Data for ST001788
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 10-oxogeranial | 1233038.00 | 1252205.38 | |
| 1,2-Dihydroxymint lactone | 738418.88 | 942531.75 | |
| 1,3,5-trimethoxybenzene | 4364260.62 | 4077689.25 | |
| 1-4-beta-D-Glucan | 139953.57 | 116090.71 | |
| 1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate | 12546633.25 | 10324356.40 | |
| 1,8-Diazacyclotetradecane-2,9-dione | 33157627.25 | 32703816.25 | |
| 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide | 1485922.38 | 1144885.88 | |
| 1H-Imidazole-4-ethanamine | 115780.50 | 150175.75 | |
| 1-methylguanosine | 298239.12 | 265157.00 | |
| 1-Methylhypoxanthine | 535007.00 | 453867.75 | |
| 1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one | 113429.43 | 92643.12 | |
| 1-Pyrroline-2-carboxylate | 1883469.12 | 1586163.12 | |
| (1-Ribosylimidazole)-4-acetate | 137828.25 | 196571.60 | |
| 2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one | 276893.25 | 271375.25 | |
| 2,3,4,5-Tetrahydrodipicolinate | 232622.00 | 188296.50 | |
| 2,3,5-Trihydroxytoluene | 702638.80 | 971808.75 | |
| 2,3-Diaminosalicylic acid | 103049.00 | 93053.25 | |
| 2,3-Dihydroxycyclopentaneundecanoic acid | 195776.50 | 201517.62 | |
| 2,3-Dimethylmaleate | 1010022.33 | 663953.57 | |
| 2,4,6-Trihydroxytoluene | 528605.86 | 582925.17 | |
| 2,6-Dihydroxyphenylacetate | 1738744.00 | 1617061.00 | |
| 2,6-Dimethylaniline | 289870.38 | 288998.75 | |
| 2-acetamidoglucal | 299769.25 | 259848.38 | |
| 2-(Acetamidomethylene)succinate | 498323.00 | 568132.75 | |
| 2-butyl-4-hydroxy-5-methyl-3(2H)-furanone | 735382.88 | 643305.12 | |
| (2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanone | 979043.38 | 1016752.50 | |
| 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan | 87066.50 | 74536.75 | |
| 2-hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one | 1116846.50 | 1128091.00 | |
| 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate | 1274170.00 | 1214396.67 | |
| 2-Hydroxy-6-oxoocta-2,4,7-trienoate | 994381.25 | 659160.50 | |
| 2-Hydroxy-6-oxo-octa-2,4-dienoate | 2514462.50 | 2960425.00 | |
| 2-Hydroxyadenine | 181235.25 | 163162.50 | |
| 2-Hydroxycyclohexan-1-one | 314494.25 | 330773.12 | |
| 2-hydroxypurine | 909442.25 | 747493.25 | |
| 2-Isopropylmaleate | 110090.38 | 104190.25 | |
| 2-Methylbutyroylcarnitine | 2266284.12 | 2211198.12 | |
| 2-Methyleneglutarate | 628293.80 | 600047.83 | |
| 2-Octenedioicacid | 3746290.50 | 4618188.12 | |
| 2^-O-Methyladenosine | 640878.14 | 648556.80 | |
| 2-O-Methylcytosine | 120949.00 | 104410.62 | |
| 2-Oxo-4-hydroxy-5-aminovalerate | 941499.75 | 749013.50 | |
