine 3-Methylguanine 461478 447426 834077 428453 649192 670058 728900 596054 849496 650133 685888 573680 855611 727871 983747 780655 3-nitro-2-butanol 902769 417372 917893 611522 26581 28176 31164 28170 999128 722148 870848 656890 36035 30899 35867 39202 3-nitro-2-pentanol 2984845 1095940 2828089 1661750 21207 31608 64065 12756 2006337 1620524 3176026 2676172 31370 34245 28372 (3R)-hydroxy-N-acetyl-(L)-arginine 3555459.2500 2971145.5000 3880210.5000 3264063 6668387 5512322.5000 2879542.2500 4171021 (3S_5S)-carbapenam 466305 190001 405943 160724 38951 30860 291235 167108 369300 207315 38830 40257 3-Ureidopropionate Ureidopropionic acid 94476 102267 137816 94345 976740 1098115 985965 1063544 163084 127639 121982 104656 1089721 1103351 1040809 1060791 4_8-Dimethyl-1_3E_7-nonatriene 403601 641677 695176 871039 414525 252280 265900 209050 824815 694748 726309 627349 418823 190535 248454 35998 4-Hexyloxyphenol 454921 684785.3125 412189.9063 612301 40794.0078 127641.6641 162942.1250 96601.6484 519294.3438 387465.3125 551154.1875 572758.0625 127020.6406 194232.4063 80680.5781 90508.2344 4-Hydroxy-2-butynal 4-Hydroxybut-2-ynal 228320 454165 429030 206888 590550 624374 454689 620964 453801 472096 148169 148366 610228 553726 451961 547876 4-hydroxycoumarin 4-Hydroxycoumarin 80894 45924 72698 90784 5594 5011 4291 5279 107225 70386 90839 134342 6621 5134 5119 4143 4-Imidazolone-5-acetate 245314 106741 220216 240763 304842 308156 250424 286761 4-methoxy-3-indolylmethyl-glucosinolate 4-Methoxyglucobrassicin 518396.5625 501051.0625 510888.7188 520384.9063 486283.4375 506789.7188 508678.7813 441421.8750 4-Methylaminobutyrate 4-(Methylamino)butyric acid 1313266 1358181 1436972 1283418 1546704 1533339 1381641 1301484 1358112 1439009 1580882 1282954 1401828 1341135 1333900 1453610 4-Oxocyclohexanecarboxylate 961198 521397 973482 790121 251970 146408 208452 260876 411165 761584 341929 893257 143648 147746 209960 85233 4-Pyridoxolactone 4-Pyridoxolactone 397996 378412 367800 396024 384304 431008 447775 387360 354668 429164 358949 362623 425025 456111 430624 437686 4-(Trimethylammonio)but-2-enoate (E)-4-(Trimethylammonio)but-2-enoate 70516 81140 74170 88158 73776 86932 86700 108492 81444 63248 88582 55124 94708 89505 81562 90009 4-Trimethylammoniobutanoate 3-Dehydroxycarnitine 3598654 1993695 3546522 2904452 255706 341570 220244 362200 4508875 3104656 3854493 3584908 366673 263172 250138 262486 5_6-Dihydrothymine Dihydrothymine 102338 70190 64832 70703 102395 89660 124251 102199 89475 82288 89632 66720 137421 111986 124259 132908 5-6-Dihydrouridine 5,6-Dihydrouridine 310994.8750 191210.3906 336875.7500 284530.1563 88192.1875 135107.9063 127484.9688 95339.6875 430221.6875 320484.6250 345476.1563 307428.0313 145862.6563 85921.7109 113828.6719 121637.5234 5_8_13_13a-Tetrahydrocolumbamine (S)-Tetrahydrocolumbamine 213641.7500 168905.6875 174430.4688 180461.7500 195789.9375 333506.9063 176836.2813 229652.8438 155725.5781 268154.3750 161778.7188 166750.9219 237613.5000 176230.3125 270190.9375 258592.8906 5-Aminopentanoate 5-Aminopentanoic acid 1886744 1696228 1713275 1645792 1557606 1371669 1365875 1317170 2232539 1224384 2247578 1977177 1235869 1508663 1185314 1371844 5-Ethyl-7-methyl-3E_5E_7E-undecatriene 417255.8125 292747.4063 492710.8438 327099.9375 508986.7188 109026.3047 293304.2813 157404.4375 5-Guanidino-2-oxopentanoate 2-Oxoarginine 412894 170148 522200 495005 562982 811023 807308 868596 257140 239572 352137 441139 721429 1036861 672187 842926 5-guanidino-3-methyl-2-oxo-pentanoate 1466813 2057338 1909865 2176091 1735825 2702175 1631714 2293439 5-Hydroxyectoine 5-Hydroxyectoine 80190 92518 68062 68823 33872 25192 80300 99497 108919 100164 5-Hydroxytryptophan 5-Hydroxy-tryptophan 293806.4375 217351.4219 312625.9688 228091.6250 193316.3438 246998.9375 178004.4219 216569.5938 291606.0625 250633.8281 263875.4688 222754.1406 195340.8125 182858.7656 220744.4375 217818.9531 5-Hydroxytryptophol 5-Hydroxytryptophol 199335 127601 250758 177379 23066 20677 62956 47879 291165 180992 267140 176797 21981 37457 23536 5-Methyl-2-furaldehyde 868566 659190 777132 773255 65643 99770 102273 143747 780898 938983 767639 915653 99221 88890 77948 130980 5^-Methylthioadenosine 5'-Methylthioadenosine 11086383 5159102 13761094 9556917 560452.5000 641110.8125 909848.9375 757005.5000 9254007 8124723.5000 13863614 14540024 554366.5000 715956.6875 967042.5000 937973.6875 5^-methylthioformycin 916730.6250 643456.9375 1203921.5000 723221.4375 957582.8750 726166.3125 966992.5625 799921.1250 5^-Phosphoribosylglycinamide GAR 412617.4688 466839.9375 394439.3438 492280.5625 314976.4063 286186 170197.7031 234224.3906 5-Valerolactone 5-Valerolactone 374111 309771 315221 299450 17498 21108 22352 18048 407464 339824 339256 329774 26578 19931 19654 19401 6-Acetyl-D-glucose 6-Acetylglucose 332613.8125 22572.5977 404264.5625 288820 22708.3594 31003.6602 33365.8281 39350.1523 306992.3750 203107.6563 504729.4375 504583.7500 27759.8184 34287.2383 35909.4805 29840.3223 6-Amino-2-oxohexanoate 2-Keto-6-aminocaproate 165087 187068 268198 179820 306097 383946 307288 301880 232848 229041 148642 148218 297819 361583 325754 314204 7_8-benzoflavone 7,8-Benzoflavone 394304.5000 378121.3750 324223.7500 176474.2656 48604.8828 57860.5430 53170.5156 47935.9414 367789.6563 259288.5469 440866.5000 358781.3750 48906.5352 44707.6914 53854.4102 49441.4375 7-Methyl-2-hydroxy-6-oxoocta-2_4-dienoate Vanylglycol 4054950 3170519 4126644 3883768 25116 49618 13151 4717635 4189365 4660807 5438275 15703 14605 15070 7-Methyladenine 7-Methyladenine 117193 51015 110379 80885 128163 86559 124029 120830 7-Methylguanine 7-Methylguanine 727969 692752 572240 296879 682141 451664 659085 510565 8-Hydroxyadenine 8-Hydroxyadenine 143546 95436 116771 40664 194883 105388 190320 149181 8-Oxocoformycin 651648.6250 527478.9375 766323 592553.9375 156235.8281 279626.2500 168292.5469 167283.4219 1212343 719203.1250 851966.2500 735370.6250 296132.9375 183953.8906 193489.2500 197428.7500 9-methylthiononylhydroximoyl-cysteinylglycine 582623.0625 275362.2500 443589.8438 325375.2500 7431930 9239015 8082756.5000 8096759.5000 1626771.2500 1913208.2500 427723.2813 573756.6250 6978393.5000 9048630 5709416 5436295 (Ac)2-L-Lys-D-Ala (Ac)2-L-Lys-D-Ala 181268.6719 76078.2344 320104.0625 274109.1563 183695.6563 172479.4844 182378.5313 186088.9688 Acetyl-CoA Acetyl-CoA 3009026 1971542.7500 3185013.2500 2256142.5000 2930850.5000 2062158.2500 3154535.7500 2660489.7500 Acetyl phosphate Acetylphosphate 66194 144196 129623 166957 112533 144567 190857 a Cysteine adduct 5339807 1497870.8750 4318951 3763568 192034.8125 220079.4375 164235.5000 215387.3906 7577816.5000 7678328 4898540.5000 5229730.5000 218690.1250 177443.7188 240905.5000 256540.0156 Adenine Adenine 2091333 226313 2592062 1230362 84168 78790 92446 95294 1942272 1107983 1580647 1755331 70486 84700 70610 156279 Adenosine Adenosine 28828700 1450390 45245272 19468696 82836.8750 60500.6523 130386.7344 47502.7266 53591128 35041928 47581184 41412944 49084.5625 95884.1641 76831.8828 103418.6250 ADP ADP 5747175 2836715 6285491.5000 5541233.5000 5855543.5000 5923428.5000 7357336 6754571.5000 ADP-ribose ADP-ribose 659845.6250 164393.3438 574333.1250 575281 626045 490573.6250 715489.7500 768187.5000 Ala-Ala-Ala Ala-Ala-Ala 125890.2031 114082.6563 117310.8125 139925.7500 89692.0078 110990.9609 105577.0859 65675.2188 Ala-Ala-Ala-Asp 6757952 7177975 3790525.5000 1620684.5000 5522874.5000 7583526.5000 5102440 6300225.5000 9493878 7513087 2233818.7500 2239508.2500 6474986.5000 6244000.5000 4571229.5000 4816269 Ala-Ala-Ala-Ser 362629.9375 244125.5625 503932.2500 515712.6563 387955.1875 399362.8125 396733.8438 446510 Ala-Ala-Gly-Arg 711401.5625 618492.5000 857794.3125 552619.6250 981865.6250 620510.8750 965366.7500 666334.3750 Ala-Ala-Ser Ala-Ala-Ser 98700.3438 86901.6094 96473.5000 100520.9531 73896.2578 86437.2656 74874.8516 69077.0625 Ala-Asn-Ser Ala-Asn-Ser 1265101.2500 925628.0625 1321475.5000 1240379.8750 234585.4844 232144.4531 233035.4844 240896.6406 1343927.1250 1223189.5000 1022954.6880 1021650 238898.4375 263818.1875 255054.4844 280022.6250 Ala-Asp-Arg Ala-Asp-Arg 761116.7500 458351 769869.3750 680942.3125 678936.9375 489750 625411.3750 709642.4375 Ala-Asp-Asp Ala-Asp-Asp 365658 186554.5313 261360.2031 156916.3750 325818.5938 248398.5781 342142.7813 319842.3438 Ala-Asp-Asp-Cys 206044.6563 117855.5938 173795.5625 192613.7656 220766.1094 141094.0781 170616.4063 182394.5469 Ala-Asp-Cys Ala-Asp-Cys 4416761 3160937.5000 8566438 4307877 326857.4688 147300.9844 330251.3438 369895.2500 9485754 6684017.5000 8770150 7838376 178103.4844 227187.6719 167900.8438 193610.8438 Ala-Asp-Gly Ala-Asp-Gly 623431.1250 357914.4375 606074.4375 293269.5938 184531.3125 207220.7813 222852.5469 190343.8125 587962 396896.3438 517984.0938 452615.8125 283841.0938 242249.3438 230127.8906 264754.0625 Ala-Gly-Pro Ala-Gly-Pro 153472.1250 225349.0469 177770.8906 140793.1094 894475.3125 1042271.8130 908494.6250 857113.0625 317409.5938 316471.9688 154434.4219 181172.3125 867454 1104250.8750 956415.4375 1019232.9380 Ala-Ile-Gln-Ile 382489.5938 247212.0156 344005.1875 266844.2813 336645.7188 137326.0469 122030.2969 236619.3438 Ala-Leu-Gly-Arg 333151.4063 212037.0781 244306.0938 185017.0938 451419.4063 799664.2500 394161.9375 377270.0313 410200.1250 414329.4375 170771.7656 195849.3750 702478.5000 373050.4375 489292.5625 583798.8125 Ala-Leu-Met-Ser 897111 879048 923570.6875 673520.2500 657065.5000 1540510.3750 780771.2500 780034.8750 1066074.6250 838539.8125 740846.4375 732088.0625 1287744.5000 677691.8125 1128192.7500 1166260 Ala-Lys-Trp-Val 189070.6719 174380.1094 166851.7969 172561.9688 190393.5000 208297.0469 193632.3438 188780.7188 187235.7500 171377.4844 198311.4219 167646.5469 192398.0938 182221.0469 179872.6563 188796.7031 Ala-Thr-Ala-Ala 134031.1719 125587.3750 110113 98141.3906 131494.6563 80884.2734 55341.8945 Ala-Thr-Ala-Gly 183595.6875 105516.6406 200822.0469 141488.8125 183058.2813 149420.3906 215624.5781 162205.7031 Ala-Val-Asn-Asp 596606.5625 675470 624529.3125 624072.6875 633326.4375 643468.3125 653035.1875 642832.9375 Aldicarb Aldicarb 174617 247284 254803 293024 237896 312161 199472 373886 Allantoate Allantoic acid 222665 231383 202884 191359 198566 183708 210175 236608 Alliin Alliin 189327 224167 207381 202863 244055 215194 252043 196829 allopurinol Allopurinol 102427656 329655 493744 317187 360704 374445 387205 274897 647081 517214 444355 425006 460252 404938 493610 413227 alpha-Methylstyrene 837496 969957 709425 530093 6629377 9191239 4269050 6693297 1040876 323294 533084 376871 4628714 5130866 4485863 11961716 AMCC N-Acetyl-S-(n-methylcarbamoyl)cysteine 1274068.5000 662459.3125 974088.1875 405172.3125 945734.4375 736919.8750 744619.1250 477168.4375 Aminoimidazole ribotide AIR 1035269.1250 1220415.8750 1185915 813900.0625 AMP AMP 2458303.2500 1486347.8750 2344781 2467588.5000 63357.8594 51797.9180 76760.7188 75332.7266 2216195 1650526.5000 3884067.5000 3594520.2500 35247.4336 51146.0898 33234.6484 53860.6953 Anthenoside A 9175949 10326225 8763554 8768191 5790120 4329854 4290325.5000 4161656.7500 11405728 11271540 8438377 9083827 3348691.2500 3445794.5000 4623728.5000 5684382.5000 Anthranilate 2-Aminobenzoic acid 681952 1236236 540511 1663491 290094 387703 362497 227482 640332 848398 1015834 896672 362189 239533 287169 293855 Apiole Apiole 325081.5000 380922.5000 331093.6250 299288.2500 1577422.3750 508735.7813 1368295.6250 668362.4375 291335.5313 342749.7500 377736.7500 341190.9063 2368495.5000 594651.8750 1436219.7500 442398.6563 Argininicacid Argininic acid 1206522 882464 1755789 1012581 416152 457309 461666 547631 1268653 870233 1147134 955496 436919 480397 352573 361695 Asn-Met-Cys-Pro Asn-Met-Gln-Pro 10931621 519549.2500 15787307 7055067.5000 19872300 12506846 15072430 15192060 Asn-Val-Asn-Ser 906526.6875 1036226.5000 841735 865562.6250 477775.4375 731819.8125 405474.9063 553454.1875 832363.3125 880425.1875 914035.5000 894744.5000 565964.6250 352205.8438 541437.2500 508676.9063 Asp-Arg Asp-Arg 323327.4063 203576.7656 386583.3438 277257.4063 420243.5625 339419.2188 487045.2813 384172.4063 Aspartyl-L-proline Asp-Pro 1109844.1250 877924.7500 1115449.5000 693939.4375 1460991.7500 1073261.2500 1071608.7500 1082316.3750 Aspartylysine Asp-Lys 234873.3281 131208.5156 266975.9688 208173.6563 298972.3125 204452.8906 290794.9688 275049.1250 Asp-Asp-Pro Asp-Asp-Pro 653516.9375 360773.4063 697500.5000 429149.4688 547959.1250 479481.2813 767355.9375 546576.5000 Asp-Cys-Cys-Gln Asp-Cys-Cys-Ser S-Glutathionyl-cysteine 4843655 6865177 2199432.7500 621813.3750 112028.5234 101593.2344 77598.9609 70796.9766 4978977.5000 4311301.5000 1719446.5000 1086389.3750 93177.1328 90287.1797 92750.6875 96615.3047 Asp-Gln Asp-Gln 743927.6875 634343.8125 613364.0625 562399.6875 497615.6250 681978.6875 534937.7500 461014.1875 Asp-Gln-Gln-Pro 166635.5625 111358.7109 155993.2344 119299.5391 212261.4688 155302.9375 192651.4219 152150.7656 Aspidinol Aspidinol 704607.5000 666352.3125 549960.8750 675569.5625 28576.5762 14673.8857 17486.5762 23396.7324 646578.3125 584664.7500 683058.1250 868516.5625 33977.1641 32380.7012 28596.3340 23244.0684 Asp-Met-Asp-Gly 11021371 1964731 9340946 3012707 10782924 5006205.5000 11893668 8812959 Asp-Pro-Ser Asp-Pro-Ser 639238.8125 938802.1250 731051.3750 773033.6875 784873.3125 954319.3750 603383.4375 863138.5625 Asp-Thr-Cys-Cys 50811.6133 128618.8516 51186.6133 154020.4688 155135.3594 Bendiocarb Bendiocarb 166415.8906 93101.0547 209531.4844 149483.9844 188984.7500 204685.2969 122747.8672 161874.5313 Benzene-1_2_4-triol 1,2,4-Trihydroxybenzene 612158 692922 485403 369766 746841 1599487 764710 816418 868000 925115 519372 447203 816336 788339 692353 841144 Benzyl (2R_3S)-2-methyl-3-hydroxybutanoate 437636.3125 397433.6250 384807.9375 448174.9375 37354.1367 22547.3262 39940.1523 49606.4531 417212.0313 417187.2188 388844.7500 504558.9063 39759.3438 39344.1914 31496.6797 38667.6016 beta-Alanine beta-Alanine 3174842 6478398 3250537 3047336 407101 315929 455481 8530748 5179947 3871931 3781528 3658418 9177083 8167752 7920439 7367269 beta-Citryl-L-glutamic acid Beta-Citryl-glutamic acid 17850654 13698246 18980530 15059311 77306.6797 100707.1875 102956.3047 71673.6016 21178620 15228714 18591374 15490763 85800.0078 90706.7188 101896.6016 95447.9844 Betaine Betaine 12443854 9690806 12387330 7724933 16214115 14751079 11870381 11077804 18133438 10767111 14694645 10865604 12865679 13128461 11497279 12585943 Betaine aldehyde Betaine aldehyde 275449 441301 364183 238521 309645 237547 250458 227227 404288 221725 274432 257931 394333 268494 241442 365262 Biotin Biotin 2443760.7500 1650223.7500 1966383.7500 1362008.6250 1705791 2290169.7500 1908804.8750 1841168.5000 2265094.7500 1709733.6250 2034600 1528171.3750 1987226.7500 1844157.3750 2000804.3750 1805831.8750 Boc-Asn 90375.0078 33391.3008 307041.3750 615097.5625 174009.9063 156995.1563 259214.1719 437760.6875 Botrydial Botrydial 866887.9375 1133290.2500 973923.9375 956337.3125 16734.9922 31957.3789 21352.6680 770344 981021.1250 925129.9375 1123044.6250 80152.2188 40034.5625 17986.8281 Calystegin B2 Calystegin B2 213743 116212 226604 212934 26119 46155 27544 21972 201403 219590 299383 243425 22096 25478 28031 32050 Caproylcholine Caproylcholine 356750.8438 289630 236698.5625 253410.6094 39177.1133 54676.2344 212025.4844 79087.7344 271502.6563 219094.0781 204268.7188 290220.4063 61782.1523 108510.0859 52284.0547 68584.7656 CAPS 505800800 471488800 510955872 472692000 94142256 101431840 86041280 91535112 532916896 505470528 482580096 517848672 95333328 97805232 97312960 91976208 Carboxin 20702482 1628483.7500 5368496 6148335 27654892 1478078.2500 6825508.5000 722927.1875 Carnosine Carnosine 129146.8047 148220.4375 97983.7031 308381.1563 331600.2500 307727.6563 315384.9375 249042.7188 127392.8047 69813.9688 75833.7188 329936.1250 289478.2188 333889.4063 334609.7813 Catechol Pyrocatechol 92177 78412 62423 65585 212248 256775 282679 205734 68539 65519 70726 69960 215121 292875 244819 222378 CDP-choline CDP-choline 53948852 35448796 60363224 44632584 90374.6094 83251.8750 58208484 47875820 51535956 49801956 65494.1328 92666.5469 131533.4531 100006.8125 CDP-ribitol CDP-ribitol 312543.8125 191319.4219 306674.5000 231740.3438 336011.6875 276999.9063 261763.8750 306794.1563 Cerulenin Cerulenin 440869.6563 432925.6250 456902.8750 336196.5938 448846.9375 383139.2813 414804.5625 330651.1563 421332.6250 385829.7813 443460.2500 367257.8125 436768.7500 413052.6875 414017.6563 415391.1563 CHAPS CHAPS 104776104 101324312 108652344 109495656 15831691 21352840 17208598 16026355 116289552 119012312 110490120 115307984 20335716 15675537 20014618 18547012 Chelilutine Chelilutine 868777.1875 406825.7188 1394151.5000 1317935.6250 901381.8750 933366.5625 973052 1017842.9380 Choline Choline 428788 203010 850806 707523 5514939 5975006 5579651 5339436 490306 581685 506896 746891 5059777 6219045 5757581 4920717 Choline phosphate Choline phosphate 2438748928 2200291840 2353938176 2244306432 11644712 9854632 11017674 9565490 2531181056 2258294784 2348332032 2280350976 13061891 11611633 11973788 10783588 Cinnamaldehyde Cinnamaldehyde 539492 637457 284054 437707 353248 348869 252614 731993 Cinnamyl alcohol Cinnamyl alcohol 198211 145348 160347 202071 1818141 2037593 690763 1673250 114312 196400 170392 159843 1012783 982652 928193 2987364 cis-4-Octenedioicacid 802829 331545 386269 462297 58604 58069 55595 63924 448448 372000 399702 468272 57349 54333 62107 58309 CMP CMP 809164.2500 499260.8750 761997.8750 586473.0625 790163.4375 678042.5625 813819.8125 856955.1250 CMP-N-trimethyl-2-aminoethylphosphonate CMP-2-trimethylaminoethylphosphonate 2510890.7500 1352015 2983047.7500 1647812.7500 1486688.3750 1774350.6250 1780725.1250 1845601.8750 CoA Coenzyme A 2363314.5000 1366403.8750 2660525.2500 1944314 2461702 1797317.2500 2787746 2027631.6250 Coniferyl alcohol Coniferyl alcohol 709645 744440 542380 666376 693983 600731 725388 826246 25031 24182 Convicine Convicine 932525.1875 671115.3125 1073206.2500 819115.8125 935617.6250 830334.5000 1029446.3130 773412.6250 Corydaline Corydaline 54463.3594 56069.3398 154814.7188 181021.4219 83426.6953 478714.2500 149317.3281 251721.3438 94510.6328 72994.6250 CPPU 2981912.2500 2917808.7500 2724157 2860910.5000 2833061.7500 3931721.7500 