| 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate | 517594.88 | 657350.75 | |
| 2-oxopenta-3,4-dienoate | 663913.00 | 714517.00 | |
| 2-oxosuberate | 275197.25 | 287335.25 | |
| 2-S-Glutathionyl acetate | 14622177.25 | 15238388.75 | |
| 3-(2,3-Dihydroxyphenyl)propanoate | 283710.62 | 301141.88 | |
| 3-(3,4-Dihydroxyphenyl)lactate | 283353.75 | 349249.50 | |
| 3,3-Dimethylglutaricacid | 1117092.00 | 1898018.67 | |
| 3,4-Dihydro-2H-Pyrrole-2-carboxylate | 513949.62 | 399111.88 | |
| 3,4-Dihydroxymandelaldehyde | 5291388.75 | 5043036.75 | |
| 3,4-Dihydroxyphenylacetaldehyde | 376713.00 | 363341.25 | |
| 3-(4-Hydroxyphenyl)pyruvate | 212853.50 | 261423.75 | |
| 3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene | - | 121879.00 | |
| 3^,5^-Cyclic AMP | 424210.25 | 433969.75 | |
| 3,5-dihydro-5-methylidene-4H-imidazol-4-one | 152528.00 | 200392.50 | |
| 3,6-Nonadienal | 485814.25 | 504138.62 | |
| 3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid | 1340340.75 | 1356149.25 | |
| 3-acetyl-3-methyldihydrofuran-2(3H)-one | 468341.38 | 454156.62 | |
| 3-Amino-2-piperidone | 127858.43 | 111518.25 | |
| 3-Aminobenzenesulfonate | 64667.62 | 71130.00 | |
| 3-Butylidene-7-hydroxyphthalide | 126247.38 | 130249.62 | |
| 3-Butynoate | 347281.20 | 316066.60 | |
| 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid | 349046.00 | 393261.75 | |
| 3-Dehydroxycarnitine | 227161.75 | 211947.00 | |
| 3-Dimethylallyl-4-hydroxymandelic acid | 613296.75 | 592153.75 | |
| 3-Ethylmalate | 408476.60 | 442694.40 | |
| 3-Furoicacid | 236205.50 | 313213.25 | |
| 3-Hydroxyanthranilate | 162301.50 | 79690.25 | |
| 3Hydroxycoumarin | 741431.00 | 662395.75 | |
| 3-Isopropylcatechol | 280659.25 | 370429.62 | |
| 3-Ketosphingosine | 683787.83 | 415640.50 | |
| 3-Methoxy-4-hydroxyphenylacetaldehyde | 609332.40 | 724331.75 | |
| 3-Methoxy-4-hydroxyphenylethyleneglycol | 3781953.50 | 5486922.00 | |
| 3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one | 207441.88 | 249652.88 | |
| 3-Methylglutarylcarnitine | 669404.43 | 608254.00 | |
| 3-Methylguanine | 607576.88 | 516423.88 | |
| 3-nitro-2-butanol | 548850.50 | 443171.75 | |
| 3-Oxo-4-methylpentanoic acid | 222953.00 | 187998.25 | |
| 3-(Pyrazol-1-yl)-L-alanine | 1799137.38 | 2014083.38 | |
| (3R)-hydroxy-N-acetyl-(L)-arginine | 10233812.25 | 18250666.00 | |
| (3S,5S)-carbapenam | 284643.12 | 166209.62 | |
| 3-Ureidopropionate | 1005401.62 | 753229.38 | |
| 4,8-Dimethyl-1,3E,7-nonatriene | 311698.25 | 238330.00 | |
| 4-8dimethylnonanoylcarnitine | 269185.33 | 214331.83 | |
| 4-Aminobenzenesulfonate | 215136.25 | 247982.75 | |
| 4-Aminobutanoate | 826123.75 | 650171.50 | |
| 4-fluorotryptophan | 1324374.88 | 1635076.00 | |