2621140.7500 2229616.2500 Creatine Creatine 517246144 215840160 447711808 326708960 15428205 16811740 17624840 16583370 516218560 407814016 594815424 455859744 17173666 17616314 17148168 17064542 Creatinine Creatinine 8947692 8549888 9555037 6381259 14779437 15481793 15261955 14280242 14505171 10504273 8589191 8256001 15289480 17204796 13779165 14600224 CTP CTP 6063598.5000 6544113.5000 8180218 6474313.5000 24679.2773 31080.7324 30652.9375 8773990 7232617.5000 7588279.5000 7487420 26246.5566 Cumene Isopropylbenzene 2433125 2703607 2534655 1553366 295840 82103 99289 92974 3533129 849191 1977902 1066312 216388 94540 171805 32153 Cyclohex-2-enone Cyclohex-2-enone 1194335 1207541 1194071 1050501 80322 50256 55615 83842 1178038 1051818 1207731 1396208 57971 30668 41750 16216 Cys-Cys-Gly Cys-Cys-Gly 339166.1563 386551.3125 411942.3438 428611 324842.2500 449303.8125 279478.3125 432182.0625 Cys-Glu-Glu-Gly 140837.3438 117674.8672 118789.8516 90361.7109 139873.0781 107040.3906 121518.4063 97266.3672 Cys-Leu-Met-Met 310531.6250 338738.3125 134441.4844 273607.8750 148315.0938 414454.7188 291839.8438 Cys-Met-Met-Met 139808.4219 203766.5938 171332.5938 130922.8125 118538.4219 197683.6563 202559.8281 Cystathionine Cystathionine 55500.7227 44878.6250 62010.8477 88248.2266 113899.3828 87180.1328 102869 58243.0898 51253.8906 87749.5078 92463.0547 89925.1328 132071.4375 Cys-Thr-Ser-Tyr 1956781 1786546.7500 1960819.5000 1855612.7500 56434.6328 1658130.3750 1912737.6250 1754365.7500 1536004.6250 Daminozide Daminozide 2567639 1676245 2712848 1603909 3475248 1082047 2739022 2027102 D-Apiitol Apiitol 164915 105192 86467 105880 80798 117863 91174 68870 98396 118586 101874 121034 129503 107295 117417 98135 D-Asparagine D-Asparagine 433325 300258 424517 295777 976740 1098115 985965 1063544 530217 483900 484621 434982 1089721 1103351 1040809 1060791 dATP dATP 1990729.7500 1597907.7500 2209776.5000 1829676.3750 2637251.5000 2396871 2892256 2566918 D_D-diaminopimelate 30444 43120 23888 23568 118202 114203 98702 110540 54505 46452 21436 27196 101563 118729 103087 114902 deacetylcolchicine 518026.5938 576948 651795.6250 392398.4375 566464.6875 598867.3125 537896.0625 536791.6875 Deoxycytidine Deoxycytidine 632123.3750 250675.3594 730852.7500 410732.3125 27781.8438 29031.5957 22974.8457 24138.6230 580819.6875 452593.5625 639854.5625 519924.5000 28165.5195 21658.3457 36844.5312 26467.7891 Deoxyhypusine Deoxyhypusine 67994.0312 88089.9609 88253.7031 45019.6172 111464.2500 76113.6797 115576.4453 73583.0625 Deoxymannojirimycin Deoxymannojirimycin 28662 33833 92471 81457 76047 77754 43656 44150 98693 76397 85943 119687 D-Erythrose 4-phosphate Erythrose 4-phosphate 1323430.8750 148484.4063 2654053.2500 2463540 3303260 2385793.7500 3773476.5000 4960498.5000 Dethiobiotin Dethiobiotin 147000.3438 100332.2344 205453.3594 106745.5938 160340.6719 132126.6719 147719.8906 134559.5000 D-Glucono-1_5-lactone 6-phosphate 6-Phosphonoglucono-D-lactone 719666.8750 656470.2500 855640.2500 1353059.3750 1363294.6250 1261751.6250 798173.3750 937553.5000 D-Glucosamine Glucosamine 2888029 2176394 2837418 2027072 13301742 14429832 11715709 13302174 4500426 3043737 2977838 3045177 14508075 14228856 13379282 14505033 D-Glutamate D-Glutamic acid 4581758 3803939 4018603 4291714 50848 63254 54703 43524 4146602 3735315 5779208 5365198 105180 42983 44354 64031 Di(2-ethylhexyl) adipate Diethylhexyl adipate 266314.0313 299854 239939.3750 338488.5000 179621.5156 177011.7500 122106.6953 88484.3281 1126740.7500 327956.6875 324280.4063 281159.7500 192955.2031 107498.1953 228533.7813 112292.0781 Diacetylhydrazine 430413 836919 599547 690088 590543 898464 366866 709347 Diacetylmonoxime 2,3-Butanedione monoxime 212461 129444 199334 124303 39762 32627 39370 31394 263447 181690 244586 200442 42061 44839 33386 45498 Dibutyl phthalate Dibutyl phthalate 1024442.1880 826104.8750 753131.0625 1159940.2500 562498.2500 468594.8438 520060.7813 460266.0313 1343408 1411581.5000 960993.6875 1103340.7500 740281.2500 508459.0313 534310.2500 500284 Diethanolamine Diethanolamine 177386 118539 160059 159957 85725 77407 73697 75166 102544 134101 143797 186878 88365 93182 81602 78305 Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one 1597058 1574586 1644365 1749896 186472 281593 123619 237964 1884624 1621112 1702731 1372741 247732 162682 125660 239962 Dihydroclavaminic acid Dihydroclavaminic acid 60401.1758 79873.6172 85185.8203 46834.6719 10651802 9146886 10323869 10628982 113550.1406 101251.6563 33265.4023 50556.9414 8703628 9884220 8679706 6973204.5000 Diisononyl phthalate Diisononyl phthalate 1396014.1250 682907.2500 815482.5000 730178.8125 531782.7500 1842033.3750 1069295.7500 572909.1875 938353.0625 1203137.2500 559250.1250 748178.0625 838793.4375 550874.1875 554454.1875 465658.6875 DL-Methionine sulfone Methionine sulfone 50485 30917 73085 43816 163676 158672 180163 163317 90142 97071 66630 82127 186074 147625 154204 170719 D_L-α-methylphosphinothricin 157528.6250 86852.1172 212319.8906 125874.9141 182706.9375 144699.0156 223325.2500 188377.4063 D-myo-Inositol 1_2-cyclic phosphate Inositol cyclic phosphate 1341010.6250 1221964.8750 1189015.7500 1859227.6250 1071358.2500 1409513.3750 1120240.7500 1277409.1250 2082123.8750 2203750.7500 1832564 1829534 1228477.2500 1351107.7500 1302418.6250 1074251.3750 D-Norvaline Norvaline 1238141 1221819 1142287 1079637 1063887 1216654 1218696 1092577 1100385 1099066 1217050 1197924 1142258 1120112 1125659 1095592 Dopaminequinone Dopamine quinone 1347342 773195 1009263 951782 1692469 1732524 1518320 1549815 808852 1226934 541659 962661 1656477 1819793 1694364 1446608 D-Proline D-Proline 13799799 13392343 11342554 3741923 131288 112703 116367 80041 13715879 10060433 9613663 6443284 87913 86214 108671 83980 D-Ribose 5-phosphate Ribose 5-phosphate 262622.9375 420162.1563 330874.7813 262488.8125 242111.7813 237619.4375 234708.2031 245684.0625 D-Sorbitol Sorbitol 1194529 832999 2041257 888513 9845562 10936393 10577517 10437118 1538879 1376031 1285916 1150039 10937999 11505292 11181297 9652086 ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol 9523543 11067890 9223914 7680817.5000 10318686 6579722 5054020 3072118.7500 Epinephrinesulfate Epinephrine sulfate 143508.0938 177086.6875 187153.2656 182437.2656 169823.6094 201638.6094 151353.2969 155038.7344 Epothilone A Epothilone A 1142591.8750 1255288.3750 1263348.3750 1025021.6250 1183017.2500 1291564.3750 1241437 1330853.3750 epsilon-Caprolactam Epsilon-caprolactam 177872 241801 178513 124385 182582 232074 158507 168797 107030 185974 225154 174512 271568 194932 182071 116341 Epsilon-(gamma-Glutamyl)-lysine Epsilon-(gamma-Glutamyl)-lysine 115435.3359 88525.9375 94506.4297 120156.0781 87051.5469 94127.5547 120139.1328 112199.9844 147793.5313 158639.8906 162140.2344 86530.2109 76532.4141 101997.5859 88476.4922 108234.1563 Ergothioneine Ergothioneine 931523.2500 398363.7813 784653.1875 549908.6875 117275.7813 77664.7031 77060.8125 80628.5625 737367.6250 642044.3125 940511.2500 665203.9375 79208.0078 53700.4570 137030.2500 83941.8984 (-)-erythro-(2R_3R)-dihydroxybutylamide 1704576 1071426 1979093 679090 4933 18105 1655881 1363856 1059762 1060562 13042 4008 20041 15790 Ethylphosphate Ethylphosphate 306913 174755 223806 275284 337196 201638 214335 256730 Eugenol methyl ether Methyleugenol 844813 851769 644650 902649 183724 183512 166710 198066 810149 802134 808548 933359 156492 157110 158622 176733 FA (12:2) Dodecadienoic acid 307272.5000 347431.8125 307961.7188 283849.7500 103939.3672 129321.5234 112950.7266 97250.1797 443668.8750 296181.7188 289263.2188 298823.6875 141641.5938 140608.0938 96731.8984 72909.1562 [FA (18:1)] 9Z-octadecenamide Oleamide 757258.2500 625976.3750 1098468 1753946.7500 2351037.2500 2512729 2364900.5000 4876867.5000 887386.1875 1552258.1250 1262270.6250 2092417.6250 2937293.5000 2058614.6250 3914759.2500 2323852.2500 [FA (18:3)] 9Z_12Z_15Z-octadecatrienoic acid alpha-Linolenic acid 344913.8750 476339.1875 185429.2813 439357.4375 373246.2813 477475.7188 527406.8125 284683.4063 433530.6250 477297.8438 552408.6875 425365.5000 547912.3750 429851.2813 433624.5313 425429.8750 FA (8:1) Octenoic acid 192117 202482 144563 134589 58810 102233 84086 71483 105924 141595 147369 149521 76121 144334 99462 77033 FA (8:1) octenal 214433 134280 184957 201839 439043 528805 524381 486281 287935 293818 213847 173932 540712 1248605 342542 527378 FA (9:1) nonynoic acid 127784 125797 107689 123510 81307 87235 72878 74203 157584 173861 165177 153015 89849 124824 83685 78508 FA (9:2) nonadienoic acid Nonadienoic acid 656212 716552 491738 641556 106383 92633 122200 101648 549377 688523 599992 729986 160886 115410 108436 77816 [FA amino(14:0)] 2-amino-tetradecanoic acid 2-Aminotetradecanoic acid 124598.8828 120215.2500 294565.0313 575359.5000 2097945.7500 1244470 1141173.3750 1308238 116521.0313 1630148.2500 273353.5938 780394.1250 1673115.3750 1441866.3750 1326409.7500 808905.4375 FAD FAD 2898977.2500 1343489.6250 3124533 2309948.7500 2953766 2303412.7500 2762188 2380083.2500 Fagomine Fagomine 261770 241756 288021 199163 410361 405260 504330 498115 432902 389519 300963 259196 457228 407359 415005 