| 4-Guanidinobutanoate | 1357701.75 | 932120.38 | |
| 4-Hexyloxyphenol | 725905.50 | 646104.50 | |
| 4-hydroxy-5-methyl-2-propyl-3(2H)-furanone | 577474.88 | 586333.00 | |
| 4-Hydroxycinnamyl aldehyde | 152343.25 | 143380.25 | |
| 4-Hydroxyphenylacetylglycine | 209746.25 | 215749.25 | |
| 4-Hydroxyphenylethanol | 1227630.00 | 1162688.62 | |
| 4-Imidazolone-5-acetate | 247586.00 | 327172.00 | |
| 4-Imidazolone-5-propanoate | 2827226.00 | 2838324.00 | |
| 4-Methylbenzyl alcohol | 457222.00 | 485148.75 | |
| 4-Nitroaniline | 158975.62 | 192089.75 | |
| 4-oxo-4-(3-pyridyl)-butanoate | 4529995.38 | 5091784.88 | |
| 4-Oxocyclohexanecarboxylate | 1144402.75 | 1196451.25 | |
| 4-Pyridoxate | 171200.00 | 154184.50 | |
| 4-Pyridoxolactone | 468468.00 | 452596.12 | |
| 4-(Trimethylammonio)but-2-enoate | 174684.25 | 132815.12 | |
| 4-Trimethylammoniobutanoate | 3077558.25 | 2395062.62 | |
| 5,6,7,8-Tetrahydro-2-naphthol | 510195.25 | 548270.25 | |
| 5,6-Dihydrothymine | 116243.00 | 84344.62 | |
| 5-Aminolevulinate | 74104509.75 | 59252798.12 | |
| 5-Aminopentanoate | 1200994.75 | 1102294.50 | |
| 5-Guanidino-2-oxopentanoate | 790992.50 | 543056.25 | |
| 5-guanidino-3-methyl-2-oxo-pentanoate | 1977654.00 | 2282037.50 | |
| 5-Hydroxyconiferaldehyde | 422278.00 | 503274.00 | |
| 5-Hydroxyindolepyruvate | 494646.75 | 347249.50 | |
| 5-Hydroxytryptophan | 439122.75 | 327303.25 | |
| 5-Hydroxytryptophol | 219682.50 | 156943.00 | |
| 5-Methyl-2-furaldehyde | 371536.25 | 398976.38 | |
| 5-Nitro-2-furfuryl methyl ether | 296072.00 | 324781.75 | |
| 5-Oxo-1,2-campholide | 978902.50 | 922850.75 | |
| (+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah... | 160617.88 | 132835.75 | |
| 6-Acetamido-2-oxohexanoate | 793247.12 | 919397.38 | |
| 6-Amino-2-oxohexanoate | 349051.50 | 348871.00 | |
| 6-endo-Hydroxycineole | 88068.12 | 86518.50 | |
| 6-isobutyl-4-hydroxy-2-pyrone | 580226.25 | 636159.50 | |
| 6-oxo-1,4,5,6-tetrahydronicotinate | 619291.25 | 511474.50 | |
| 7,8-Dihydromethanopterin | - | - | |
| (+)-7-Isojasmonic acid | 170174.88 | 156427.88 | |
| 7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate | 3282259.88 | 3705664.86 | |
| 7-Methylguanine | 302001.50 | 310316.75 | |
| 8-Amino-7-oxononanoate | 6984077.25 | 6970881.88 | |
| 8-Oxocoformycin | 805166.00 | 709288.88 | |
| 9-Oxononanoic acid | 113471.00 | 115625.00 | |
| 9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoic acid | 514654.25 | 565681.75 | |
| (Ac)2-L-Lys-D-Ala | 242776.25 | 234277.75 | |
| Acetoacetate | 478612.50 | 642425.50 | |
| Acetyl-CoA | 853184.50 | 827500.25 | |
| Acetylpseudotropine | 82336.88 | 122497.50 | |