459280 [FA hydroxy(10:0)] N-(3S-hydroxydecanoyl)-L-serine 2929789.5000 2611129 2372567.7500 2280422.5000 3055955.5000 2382209.2500 2926153.2500 3152500.2500 FA methyl(18:2) 161722.1719 171285.9688 122947.7734 289059.2188 624814.6875 497294.4688 1247952.3750 176868.2813 188189.6094 277724.8750 191901.0781 201008.0781 669810.1875 502459.1875 407839.7500 754512.5625 FA methyl(18:3) 193070.0313 373253.5938 139012.4063 305290.1875 122674.7969 267981.9063 288454.3125 253381.7188 390816.2188 148513.5938 218481.8438 106373.2266 FA oxo(10:0) 173173 256420 207470 193173 89973 57362 77549 66092 173391 264846 161480 232734 43559 81852 58477 31254 FA oxo(12:1) Traumatin 347809.0313 410920.4375 336001.5938 385896.8750 121120.0391 87086.7969 148910.8281 70196.1250 346478.3438 333330.7813 413362.2500 384739.3438 94489.6875 167854.8750 75545.6797 76089.3125 FA oxo(18:0) 860930.5000 966765.4375 805956.5625 969303.3750 822948.5625 903422.2500 1392422.3750 610646.3750 876991.6875 926381.1875 1139254.3750 1001137.1880 1186996.8750 746905.1250 559210.5625 1005874.2500 [FA oxo(5:1/5:0/8:0)] (1S_2S)-3-oxo-2-(2^Z-pentenyl)-cyclopentaneoctanoic acid 277121.8438 373050.9688 182199.3125 268106.8750 245633.6563 188931.0469 152485.2969 225573.4063 298546.5625 288684.5625 263865.5313 211352.8594 118983.9844 141161.2344 153260.3594 FA oxo(8:0) oxo-octanoic acid 200538 164616 217812 183080 35411 68799 55292 28304 436206 219308 324570 329955 124697 30293 70435 17402 [FA oxo(8:1)] 5-oxo-7-octenoic acid 5-Oxo-7-octenoic acid 1513003 1280809 1294893 1192245 265741 399862 243221 209835 1262064 1301681 1142840 1384809 178937 253058 233705 214200 [FA oxo_amino(6:0)] 3-oxo-5S-amino-hexanoic acid (S)-5-Amino-3-oxohexanoate 131631 89546 118779 100939 283337 335869 325280 260730 141990 115427 117906 115053 301642 331459 270786 288737 FMN FMN 258650.0625 214632.7188 191926.5625 114245.4688 168998.1563 116901.7578 187070.8750 137915.5469 Folate Folic acid 255407.2656 448327.7500 322512.2813 336146.6875 680667.1250 770963.4375 694387.5000 661045.8750 422343 502254 235742.0625 385719.9063 746768.8125 722163.1250 748993.5000 703524.1875 fumigatol 3085294 2442695 2875680 3063221 49086 48654 58351 3358023 3135336 3150590 3517480 21311 14241 15318 18284 Furfural diethyl acetal 1489816 1829407 1322622 1645640 112511 245664 228413 146605 1546347 1616731 1891609 1848754 275336 285089 146641 197377 gamma-Glutamyl-beta-aminopropiononitrile gamma-Glutamyl-beta-aminopropiononitrile 1067226.3750 1197955.1250 1218030.8750 841982 4111120 5133452 4548957.5000 4815550 1681618.1250 1337351.7500 859864.2500 968592.3750 5096842.5000 4810936.5000 4449885 4540906 Gamma-Glutamylglutamine gamma-Glutamylglutamine 2861499.2500 3460196 2906651.2500 883989.5625 1182111.6250 1847318.1250 1261049.8750 1530822.7500 4987121 2640656 2334799.5000 2133589 1767590.7500 1610759.5000 1498893.2500 1716610.5000 Gammaglutamylornithine gamma-Glutamylornithine 304654.3125 250166.2188 383932.7500 155623.8125 346520.3750 300406 360426.8438 303072.2813 gamma-Glutamyl-Se-methylselenocysteine gamma-Glutamyl-Se-methylselenocysteine 137583.7969 155930.2656 88559.8672 173418.6563 112822.4844 148932.8750 190959.2031 206956.9375 gamma-L-Glutamyl-D-alanine gamma-L-Glutamyl-D-alanine 1989158.7500 1889824.7500 2143121 2276103 1452239.7500 2025168.6250 1342584.2500 1559410.3750 3134628.2500 2467789.2500 2405785.2500 2176531.2500 1995676.7500 1998503.8750 1622795.3750 1955471.8750 gamma-L-Glutamyl-L-cysteine gamma-Glutamylcysteine 9946790 3056490.2500 7404709.5000 3756069.5000 10744425 8563185 7291794.5000 8428277 gamma-L-Glutamyl-L-cysteinyl-beta-alanine Homoglutathione 675453.6250 232584.9688 862266.3750 720611.6250 868808.4375 681591.7500 1117277.3750 1053137.2500 gamma-Undecalactone gamma-Undecalactone 64567 68021 92368 243986 281251 297705 140780 107460 54348 374786 352550 186886 158918 GDP GDP 1544634.1250 1405671.8750 1682264.8750 1663360 1917745.2500 1812354.8750 2135060.5000 1677207.8750 GDP-3_6-dideoxy-D-galactose GDP-3,6-dideoxy-D-galactose 588418.6875 271655.7500 767393.1875 714348.1875 711555.3750 502060.1250 904333 931387 GDP-glucose GDP-glucose 1385014.2500 669023.3750 1055698.8750 927705 1240504.1250 1070226 1530675 988280.6875 GDP-L-fucose GDP-L-fucose 695522.9375 589056.3125 665162 597960 702244.8125 621515.2500 774777.9375 563405.1875 Gln-Pro Gln-Pro 164965 225349.0469 196501.7344 113803.9297 794820 946499.6875 846877.2500 894406.9375 317409.5938 311536.1875 154434.4219 148810.2344 878978.3750 987639.3750 907050.7500 760112.1250 Glu-Ala-Asp Glu-Ala-Asp 1530513.3750 1148519.7500 1705465.1250 1303838.2500 2038515.2500 1298295.6250 1954456.3750 1647101 Glu-Ala-Glu Glu-Ala-Glu 273927.1875 137386.5938 254176.8594 194827.4531 279052.9063 223113.5469 273158.6250 281469.5938 Glu-Ala-Ser Glu-Ala-Ser 720593.3125 297344.4688 931327.4375 344148.5313 358600.0625 211673.9844 473818 370030.2813 Glu-Arg Glu-Arg 2182298.7500 1522990 1841363.1250 539855.5000 1164277 1371533.6250 1479394 1308221.7500 3767752.7500 2319340 1482112.2500 1373518.1250 1605447.3750 1494800.3750 1512898.8750 1722093 Glu-Asn Glu-Asn 63477.6758 98378.9531 92098.8906 61386.2500 Glu-Asp-Cys Glu-Asp-Cys 3132027.5000 1601051.6250 2829983.5000 4688831.5000 3268591.2500 3609185.5000 4363957.5000 4892267.5000 Glu-Asp-Glu Glu-Asp-Glu 120910.9453 89312.1719 120449.0234 73574.3047 111243.8984 111244.7969 128881.2266 98341.8047 Glu-Glu Glu-Glu 8623551 6526582.5000 6251659.5000 3614767.7500 189930.2031 303472.2188 196712.8906 199503.2500 8818538 5843506.5000 7047180 5631936.5000 289381.2500 240239.6094 285770.7188 303668.1250 Glu-Glu-Glu Glu-Glu-Glu 163093.1563 95176.8359 190388.6719 101961.5078 168921.7656 153762.5000 184883.1875 152958.2344 Glu-Glu-Met-Ser 836719.4375 316101.7188 1041425.2500 365780.1875 956022.3750 495705.0313 770312.2500 418839.2813 Glu-Met-Ser Glu-Met-Ser 21224974 8831737 22683146 18312290 19891604 13994263 22541126 22483498 glutaraldehyde Glutaral 747079 900140 736338 622319 35030 26503 29184 43245 808216 807053 829036 1002003 39971 37390 37266 21426 Glutathione Glutathione 498309344 354503424 549699456 574766592 778857.3125 284895.3750 630888.9375 700419.7500 454218528 437950560 540680832 549193728 339190.1563 476474.3125 334287.8438 499126.9375 Glutathione disulfide Oxidized glutathione 21685286 10141005 22513676 18870676 65750.3203 27179.4316 29408760 26062334 18956786 20151206 Glycylproline Gly-Pro 245658 118431 267371 139522 233681 187396 252084 228573 GMP GMP 187336.6875 145200.4063 236909.3281 215276.6094 200910.0156 229241.6719 287590.4063 271136 GTP GTP 3452978 5310764 3808387.2500 3851028.7500 20536.7578 19662.1602 29283.6582 3715486 4742581.5000 3652487.2500 3504661.5000 23873.3438 Guanidinoacetate Guanidoacetic acid 584849 374715 501781 336228 339946 370961 333355 297377 643250 495974 470449 408401 337425 329721 330103 325425 Guanosine Guanosine 385709.9063 222474.9531 401016.3750 184130.5469 730194.5625 321389.7188 473983.8125 512771.6563 HEPES 694224.0625 2668343.5000 1130061.2500 1705944 2453419.2500 3416136.2500 4139835.7500 1104235.7500 867377.8125 3657911 1087323.2500 1677420.2500 10206567 3130531.5000 969529.5000 8265254.5000 Hercynine Hercynine 69195.1562 134901.1875 63595.7344 166267.8125 89054.4062 110418.1406 148228.4375 80640.4375 84681.3203 Herniarin 94847 80699 117833 90035 1734965 473247 1307484 604435 132633 108803 96866 101799 2665726 395848 1521289 372028 Heterodendrin Heterodendrin 1541973.6250 1180568.6250 1450543 1566038.6250 1314420.5000 1311070 1429877 1598472.3750 14445.7578 14397.5693 16276.2090 Hexylamine Hexylamine 3253797 4129592 4018358 3672525 23308 3443311 4924246 3477263 3680387 Homoarginine Homoarginine 705986 92963 685402 415646 550737 559146 532966 397087 Homostachydrine (S)-Homostachydrine 140515 127718 155084 101313 173450 150730 192506 182635 160282 123269 134325 102552 147745 180374 140603 157461 Hydroxybutyrylcarnitine CAR 4:0;OH 204878.9219 114034.9453 175325.1719 133680.4844 141160.3281 119773.4531 146810.6563 116000.1563 Hydroxypropionylcarnitine CAR 3:0;OH 1396416.7500 1119444.5000 1112579.6250 1296371.2500 382113.5000 352607.6875 342007.6250 354520.9688 1023142.6880 1476973.6250 995522.8750 1389706.6250 377389.8125 339047.5313 370697.1563 338408.6563 Hypoxanthine Hypoxanthine 118870 34770 35222 137208 147406 307992 107715 97708 71182 38252 39724 223830 211014 298720 158520 Ile-Ala Ile-Ala 1606441.2500 905502.8750 1647363.8750 959542.7500 85557.5625 143354.9844 145761.1875 65388.5156 1977933.8750 1366275.7500 1542193.3750 1852619.7500 93968.0547 56500.7812 75469.5703 105579.6641 Ile-Gly-Lys Ile-Gly-Lys 120071.7031 134446.2031 154746.0156 114103.2031 200404.7969 96629.1797 136769.7344 115019.0781 Ile-Lys Ile-Lys 1198699.3750 711879.6250 1743155.8750 916526 1684706.1250 1104059.3750 1437384.3750 1358913 Ile-Lys-Pro Ile-Lys-Pro 157328.2969 117666.4297 171247.3281 118795.6563 259361.6563 174176.8438 258079.2188 197910.1250 Ile-Lys-Thr-Trp 104073.1250 94794.6875 94155.9922 90638.4922 105082.5234 95584.5859 104376.2109 103348.4375 106465.2813 95448.5547 97935.7969 86302.7891 119418.8125 93665.1875 99580.4141 103298.1719 Indole-5_6-quinone Indole-5,6-quinone 111182 110519 106628 116178 116629 154279 110861 84914 117471 112417 117653 110067 111105 108062 105621 102917 Indolelactate Indolelactic acid 359323.5000 331883.0313 388657.8750 332410.9375 274222.4063 401184 263099.6875 286825.8438 413990.0625 347369.6250 371178.9688 260862.1563 271864.1250 253240.9531 314622.6250 331271.1563 Inosine Inosine 5714377 2381022.2500 1784553.1250 379868.4375 1782368.8750 735790.8750 1216198.2500 826619.9375 Iridodial Iridodial 467135 524718 485583 523596 93796 117952 110127 108738 440683 480972 502280 507987 131759 149444 96756 85583 L-1-Pyrroline-3-hydroxy-5-carboxylate 24600990 23507234 19625510 7007407 134816 148824 147770 131720 24158596 18210964 17499932 11372571 201405 150688 176565 132344 L-2-Amino-6-oxoheptanedioate 5133319 2371622 5111386 4721791 147343 28060 5670761 5236238 4735549 5217831 105048 31928 175075 L-3-Amino-isobutanoate beta-Aminoisobutyric acid 1025079 1036878 967736 903571 946983 1070773 988923 627601 1137973 1005141 1047870 1042033 1064200 943552 1169265 920149 L-4-Hydroxyglutamate semialdehyde 3548786 3041478 3343236 2859655 281851 269977 258113 220863 3040389 3007405 3082366 2714969 276310 229348 283031 254726 L-Alanine Alanine 22942988 16366460 23096836 20888352 37248008 39759432 36264476 38721760 27081206 23549546 21031142 24630902 40731944 38307036 37970164 38845404 L-Arginine Arginine 62259776 77739592 63417660 40782212 160498368 150315808 153788768 157872080 103687680 86831896 49849284 53702004 154197216 150323088 151393616 156254064 L-Asparagine Asparagine 14775496 16551429 15327599 12966226 38861204 39523032 39449776 37481116 20965748 18697200 13842554 15531930 35880308 35821760 36593748 38663424 L-beta-aspartyl-L-leucine 147834.4844 66162.5000 216639.1406 142017.8906 193754.5938 135096.4219 199449.6094 173300.9531 L-Carnitine Carnitine 11818961 8135674 16119948 12140695 2472245 2465700 1936105 2309451 14131388 11726319 14968822 14579005 2137273 2136650 2013227 2099165 L-Citrulline Citrulline 1188800 955925 1301912 1012581 3349849 3214538 3414943 3171877 1623406 1306833 1059523 1128446 3401711 3256329 3432806 2972563 L-Cysteine Cysteine 1881767 2061069 913888 189711 74645 48097 51506 42241 1705462 710405 935219 424131 33140 78568 46912 28424 L-cysteine sulfinate 164797 257278 185765 168499 215799 107418 127239 114775 L-Cystine Cystine 204346.6719 445587.0625 59782.1797 56120004 59736256 56487592 57736276 150288.7969 120943.1563 38401.7969 58681408 60033460 54625964 54932968 L-Djenkolic acid 1210081.3750 1084617.7500 1301253 1233591.7500 1141135 1103891.8750 1270240.6250 1264210.7500 L-Dopachrome Dopachrome 137226.4375 102188.7109 149703.3750 119635.6250 176144.1719 126106.1797 146060.7188 111636.5781 Leu-Pro Leu-Pro 292647.5000 222091.8438 265466.2188 263821.6250 64529.9492 69764.6016 72434.7422 32484.7305 419364.8125 281333.9688 384931.0313 296998.3438 42131.3125 78182.6875 83662.2344 65969.6016 L-Formylkynurenine N-Formyl-L-kynurenine 7504150.5000 4515633.5000 5807726 6277531 1198893.7500 1297914.8750 1477200.6250 1197921.6250 6377400.5000 5398421 4337336 4823419 1267451.7500 876312.7500 1088439.1250 1394578 L-gamma-glutamyl-L-isoleucine gamma-Glutamylisoleucine 425820.5625 280109.1563 440593.9375 434387.2188 53767.2422 45452.6562 69370.4219 44251.1172 664707.3125 406062.4063 408757.1250 385521.9063 71256.9766 65010.4531 44613.7812 65304.7539 L-gamma-glutamyl-L-leucine gamma-Glutamylleucine 307607.2188 445911.9063 375873.1875 282946.3125 165333.8281 167325.9375 118609.7578 136145.2656 446770.4375 461658.4375 315612.9063 287151.3125 155656.8125 134342.4844 128210.2500 163987.4688 L-Glutamate Glutamic acid 268916448 233935616 262200880 214844064 60515496 68198752 67775992 60679392 284350080 280404192 263762992 240216784 66747312 63095668 64963148 63414200 L-Glutamate 5-semialdehyde L-Glutamic-gamma-semialdehyde 62349236 42493188 62995848 47973284 183722688 199159936 177857520 179373632 61883732 70745376 49306520 56216808 197180016 187955472 180108480 181859392 L-Glutamate methylester 7417078 3672876 6817210 4617975 148260 138844 156323 163462 8255780 6326732 7659645 5529273 153686 166092 192678 189292 L-Glutamine Glutamine 140537504 170871232 146947696 140265088 728042624 752722816 705765952 719085824 174718848 179938048 127920400 163490176 749120064 755444096 735440832 695162368 L-Histidine Histidine 48043160 44108496 50262096 36898756 129479744 144354304 136432400 124494664 60449744 56648348 41903172 42963928 136259440 131822392 118072904 125381856 Linatine Linatine 272288.1563 310424.2500 277035.3438 345690.4063 265361.6875 370887.3125 172152.6094 208249.0781 L-Indospicine Indospicine 44918 75824 55781 73798 45169 91939 40794 69495 Linoleamide Linoleamide 542856.4375 559690.0625 414434.9063 799001.9375 1202019 1619904.2500 1685780 1363429.3750 520324 818012 706777.9375 686004.0625 1557540.6250 1152000.8750 1571629.8750 1128336.1250 L-isoleucyl-L-proline Ile-Pro 657620.4375 442303.1563 690605.5625 634105.5000 148724.5938 158898.4063 149071.5000 173268.8125 858485.1875 696055.8750 817604.1875 755463.8750 157971.9844 184439.9063 157046.8438 154855.6719 L-Kynurenine Kynurenine 5889304 5146729.5000 8090301 5849443 5743072.5000 6862890.5000 6816857 5657132 9170931 8617301 5938898 5997033 6778161 4591937 5657925 6365347.5000 L-lactide 102324 70050 85532 114049 7205 8662 13655 130067 81553 74318 106883 8397 7762 6686 10599 L-Leucine Leucine 82329304 80140912 92320216 69020368 148807472 164829232 151260432 150075088 137930448 104009112 84237072 76011008 170957728 144192480 151093824 151579280 L-Lysine Lysine 3647434 5921536 4126602 2312337 16594660 17779804 16421350 16496948 8404113 7299189 3237822 3565908 17496172 18950046 16712292 16204045 L-Methionine Methionine 47359096 46245104 53006480 37066304 90556872 104027896 87811576 88157952 76057024 57897024 53354280 46771720 95135560 94791520 92323976 91666328 L-Methionine S-oxide Methionine sulfoxide 535458 364505 517234 373619 4345269 4431155 3796894 4850856 665517 626230 515586 532188 4107676 3811509 3801215 3643164 L-Ornithine Ornithine 1345515 1985521 1522658 902431 3306911 3619097 3282076 3018666 2561161 2139932 1084922 1297016 3381933 3435764 2900252 3437948 L-Phenylalanine Phenylalanine 42307648 38123140 45431844 31255858 73283912 87938040 69502232 72831264 60848828 52075876 40981652 42619304 79495360 76507248 74362096 88856104 L-Proline Proline 387672640 251334112 425238848 258622736 241051264 240625472 279940864 243319104 370646496 296611136 387508672 298100096 244203488 245476592 249611456 219745920 L-Pyrrolysine 101850.2422 99795.0625 87081.4922 94444.5469 212926.2500 276726.4375 237374.7656 217650.4063 144902.0156 109588.8281 88294.4219 96141.8359 277952.5625 205597.2656 249429.2188 209044.5781 L-Serine Serine 2295552 3080869 2182549 2041402 9500574 11499158 8508380 9253650 3487818 3659292 1712048 2149550 10119775 10535341 8384217 9931448 L-Threonine Threonine 9880394 10655292 9676148 8254854 21969746 25819108 22114494 23108156 12094241 10865790 7211727 7925769 26744508 23875022 22705312 24830136 L-Tryptophan Tryptophan 6298447 6409711.5000 6598966 4836120 8070226 11497365 7348767 7678581.5000 11113393 8554169 7108907.5000 6561216.5000 9990355 9133501 9918568 9750422 L-Tyrosine Tyrosine 17216780 15037364 19062592 10979304 78621352 83715080 77810520 74527864 29723354 23112288 17664136 17681556 89454576 85795440 74927944 79830608 L-Valine Valine 22049162 22690594 23180270 18182026 41008492 41002296 38604224 42856400 38090168 32293292 22919078 21557932 45066228 41463400 38033416 43442464 Lys-Asn Lys-Asn 1272593.2500 937281.5625 1254577.3750 1215179.3750 1471107.1250 1214070.3750 995825.8125 1062845 [LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine LPC 14:0 2308706.2500 982992.7500 2168410.7500 2257555.2500 2192456.2500 1903474.2500 2477730.7500 2543221.2500 LysoPC(16:0) LPC 16:0 8038951.5000 3141823.7500 6958147 10550660 68993.3984 118265.6797 83514.8359 57841.0586 7779330.5000 7862030 10174944 15275779 116204.1797 73149.8281 94566.9922 94734.0078 LysoPC(16:1(9Z)) LPC 16:1(9Z) 4836133.5000 2899546.7500 4482797.5000 5329677 4521498.5000 4125928.5000 5712184 6779379.5000 [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine LPC O-16:0 2464100 893764.1875 3799108.7500 3483727.5000 2410623.2500 2403485.5000 3172210 7128643 LysoPC(18:0) LPC 18:0 455956.5313 273403.2813 271372.6563 420561.8125 56315.1055 65414.0039 50123.5938 341864.5938 331965.8125 471811.6875 963266.5000 93725.8594 54254.3438 71911.7734 70484.4219 LysoPC(18:1) LPC 18:1 3126249 1608846.1250 2073554.6250 2711509.5000 40500.1445 2195764.2500 1966279.1250 3301900 6188381.5000 41587.2148 35869.1641 38037.9336 LysoPC(18:1(9Z)) LPC 18:1(9Z) 1315746.7500 583275 1037298.6880 1344806.5000 1128323.3750 869944.1875 1167942.1250 2949106 LysoPE(16:0) LPE 16:0 314250.7188 316796.5313 297742.1563 489772.1250 218668.7656 277132.3125 356461.8750 675543.9375 Lys-Val Lys-Val 3693826.2500 2665683.7500 4224722 2861650.5000 39137.2578 43116.0430 35744.5859 36138.5430 5420842.5000 3396248.5000 4821854.5000 4047876.2500 43929.2227 40045.3242 35106.9102 43767.5977 Mesitylene 513019 448864 730501 425341 110504 64895 