| Adenine | 558926.25 | 441791.75 | |
| Adenosine | 13077540.62 | 12547222.25 | |
| Ala-Ala-Ala | 208884.00 | 93930.67 | |
| Ala-Ala-Ala-Asp | 1004780.67 | 1015355.88 | |
| Ala-Ala-Ala-Ser | 802595.00 | 793929.75 | |
| Ala-Asn-Ser | 461903.20 | 417282.80 | |
| Ala-Asp-Cys | 919577.75 | 1005415.00 | |
| Ala-Asp-Gly | 122783.88 | 248720.40 | |
| Ala-Cys-Ser-Ser | 392892.25 | 270683.75 | |
| Ala-Gly-Pro | 847595.50 | 800909.38 | |
| Ala-Leu-Met-Ser | 422480.12 | 465866.12 | |
| Ala-Lys-Trp-Val | 81770.88 | 83611.75 | |
| Alatanin 2 | 19411.80 | 21373.50 | |
| Ala-Thr-Ala-Ala | 2176950.20 | 901260.60 | |
| Aldicarb | 233196.00 | 287874.25 | |
| Alliin | 1949178.00 | 1612368.25 | |
| allopurinol | 564686.88 | 470949.12 | |
| Allylisothiocyanate | - | - | |
| alpha-Methylstyrene | 1488365.12 | 2373708.50 | |
| AMCC | 2999824.25 | 3419132.25 | |
| AMP | 1966047.25 | 1632224.40 | |
| Anthenoside A | 5020251.25 | 5240263.12 | |
| Anthranilate | 429523.00 | 315631.38 | |
| Apiole | 445153.50 | 454155.50 | |
| Arecoline | 234827.75 | 237587.00 | |
| Asn-Asn-Cys-Pro | 335042.25 | 288787.00 | |
| Asn-Leu-Asn-Tyr | 403637.80 | 206955.71 | |
| Asn-Lys-Phe-Asp | 104178.75 | 129663.75 | |
| Asn-Met-Gln-Pro | 2769595.75 | 2650812.00 | |
| Asn-Val-Asn-Ser | 1043088.88 | 1065618.25 | |
| Asp-Arg | 80670.00 | 60657.75 | |
| Aspartyl-L-proline | 428129.75 | 362867.00 | |
| Asp-Cys-Cys-Ser | 766050.75 | 1628567.20 | |
| Asp-Leu-Met-Pro | - | 1037930.75 | |
| Asp-Met-Asp-Gly | 5703726.50 | 2747608.50 | |
| Asp-Thr-Cys-Tyr | 661061.60 | 560909.83 | |
| Bendiocarb | 336345.25 | 552497.75 | |
| Benzene-1,2,4-triol | 344448.00 | 313261.25 | |
| Benzyl 2-methyl-3-oxobutanoate | 367926.25 | 336069.25 | |
| Betaine | 13209072.88 | 12480711.62 | |
| Bicine | 65501.75 | 75527.75 | |
| Bicozamycin | 257052.50 | 241806.25 | |
| Biotin | 523506.12 | 463425.38 | |
| Biotinsulfone | 208748.00 | 308059.00 | |
| Bis(2-ethylhexyl)phthalate | 22113572.50 | 21529249.75 | |
| Bisnorbiotin | 5578698.50 | 4580068.00 | |
| Boc-Asn | 220565.00 | 161839.75 | |
| Botrydial | 1316097.67 | 889530.38 | |
| Butanoic acid | 56766.75 | 72124.38 | |
| Butenylcarnitine | 1372552.75 | 1303323.12 | |
| butyrylcholine | 1754916.17 | 1518835.25 | |
| (-)-Camphor | 193891.75 | 171419.88 | |
| Caproylcholine | 175598.00 | 164517.00 | |
| CAPS | 141810896.00 | 136887260.75 | |
| carbidopa | 275528.75 | 218160.00 | |
| Carnosine | 227199.17 | 265030.00 | |
| Carpacin | 375064.20 | 364469.00 | |
| Casein K | 987251.00 | 953988.50 | |
| CDP | 454550.75 | 605526.25 | |
| CDP-choline | 5847218.75 | 7630333.00 | |
| CDP-ribitol | 84079.50 | 87059.00 | |