62251 40527 434074 400417 392470 395672 62061 82082 82232 52106 meso-2_6-Diaminoheptanedioate 1035212 78141 882448 1041282 75527 59314 116914 64004 711001 725404 1563189 1335730 120693 76654 120148 129719 Met-Cys-Cys Met-Cys-Cys 292269.7813 223865.2500 324640.5625 446549.5938 313367.1250 269761.5313 238636.8438 236733.8750 Methacholine Methacholine 626479 465786 769423 549969 85075 102967 87751 100295 715585 527841 731298 628744 75230 117426 92208 96706 Methomyl Methomyl 683171 966785 415625 54219 38399 46097 46295 816258 404153 321116 188901 50475 44872 27538 36315 Methyl5-(but-3-en-1-yl)amino-1_3_4-oxadiazole-2-carboxylate 650941.0625 333372.5313 659573.8125 517013.8438 38412.5039 35498.2930 29275.3320 29910.0781 973138.3750 827517.9375 1095439.8750 954296.1250 52079.6758 43073.0859 31853.4082 43141.9609 Methylenediurea Methylenediurea 293272 157794 237348 170029 56613 54520 120461 264534 257432 260671 213370 94252 54935 90945 63268 Methylimidazoleacetic acid Methylimidazoleacetic acid 213244 128313 209606 144293 204597 167527 161279 173003 236632 224633 210911 149544 186864 216007 168222 172504 methyl pyruvate Methyl pyruvate 526007 407913 509344 602286 606343 654515 572281 505545 Methylripariochromene A Methylripariochromene A 501963.8438 399892.2813 316174.5313 359124.0938 430698.1563 370793.3750 383856.5313 490192.5313 86409.5391 Met-Phe-Gly Met-Phe-Gly 125894.7500 71657.9141 106806.8203 37746.5078 106724.0391 282761.3438 141056.5000 183474.5000 204692.9063 144068.2344 99131.3438 50998.4766 232874.7969 191422.3750 191669.0469 226044.6719 MG(0:0/16:0/0:0) MG 0:0/16:0/0:0 183679.0469 120068.4375 191339.2031 3399011.7500 3646305.5000 2089399.5000 928875.3125 235062.1875 138954.5156 2751109.5000 6993390.5000 969466.3750 1754518.1250 Miserotoxin 1634376.6250 1200078.8750 1738582.3750 1523526.8750 1973022.3750 1525461 1888186.6250 1697475 Muramic acid Muramic acid 2378645.5000 2081386.8750 2220078.2500 2018397.3750 57378.2070 2523476.2500 2007923 1838174.7500 1982787.5000 83047.3984 N2-Acetyl-L-aminoadipate N-Acetyl-2-aminoadipic acid 1469635.8750 743258 1735055.2500 953579.7500 143439.3125 141398.0313 137032.3750 155777.3438 1552296.3750 1248708.1250 1555468.5000 1332577 136720.4219 175890.1719 139005.7031 135129.0156 N2-(D-1-Carboxyethyl)-L-arginine D-Octopine 627419.8125 256081.5313 773928.6250 445591.0313 402329.5313 375902.1250 524172.0625 390001.4688 528841.2500 450441.5313 772456.5000 691387.8750 498509.8125 437887.0313 439542.3125 457614.5938 N2-N2-Dimethylguanosine N2,N2-Dimethylguanosine 310161.9063 243953.6563 344904.1250 203946.1875 224366.4219 185327.5469 255956.9531 201400.2969 458119.0313 297560.4063 371286 339677.2500 254649.4531 248663.6250 327708.2813 251933.6719 N-(3-hydroxybutanoyl)-L-homoserine 1189780.7500 943809.0625 1061501.3750 1223232.6250 916392.3125 1129702.7500 1015623.1880 1320037.1250 N4-Acetylaminobutanal N4-Acetylaminobutanal 1998844 919360 1082810 963959 38358 39537 28462 32480 2121860 909289 1464639 1307719 33005 105589 47173 32191 N4-Acetylcytidine N4-Acetylcytidine 216524.1250 158835.7500 297291.9688 186161.6250 104138.4453 86980.6016 82145.2891 85472.5234 330417.5625 222830.7031 269306.1250 255187 99913.5781 87997.5703 106554.4141 86462.7891 N6-(1_2-Dicarboxyethyl)-AMP Adenylsuccinic acid 113787.1016 133872.4219 156020.9375 111745.3281 102077.1875 101351.0625 130403.3984 90851.4453 N6-Acetyl-L-lysine N6-Acetyllysine 261564 169802 293282 172045 301872 256343 319768 278943 323117 235163 242937 254401 322902 278591 290446 331401 N6-Acetyl-N6-hydroxy-L-lysine N(6)-Acetyl-N(6)-hydroxy-lysine 248369.5156 281407.6563 307577.2500 214547.2188 472623.3750 568574.1250 225425.0625 301111.1250 N6-Methyl-L-lysine N(6)-Methyllysine 1689333 1322726 1877496 1294785 119238 117116 95921 105962 1932672 1386033 1865238 1938673 97113 132572 101828 106783 N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 1606172 1344657 1921867 1196515 724577 755497 790561 735681 2325895 1690046 1804962 1538141 837778 737260 744891 738811 N-Acetyl-a-neuraminicacid N-Acetylneuraminic acid 171079.3438 220470.6719 211459.0625 203917.9063 64309.5664 210190.8906 255795.8438 193784.9063 184773.5469 N-Acetyl-aspartyl-glutamate N-Acetyl-Asp-Glu 25732548 23358410 24977086 21538458 81195.2812 92885.9219 98402.9219 73684.2422 22227950 23701000 23220912 19189418 98630.5391 89799.5938 92215.7969 93878.2500 N-Acetyl-beta-alanine N-Acetyl-beta-alanine 4861516 2516337 3723172 2970531 278167 222763 371419 223254 3762997 3026979 4382759 3667328 288891 257128 347972 243233 N-acetyl-demethylphophinothricin 155323.2969 161654.5000 132797.0313 129727.6484 275994.2813 181785.9844 231893.6719 226407.7188 168410.1563 126101.5781 165520.1406 173033.3125 147822.7500 242851.5313 169068.9063 193340.1563 N-Acetyl-D-fucosamine N-Acetyl-D-fucosamine 9563152 3893843.7500 8677510 5884844 95340.9297 106162.7500 86629.9141 80585.3750 8724570 6089815 9099765 8372718.5000 123866.6953 148448.3594 148042.2188 87106.5547 N-Acetyl-D-glucosaminate N-acetyl-glucosaminic acid 286579.9375 742878.7500 326159.5938 284479.5000 378349.7188 517336.0938 231014.7188 361641.7188 N-Acetyl-D-glucosamine N-Acetylglucosamine 919908.3125 548720.2500 1078255.3750 593707.8750 132630.0781 124630.1406 124222.0156 91017.7109 925375.0625 784782.7500 1010792.8750 829841.2500 119851.9219 112063.2266 130720.7422 95092.5156 N-Acetyl-D-quinovosamine 2376313 1983866.7500 2099273.5000 2589761.5000 20960.8555 2293293.2500 1990224.5000 2390845.7500 2799983.7500 24362.5156 26005.3867 23342.5312 N-Acetyllactosamine N-Acetyllactosamine 287599.1250 211536.7813 390779.1563 283924.6250 434087.9063 245925.7031 326415.0625 330509.5938 40692.9922 N-Acetyl-L-citrulline N-Acetylcitrulline 1256787.8750 1387013.3750 1860410.2500 1667185.5000 374051840 360039104 368811840 375558208 3154554.5000 2822542.5000 942024.1875 1122573.8750 327520256 378043456 314560896 262044896 N-Acetyl-L-glutamate 5-semialdehyde N-Acetyl-glutamate 5-semialdehyde 7711532 3508278 10995702 8312901 16995 19028 4995068 6402433 6405595 7552978 23648 16255 N-Acetyl-L-histidine N-Acetylhistidine 898688.6875 878883.3750 773875.6875 502042.1563 2527665.7500 2837493 2691260.5000 2239110.5000 1293337.1250 962774.3125 739842.6250 646226.4375 2839249.5000 2433467.7500 2286541.7500 2171306.5000 N-Acetylmethionine N-Acetylmethionine 354582.7500 349739.9375 328157.1875 116217.0313 21408.3301 364643.0625 293020.4063 242126.5313 221132.4219 27524.3984 20496.7637 N-Acetylmuramate N-Acetylmuramic acid 349159.6563 640798.5625 401236.5625 487766.7813 400833.7500 593494.4375 380785.4063 404253.5313 N-Acetylneuraminate N-Acetylneuraminic acid 217547.3125 287496.2188 280412.8438 217084.8281 260869.3750 212360.9375 256896.8125 260871.8438 N-Acetylornithine N-Acetylornithine 201071 177318 181303 116661 1307530 1571335 1329188 1378799 224179 221567 172096 160393 1318975 1426891 1327849 1349090 N-Acetylvanilalanine N-Acetylvanilalanine 258010.7969 162292.5938 298316.9375 255634.2188 225151.2188 205851.5625 267757.6875 235842.1875 NADH NADH 18602460 4625181.5000 18164450 10126211 15752407 9948865 18281804 14356594 NADP+ NADP 4524151.5000 10908910 4691848.5000 5179270 5735885 4965024 5372455 4486296.5000 NADPH NADPH 8931266 493124.8125 10587961 10011028 12453188 8668181 10930705 11026609 N-Amidino-L-glutamate alpha-Guanidinoglutaric acid 173929 200527 171954 165372 323013 402922 350412 331573 246588 209420 158936 229123 351414 420574 323179 329785 N-Carbamoyl-L-aspartate Carbamoylaspartate 903021 816129 688162 696244 459945 455771 508459 448106 N-Carbamyl-L-glutamate Carglumic acid 704212 393810 720937 763972 811165 881592 688717 779300 N-Carboxyethyl-g-aminobutyricacid N-Carboxyethyl-gamma-aminobutyric acid 326596 290014 264448 88649 71105 46612 57171 34972 283782 181287 195475 173147 77363 40329 34053 55437 N-Decanoylglycine N-Decanoylglycine 500627.4063 588614.9375 1691245.5000 580508.3750 314003.7500 351064.5625 1170262.1250 291190.8438 1022969.7500 913878.9375 615073.3750 978496.2500 724325.1250 634650 249403.2969 386461.9688 N-dimethylethanolamine 38380 14954 40358 179797 N-eicosanoyl-ethanolamine Eicosanoyl-EA 72081.0859 80682.0781 135127.0156 146975.6719 35982.5742 1234095.2500 507519.3125 87369.3594 29021.5234 505174.6250 70757.9531 Ne_Ne dimethyllysine N(6),N(6)-Dimethyl-lysine 212753 214907 265569 172366 236565 268852 247457 249280 345365 256890 245361 223461 227089 283248 281767 244507 Neuraminic acid Neuraminic acid 142977.1719 229305.5938 120928.3906 165112.5781 167708.9844 184078.6875 153377.8281 161182.8281 N-Formiminoglycine N-Formimidoylglycine 139782 112472 160245 117473 36856 59193 38981 33108 139069 119233 101135 122379 39239 50256 59006 38300 N-Formimino-L-glutamate Formiminoglutamic acid 711281 403255 694323 417081 42244 34919 58556 25129 689602 494784 652434 550106 35003 Ngamma-Monomethyl-L-arginine Targinine 37744 34958 30904 18099 112863 125283 135565 137362 50038 46399 26439 36075 124834 156686 129013 121899 N-Glycolyl-D-glucosamine N-Glycolyl-D-glucosamine 865714.3125 501802.2188 717225.1875 636555 811529.6250 751194.3750 832274.8125 724345.0625 23683.2188 N-Glycosyl-L-asparagine N-Glycosyl-asparagine 