| Cerulenin | 105894.75 | 103419.75 | |
| CHAPS | 2039308.60 | 1750979.17 | |
| Chelilutine | 2491650.50 | 2410846.50 | |
| Choline | 2403075.12 | 2527263.12 | |
| Choline phosphate | 525164570.50 | 601327332.38 | |
| cis-1,2-Dihydro-3-ethylcatechol | 278154.88 | 348602.00 | |
| cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene | 202454.86 | 190855.62 | |
| cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol | 4538903.50 | 5108428.00 | |
| cis-4-Octenedioicacid | 138050.00 | 147790.12 | |
| CMP | 270664.75 | 287975.75 | |
| Coniferyl alcohol | 718089.33 | 811442.40 | |
| Convicine | 69273.75 | 53933.50 | |
| Creatine | 238573654.25 | 229791059.62 | |
| Creatinine | 12549042.75 | 11416400.00 | |
| Cumene | 687982.12 | 717047.25 | |
| Cycasin | 493850.86 | 366743.75 | |
| Cyclohex-2-enone | 1246142.00 | 1403446.86 | |
| Cyclohexane-1,3-dione | 876122.75 | 812234.50 | |
| Cys-Cys-Pro-Ser | 171429.25 | 292814.75 | |
| Cys-Gly | - | 35972.00 | |
| Cys-His | - | 158754.00 | |
| Cys-Pro-Pro | 179675.00 | 198295.75 | |
| Danielone | 1835237.50 | 1631587.00 | |
| D-Apiitol | 69275.50 | 74733.88 | |
| decanamide | 286011.38 | 286250.75 | |
| dehydrolysine | 83485.00 | 98404.75 | |
| Dehydrophytosphingosine | 269392.12 | 252679.62 | |
| delta1-Piperideine-2-carboxylate | 10321582.00 | 8507007.12 | |
| Deoxycytidine | 723997.25 | 505953.50 | |
| Dethiobiotin | 98499.33 | 78557.43 | |
| Diacetylmonoxime | 152444.25 | 204122.00 | |
| Diethyl 2-methyl-3-oxosuccinate | 603568.50 | 717474.62 | |
| Diethyl sulfide | 342063.00 | 251495.25 | |
| Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one | 470611.50 | 445420.38 | |
| Dihydro-4,4-dimethyl-2,3-Furandione | 281786.12 | 291555.25 | |
| dihydrothymidine | 282435.75 | 244264.75 | |
| Diisononyl phthalate | 616420.00 | 333477.12 | |
| Diisopropyl phosphate | 97970.33 | 100079.14 | |
| Dimethyl adipate | 334802.60 | 225884.00 | |
| Dinor-PGE2 | 1230512.50 | 1206711.00 | |
| DL-Methionine sulfone | 150981.00 | 91540.17 | |
| DL-β-hydroxynorvaline | 196751.80 | 119902.17 | |
| Dodecanedioic acid | 96259.62 | 99633.38 | |
| Dolichodial | 201883.12 | 218073.12 | |
| Dopaminequinone | 2989576.50 | 2832172.88 | |
| Epothilone A | 1529906.25 | 1651822.00 | |
| epsilon-Caprolactam | 329918.75 | 459666.25 | |
| E-pyridine-3-aldoxime | 1737855.62 | 1806966.12 | |
| (-)-erythro-(2R,3R)-dihydroxybutylamide | 626379.62 | 346715.88 | |
| Ethyl 3-oxohexanoate | 114659.00 | 145048.14 | |
| Ethyladipicacid | 68504.57 | 78515.75 | |
| Ethylphosphate | 330835.00 | 245219.25 | |
| Eugenol methyl ether | 1081500.12 | 1027727.88 | |
| FA (12:1) Decenedioic acid | 595918.62 | 673123.88 | |