2581464 2193744.2500 2534216 2097552.5000 995215.0625 1671151 893183.8750 1145264.1250 2635300.7500 2425561.2500 2417758.5000 2049638.7500 1264336.5000 1288629.3750 834550.3750 1201682.2500 NG_NG-Dimethyl-L-arginine Dimethylarginine 1299439.3750 1148225.7500 1595034.2500 896728.3750 1729574.6250 1922274.8750 2043409.8750 1910619.3750 2093266.1250 1547258 1372600.3750 1286331.2500 2125539.7500 2087810.6250 2164775.7500 1999482.6250 N-Heptanoylglycine N-Heptanoylglycine 1135279 1602645 1275895 1321523 210244 225229 264906 208021 1567799 1051772 1157724 1146948 291934 303569 247098 240369 N-hydroxyisoleucine N-hydroxyisoleucine 81201 51483 94257 80443 137355 144633 142990 128645 133013 97051 85732 89257 162749 124588 116339 129206 Nicotinamide Niacinamide 33599280 38626808 34662692 25848648 56016724 57216992 49588564 51553784 38613640 37173096 29690144 38028244 51307888 51587952 49718892 52360728 nicotinamide riboside Nicotinamide riboside 315191.2500 108719.6953 541032.6250 364789.9063 9784.8115 8838.9961 346261.3125 275067.4688 486385.9063 489328.2188 12408.7568 9956.5176 8052.8193 10590.1963 N-Methylethanolamine phosphate N-Methylethanolamine phosphate 1291984 1276447 1777467 1136084 1602077 1486770 1550907 1385885 78529 N-Methylhydantoin N-Methylhydantoin 232751 148258 192303 148290 262770 190739 233799 207491 N_N-dihydroxyisoleucine 629735 411039 335919 464838 621843 351678 382563 316032 N_N-dihydroxyvaline 275298 121055 182154 162437 27400 121326 75215 31549 377679 181006 143815 141956 113997 61618 32895 176798 N_N-Dimethylaniline N,N-Dimethylaniline 166294 141974 173907 141100 106466 52405 74931 54323 173808 133795 177211 172904 34604 97289 42268 43168 N_N-Dimethylglycine Dimethylglycine 562090 199534 335944 432052 1082355 1200585 966783 1001744 223854 224120 332457 298258 1120735 948607 1113798 1126140 Nonanoyl-CoA Nonanoyl-CoA 6489067 6948956.5000 5600162.5000 4587786 6826953 3814276.2500 2856135.2500 1731316.5000 Norepinephrinesulfate Norepinephrine sulfate 8239916 5891908.5000 6815013 2070017.7500 7913687.5000 6241502 5707400 2892391 Novobiocic acid Novobiocic acid 429591.7500 229051.6719 620420.2500 349296.5000 497580.5000 317050.8750 502064.4688 531813.8750 N(pi)-Methyl-L-histidine 3-Methylhistidine 2155979 1837717 2225102 1541713 6353953 6030974 5696256 5715417 3134160 2487107 2254086 1815478 5511547 5718320 5795337 5475574 N-succinyl-L-citrulline N(2)-Succinyl-citrulline 2143300.5000 2208820.7500 1979435.8750 2045082.2500 3140380.7500 4068041.2500 1043166.8130 1215249.8750 N-Succinyl-LL-2_6-diaminoheptanedioate N-Succinyl-L,L-2,6-diaminopimelate 2156253 1500616.5000 2183110 396774.8125 2891680 1355823 1081813.2500 403663.6250 N-Succinyl-L-L-2-6-diaminopimelate 128399.0234 186939.3750 136329.5000 120013.3984 31923.2695 28554.8848 155961.7969 179487.8125 120414.6250 166879.4063 N-Undecanoylglycine N-Undecanoylglycine 1537823.7500 1882807.1250 3055357.7500 1722349.5000 798229.5000 726667.6875 1506874.7500 620945.1875 1963614.3750 2615869.2500 2114181.2500 4699484 1465805.5000 1035559.4380 717217.8125 905747.1250 O-Acetylcarnitine CAR 2:0 15025825 8156813.5000 14571178 8572157 890106.4375 989711.1875 1006715.5000 912551.1875 14334209 10028485 18503756 12317380 985101.6250 959395.1250 916654.5000 963544.6875 O-Acetyl-L-homoserine O-Acetyl-homoserine 448982752 411242144 361025408 120368032 112711 157453 164446 162659 434204512 341210944 310737856 208323072 179921 197675 132377 185851 O-Acetyl-L-serine O-Acetylserine 10955987 6763250 12057736 8607335 264044 261111 401180 264524 10522552 8903651 12287101 10049713 359938 303329 333810 328181 O-Acetylneuraminic acid 614219.6250 444797 678037.5625 457827.4688 892501.9375 1081953.2500 641360 653812.8125 O-beta-D-Glucosylzeatin 282797.4063 320983.5938 256620.1406 309323.5625 220596.1719 297790.1250 178639.3594 169502.0313 O-Butanoylcarnitine CAR 4:0 4016745.7500 2646691 3763856.7500 2985931 414413.9375 375092.3438 389565.9063 316216.6563 3242419.7500 2663627.7500 3675271 2865649.2500 416970.8438 381181.4688 347486.2500 294806.4688 Octadecanamide Stearamide 462927.7813 433472.9375 349178 622243.9375 1288142.2500 1006293.0630 1507699.8750 702475 435473.5938 831421.6875 568464.8125 785267.8750 1282598.2500 627506.1250 1057470.6250 937307.2500 Octylamine Octylamine 909271 863582 1180544 2899108 290782 280902 427137 247282 792655 1428575 1247931 1534481 381487 309759 304364 264957 O-Propanoylcarnitine CAR 3:0 4675400.5000 2702923 5772468 3425675.7500 486182.5313 502248.2500 527915.1875 550912.7500 5774421 5027160 6493753.5000 5891587 498837.6875 555444.8750 499176.6250 571442.5000 Orthophosphate Phosphoric acid 1174714 348415 1587469 1113165 2080794 1152775 1707805 1331842 Palmiticamide Palmitamide 317258.8125 255441.9688 291778 523668.8438 668254.1875 644818.5625 827193.1875 970474 403730.1250 573701.5625 433531.0313 453983.7813 818512.1875 495694.0313 688877.1250 727098 p-aminobenzoate-β-D-glucopyranosyl ester 58384.8281 162787.8750 57403.8867 42332.0430 361562.2500 434711.2500 351327.5938 358454.3750 154368.3438 174717.7188 43468.3047 431689.5313 398130.9375 424688.5000 388603.8125 p-aminobenzoyl glutamate 4-Aminobenzoylglutamic acid 144451.4219 205736.6563 148711.2813 160679.1250 200083.8281 152344.2969 169491.6094 165029.2188 Pantothenate Pantothenic acid 57478944 38215556 52890584 32806882 7449044 8865369 7646711.5000 7448780.5000 54484172 39440420 49553588 42352180 8339725 8052134 7230939.5000 7524457 Pantothenol Pantothenol 191124.1250 216826.8438 232894.5313 226254.2500 33843.3438 25963.1367 44553.9414 23132.8301 185058.2500 232827.5938 202418.5000 170357.5781 28167.9199 43689.5820 26373.8828 40097.9492 PC(15:0) PC 15:0 331020.2500 143294.3750 335596.9063 423650.9688 369572.4063 343278.1563 446130.2813 587570.9375 [PC(16:0)] 1-hexadecanoyl-sn-glycero-3-phosphocholine LPC 16:0 3222014 1513938.5000 3238237.2500 3812414 4136875.7500 2794075 4027628.5000 7854843 [PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine LPC P-16:0 or LPC O-16:1 641326.5000 247975.2500 558631.3125 788677.6250 571838.3125 493480.0938 823014.9375 1304359.7500 [PC(16:1)] 1-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine 1953531.3750 1486786 1308153 2152073.2500 2613208.7500 1822576.7500 2156900.2500 2943892.7500 PC(32:1) PC 32:1 2123525.5000 32716914 1785453.1250 945799.9375 125608.3516 314160.3125 227890.3906 126516.1406 3771900 1600484 2006172.1250 3919234.2500 252955.7500 129185.3984 193856.7188 347842.4375 PC(34:1) PC 34:1 1997502.8750 31146694 2020880.2500 937478.9375 1032656 1636149 1191195.5000 1077874.6250 4162094 1880271.7500 1661189 3073291.5000 1515961.3750 1093195.7500 1370722.2500 1498321 PC(34:2) PC 34:2 1551445.5000 29330868 1286149.6250 552563.2500 145570.3594 315853.3125 234868.1250 272461.1563 3006117.2500 1282499.2500 1288130.6250 2399568.7500 339178.1250 135260.6094 233155.7656 269411.8125 PC(36:2) PC 36:2 1067180.1250 18177822 1290094 628454.7500 372154.1250 562855.3750 356937.9688 349358.5313 2569720.2500 1014984.5000 883951.3750 1540311.7500 519759.1875 337017.0313 478062.5938 616317.0625 PC(38:4) PC 38:4 98657.4766 2951748.7500 210042.2969 820055.5000 501952.3125 774177.8125 716279 435250.7813 135862.9844 165204.7344 988995.8125 671448.5625 945740.3750 1023697.8130 [PC acety] 1-acetyl-sn-glycero-3-phosphocholine 574907.7500 461797.8438 661732.1875 739150.7500 670790.0625 499507.7188 631172.8750 510936.9063 [PC acetyl(3:0)] 1-propionyl-2-acetyl-sn-glycero-3-phosphocholine 310954.8438 301218.0313 257280.4531 363667.8125 325291.0313 307249.5000 327618.7500 299506.8125 [PC diacetyl(2:0)] 2_3-diacetyl-sn-glycero-1-phosphocholine 282528.7500 212071.5625 280895.3125 238048.5469 334584.5938 267819.9375 226204.1250 296812.2188 P-DPD 362488.4688 143994.0781 414615.0313 225784.9375 235948.9219 179274.1406 329717.5625 272609.0313 PE(P-36:4) PE P-36:4 424161.8750 2782784.7500 554331 217039.5156 870365.5625 444743.1563 261779.1094 416324.0313 Phe-Gly Phe-Gly 122946.1641 188182.1250 151778.7031 225183.7813 157340.0938 208488.3750 134649.8906 225304.2188 Phenolsulfonphthalein Phenolsulfonphthalein 4872738.5000 3414711 2895627 2064358.8750 19071744 27162092 25647462 20278062 6478913.5000 3843577.7500 2330315.2500 2063486.8750 22477692 22852100 22032426 19175158 Phenylacetaldehyde Phenylacetaldehyde 69808 50439 66290 90141 62353 107907 82232 61874 Phenylethylmalonamide Phenylethylmalonamide 144375.2969 183747.1563 191404.1563 266865.9688 191728.2969 267849.7188 158318.0781 158771.1719 Phosphocreatine Phosphocreatine 4270750 4337955.5000 4782475 3941950.7500 5407262.5000 5146704.5000 4997655 4765823 Phosphodimethylethanolamine N,N-Dimethylethanolamine phosphate 43911272 10213553 40024296 37924868 33068 38508 63594 55466 32377158 26587660 50367720 42321688 33424 56364 72396 Phosphonoacetaldehyde Phosphonoacetaldehyde 3446131 1095243 4165132 3158520 5634680 3692428 4979952 5116380 Phthalate Phthalic acid 77063 73717 93992 217154 218945 238478 226404 43087 30366 121467 103657 234724 209848 240802 202990 [PI(36:0) PI 36:0 169129.2031 1221631.5000 435457.6250 201600.0625 496203.8125 334130.1563 147425.0625 263460.0313 Picolinamide Picolinamide 