| FA (12:1) dodecenoic acid | 164362.50 | 207784.75 | |
| FA (14:2) tetradecadienal | 66451.00 | - | |
| FA (16:2) | 195248.00 | 168154.00 | |
| [FA (18:1)] 9Z-octadecenamide | 1482157.38 | 1606711.38 | |
| FA (6:1) | 1400188.38 | 1326353.50 | |
| [FA (7:1)] 3-heptynoic acid | 1002913.57 | 821522.12 | |
| [FA (7:2)] 2,4-heptadienal | 348782.88 | 343317.62 | |
| FA (8:0) octanoic acid | 2926252.62 | 2868083.38 | |
| FA (8:2) | 1053116.50 | 1033166.50 | |
| FA (9:1) nonynoic acid | 122733.12 | 115849.12 | |
| FA (9:2) nonadienoic acid | 872811.88 | 810622.50 | |
| [FA amino(14:0)] 2-amino-tetradecanoic acid | 135709.00 | 70712.00 | |
| FAD | 951403.50 | 899890.00 | |
| FA dioxo(10:0) | 527684.62 | 548493.38 | |
| [FA hydroxy(10:0)] N-(3S-hydroxydecanoyl)-L-serine | 2202802.00 | 2332489.62 | |
| [FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-... | 357805.12 | 356921.25 | |
| [FA hydroxy(18:2)] 13S-hydroxy-9Z,11E-octadecadienoic acid | 196073.75 | 231525.50 | |
| [FA methoxy,hydroxy(18:2)] octadecadienoic acid | 411613.50 | 387277.25 | |
| FA methyl(5:1) | 381482.50 | 364755.88 | |
| FA methyl(6:1) | 951673.00 | 1108052.38 | |
| [FA methyl,hydroxy,oxo(5:2/4:0)] methyl 4-[2-(2-formyl-vinyl... | 796612.43 | 487225.75 | |
| [FA oxo(5:1/5:0)] (1S,2R)-3-oxo-2-(2^Z-pentenyl)-cyclopentan... | 149227.00 | 146638.75 | |
| FA oxo(8:0) oxo-octanoic acid | 255396.50 | 292203.75 | |
| [FA oxo(8:1)] 5-oxo-7-octenoic acid | 291103.38 | 296629.62 | |
| [FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid | 221666.38 | 215603.88 | |
| Fasoracetam | 111678.75 | 102941.00 | |
| Flavanone | 1146751.62 | 1172755.12 | |
| Furfural | 207992.75 | 246460.17 | |
| Furfural diethyl acetal | 434164.00 | 508525.25 | |
| gamma-Glutamyl-beta-aminopropiononitrile | 3907169.25 | 3778181.62 | |
| Gamma-Glutamylglutamine | 740341.50 | 1749836.17 | |
| Gammaglutamylornithine | 56650.00 | 40049.00 | |
| gamma-Glutamyl-Se-methylselenocysteine | 297973.75 | 275853.50 | |
| gamma-L-Glutamyl-D-alanine | 382775.33 | 732387.75 | |
| gamma-L-Glutamyl-L-cysteine | 510404.00 | 906715.75 | |
| gamma-L-Glutamyl-L-cysteinyl-beta-alanine | 224598.75 | 327623.33 | |
| gamma-Undecalactone | 61145.71 | 63521.38 | |
| GDP-3,6-dideoxy-D-galactose | 234448.00 | 217869.33 | |
| Glu-Ala-Asp | 502293.25 | 578562.25 | |
| Glu-Ala-Glu | 189080.00 | 141986.25 | |
| Glu-Ala-Ser | 1052160.80 | 697705.00 | |
| Glu-Arg | 873905.50 | 1133204.25 | |
| Glu-Cys-Glu | 817128.50 | 782212.50 | |
| Glu-Cys-Gly | 1647199.25 | 2164804.75 | |
| Glu-Glu | 671777.12 | 3015134.80 | |
| Glu-Glu-Met | 226898.25 | 169315.75 | |
| Glu-Met | 177103.00 | 192439.50 | |
| Glu-Met-Ser | 2881363.75 | 2293284.75 | |