8738578 2884113 9643226 8224033 297330 180915 303611 345661 8799351 7700504 11372551 9187124 166434 235973 218454 286539 PIPES 12106685 13434227 11531819 14005400 5127527 6020060.5000 5269933.5000 5007811 10837430 12832589 9562025 7801181.5000 5976862 4821033.5000 6054754.5000 5931639.5000 [PR] 2E-geraniol 70376 82070 81345 61741 118561 120058 62700 41755 Precocene 2 Precocene II 385273.5938 389640.1875 323820.2188 506794.1250 74551.2266 61253.9648 90969.3516 75323.5000 386827.9063 411469.6563 370799.4688 522802.7500 52536.2422 100134.7734 65261.4766 71303.3125 Pro-Arg-His Pro-Arg-His 372726.3438 410146.2188 385721.3750 331307.5625 183858.4688 183511.8125 181105.7656 197748.7344 402985.0625 320001.4688 338604 260044.2188 166044.9688 193159.9688 179062.6406 201331.2344 Proclavaminic acid Proclavaminic acid 330064 217433.2188 478404.6563 271798.7188 368702.8750 256351.7188 295614.8438 323721.6250 PS(34:1) PS 34:1 421631.4688 3853032 895834.4375 509723.5625 1191281 710585.2500 292075.9063 746572.0625 PS(36:1) PS 36:1 537154.1875 3921897 1329110.3750 547353.6875 1497559 860923.5625 326833.6875 610417.6250 PS(36:2) PS 36:2 238098.0781 2258878 583065.3125 279319.4063 769831.2500 405777.7500 172717.6094 351649.5313 Psicofuranin Angustmycin C 551297.1250 402766.0313 691740.7500 400849.2500 453611.3125 551713.4375 546656.9375 472493.1563 851072.3125 530861 590176.3125 499702.2188 723753.6875 459851.4063 649130.1875 660919.8125 psicoselysine Psicosyllysine 192633.1250 272514.6563 202708.6563 227765.3594 218511.1719 256540.6875 191750.4531 237713.4063 Pyridoxal Pyridoxal 307360 141900 454334 452443 167444 125031 182937 153092 542287 418485 460887 530388 187349 181228 169668 149860 Pyridoxine Pyridoxine 11671429 6564996 13066790 8178744 31911696 33613076 31165276 31240582 19854472 15080680 9772475 12419445 31054890 34290088 29804620 27276762 Riboflavin Riboflavin 742503.2500 247307.8750 817295.9375 580018.7500 676573 1097954.2500 754598.3125 718971.1875 1073756.3750 924283.8750 646271.5625 566926.0625 1001315.7500 691983 905554.6875 864433.5625 Riboflavin cyclic-4^_5^-phosphate 350265.7813 185817.5781 408844.6875 308046.3750 373029.2500 310025 440509.9688 305973.5313 Ricinine Ricinine 43919 66675 41253 90768 148209 23625 111182 29654 62820 30896 35517 43375 121221 62635 57868 (R)-piperazine-2-carboxylate (R)-Piperazine-2-carboxylic acid 560447 611658 688485 681176 591152 965354 508072 820082 (R)-piperidine-3-carboxylate 146297 98893 214459 103669 216242 200819 183150 167437 227022 98317 157431 127210 209292 178162 200342 172584 (R)-S-Lactoylglutathione S-Lactoylglutathione 4940085.5000 1672394.5000 5976001 4515855 4221106.5000 3441634.7500 6084623.5000 5838013.5000 (S)-1-Pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 866046 616527 1129144 935104 558041 535398 566019 477407 1172852 1426442 1043793 1124048 446082 399569 412802 550700 S-(2-Methylbutanoyl)-dihydrolipoamide 1476474 1088735.8750 1334650.2500 1159682.7500 1280052.1250 1496568.7500 1218741.1250 1505296.2500 S-(3-Methylbutanoyl)-dihydrolipoamide 1036744 1080978.3750 1034203.4380 1072547 1025028.2500 958694.4375 952254.6875 1000487.1250 S-Adenosyl-L-methionine S-Adenosylmethionine 12983801 7159140.5000 14283160 9046443 158922.3750 108221.5234 132394.5000 134173.6875 11945865 9581169 14591753 12437838 119276.1484 146573.5313 141803.2656 115756.2266 (S)-ATPA (S)-ATPA 145008.6719 677430.3125 587431.5000 674496.3750 691695.8750 206016.2031 181673.7656 725828.1875 792660 632131.8125 671940.7500 S-(Formylmethyl)glutathione S-(Formylmethyl)glutathione 3298753.5000 666897.5625 4815281.5000 8194992 3112575 2519084.7500 6299336 6706833 Sinalbin Sinalbin 2517787.7500 1386618.3750 2733851.7500 1870253.3750 2478426.5000 2179412 2867360.5000 2296709.7500 Sinapyl alcohol Sinapyl alcohol 625013.5000 537253.3750 485262.3125 460333.1875 412508.7813 451005.9063 552843.0625 656647.5000 32961.0586 Slaframine Slaframine 1528507.3750 894599.0625 1625896.3750 1256688 116830.1875 87127.7109 120666.8281 122614.3672 2036755.6250 1255503 2039344.1250 1496161.1250 141549.7813 109329.3281 100995.7500 114745.3672 SM(d18:1/24:1(15Z)) SM 18:1;O2/24:1(15Z) 629031.3750 5002945 1156724.2500 370658.4375 294448.5000 373384.1250 268155.6563 240727.3594 1917297.8750 915657.3750 535613.8125 1023998.4380 404374.6875 203052.2188 303450.2188 348209.3125 SM(d32:1) SM 32:1;O2 739723.9375 3430002 605322.5625 891530.0625 52447.3594 101625.7578 65567.8281 88217.6016 1022277.2500 622288.1250 1346398.2500 2865401 143384.6094 59950.1562 134586.4688 127195.4453 SM(d34:1) SM 34:1;O2 4758357 25376256 3996479.5000 4006830.2500 963066.1250 1279384.8750 944628.1250 877354.6875 6883127 4032970 6020384 15435402 1135000.3750 939740.9375 1067608 1161211.1250 sn-glycero-3-Phosphocholine sn-Glycero-3-phosphocholine 1094761600 320361632 1203688960 968789056 10183572 11646077 10478946 10428300 1548460800 1054716672 1456496256 1396210560 11897658 10651429 11599505 10540361 sn-glycero-3-Phosphoethanolamine sn-Glycero-3-phosphoethanolamine 14492358 11903741 16644879 13358562 106159.4141 92742.5938 103526.5156 103132.0391 22089290 15006096 20015238 17166006 114309.4531 115855.3906 98599.8203 94266.4297 [SP (14:0)] 1-deoxy-tetradecasphinganine Xestoaminol C 201029.4688 187602.7188 288327.3438 181307.3125 770565.1875 919639.5000 688672.3125 829734.2500 263365 179422.1563 224075.9375 223831.7344 808915.3125 776683.8750 921663.6250 875802 SP (4:0) 93960.1172 132260.2344 74381.2422 307332.9063 228750.6719 190252.5625 319051.9688 356068.4063 126754.8984 214312.9844 295814.5313 270983.7500 259704.5156 347841.7188 246015.6406 189287.0938 [SP dimethyl_amino(18:0/2:0)] 2S-dimethylaminooctadecane-1_3R-diol N,N-Dimethyl-Safingol 46854.8906 109632.4844 59137.1602 54817.1758 139349.4375 22543.2891 700754.1875 517609.2500 57090.7461 11610.1894 311339.6563 36630.9023 Sphinganine(d17:0) C17 Sphinganine 749864.6875 582005.8125 827337.6250 598485.5625 140362.8125 147939.0938 127164.1719 120981.3359 623532.1250 570473.7500 566218.1875 843786.3750 148588.7969 120151.2188 106586.3906 145071.3438 Tetraethylammonium 619710 417201 411707 462387 696765 347108 554928 517859 472328 437133 414398 425213 347343 380000 442896 591988 Thiamin Thiamine 238264.0781 136684.5938 201077.9844 134127.8594 2802218 3105705 2750505 2761383.7500 252853.1875 205539.9219 150131.2813 215931.2813 2885475.7500 3062803.5000 2753045 2481214 trans-3-Octenedioic acid 230953 188479 290089 238064 88695 63434 75515 67929 314772 211147 228764 253234 87928 72555 75459 70424 trans_trans-hepta-2_4_6-trienoic acid 578126 649252 523575 530032 733001 537465 551453 615368 Tributyl phosphate Tributyl phosphate 296854.3750 398400.7188 423738.5938 910966.6875 1060044.1250 757950.3125 698068 654344.1250 416099.7188 1807013.3750 387367.0313 1841041.5000 1291169 836796.6875 762411 250943.8594 triethyl phosphate Triethyl phosphate 274005 327596 309057 296114 156110 48449 112004 72311 290192 437052 191067 351316 176388 104709 145530 54186 Trimethylaminoacetone Trimethylaminoacetone 282440 527328 786305 403318 408825 334790 410956 396537 356147 346787 458111 421829 383376 296011 311658 317225 Tris(butoxyethyl)phosphate 2086578.8750 2402434.7500 442983.8125 59921.2695 49942.2617 316279.1875 103914.2109 72132.0078 2425344 62631.4883 503510.7500 48463.7305 125153.5938 71156.8359 306313.5625 120077.3594 ubiquinol-1 718376 711001.6875 519711.5625 576084.3750 44757.3320 62562.6562 69898.2578 53977.3555 725515.3750 569235.4375 666998.8125 781693.1875 27722.0078 70897.7109 46102.3047 53188.1133 UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate 2741770.7500 1419010.3750 2223038.7500 1978585.2500 20858.0039 2925625.7500 2016747.2500 3048464.2500 2495864.7500 Umbelliferone Umbelliferone 1007229 546084 796820 914904 7627 16368 784377 736750 1012706 1332523 15257 Uracil 5-carboxylate Uracil-5-carboxylic acid 274451 182560 230420 235568 245755 190818 241349 229138 Urethane Ethyl carbamate 1096098 672811 922880 762707 107704 86571 95469 81988 915448 818089 1126292 934286 120217 64165 99379 70551 Urocanate Urocanic acid 261299 260218 248918 257319 251953 314488 383391 227160 282540 335237 251013 248729 601276 342703 237728 232984 Val-Val Val-Val 326879.6563 139953.3906 324367.5313 186895.2344 327639.9375 180421.8438 317486.4375 306391.8438 Xanthosine Xanthosine 96766.3594 29910.9258 122137.4063 144061.6875 73091.5703 50410.3867 Xanthosine 5^-phosphate XMP 359052.7500 205918.6563 512522.6563 196093.0313 206101.7344 163697.0938 227481.8750 107074.1250 Xylitol Xylitol 509595 300166 497507 248412 932001 860899 956049 931090 549836 343614 368957 354799 901489 908850 860532 992517 ZAPA ZAPA 141811 86815 109426 252976 392566 302850 438995 179533 125753 87596 52999 283942 456772 308415 413108 α-(2_6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 2491370.5000 2038349.6250 2375123.2500 2215614.2500 3040302 2282283 3093205.7500 2543346.7500 γ-glutamyl-L-alaninol 329677.4688 227944.5156 439190.3125 280010.4375 418513.0313 271724.9375 401937.3125 374843.5000 γ-glutamyl-S-t-propenylcysteine 540463.8750 418504.9688 249750.5469 89247.0781 387989.7813 366168.5000 179171.4844 105994.5859