| Glutarimide | 181285.50 | 189501.62 | |
| Glutathione | 938266.88 | 1152402.57 | |
| Glutathione disulfide | 14346320.25 | 16067648.25 | |
| Glu-Thr-Thr | 285709.33 | 597595.00 | |
| Gly-Arg | 94205.88 | 69822.29 | |
| Glycyl-leucine | 175921.75 | 153159.75 | |
| Glycylproline | 145156.62 | 133999.00 | |
| Guanidinoacetate | 316351.38 | 333080.25 | |
| HEPES | 1740014.75 | 1613829.50 | |
| Heptanoylcarnitine | 598117.83 | 439783.50 | |
| Heptanoylcholine | 113258.38 | 102109.12 | |
| Herniarin | 194592.00 | 161155.38 | |
| Heterodendrin | 2394371.75 | 2291281.75 | |
| Hexanoylcarnitine | 1273365.57 | 1202932.14 | |
| Hexylamine | 775240.00 | 785826.25 | |
| histidine methyl ester | 995839.88 | 941380.50 | |
| Homoarginine | 92375.88 | 82803.00 | |
| homofuraneol | 343547.25 | 336468.88 | |
| Homostachydrine | 162462.25 | 136972.62 | |
| Hydroxyhexanoycarnitine | 4751723.40 | 5076687.40 | |
| Hymenoxon | 1260942.17 | 1195341.33 | |
| Hypotaurine | 602258.75 | 570059.75 | |
| Hypoxanthine | 175183.33 | 152889.67 | |
| Ile-Ala | 277354.38 | 228634.50 | |
| Ile-Asn | 196084.71 | 188229.12 | |
| Ile-Ile-Pro | 585820.00 | 438270.75 | |
| Ile-Lys | 852511.75 | 681828.00 | |
| Ile-Ser | 115389.57 | 142552.20 | |
| Ile-Val | 81008.14 | 104035.50 | |
| Imidazole-4-acetate | 152911.62 | 149934.88 | |
| Indole | 121969.38 | 134438.12 | |
| Indolelactate | 279416.60 | 229351.50 | |
| Inosine | 1493126.50 | 1108991.00 | |
| Integerrine | 869683.00 | 929294.00 | |
| Isobutyryl-L-carnitine | 1622411.17 | 1321693.43 | |
| Isonicotineamide | 1353922.38 | 1380980.62 | |
| Isopentenyl adenosine | 1037956.25 | 1008415.00 | |
| Isovalerylcarnitine | 193419.00 | 174581.25 | |
| Isovalerylglutamicacid | 585938.75 | 597183.62 | |
| (-)-Jasmonic acid | 1762868.88 | 1763991.00 | |
| L-1-Pyrroline-3-hydroxy-5-carboxylate | 1426847.38 | 1012600.75 | |
| L-2-Amino-6-oxoheptanedioate | 15497927.25 | 14522379.60 | |
| L-Alanine | 11789098.38 | 9862518.00 | |
| L-Arginine | 89698273.50 | 92284184.50 | |
| L-Asparagine | 9150044.88 | 11387094.75 | |
| L-Aspartate 4-semialdehyde | 143941.88 | 151810.75 | |
| L-Carnitine | 11199364.38 | 8516782.75 | |
| L-Citrulline | 966411.75 | 872814.75 | |
| L-Cysteine | 60194.00 | 58170.75 | |
| L-Cysteinylglycinedisulfide | 161379.75 | 343975.00 | |
| L-Cystine | 11748669.71 | 6761154.57 | |
| Leu-Pro | 234165.14 | 218685.00 | |
| L-Formylkynurenine | 5452997.88 | 5621000.25 | |
| L-gamma-glutamyl-L-isoleucine | 3158623.00 | 3231054.12 | |
| L-Glutamate 5-semialdehyde | 3538399.88 | 2487929.12 | |
| L-Glutamine | 260196546.50 | 235482919.00 | |
| L-Histidine | 26034652.38 | 27849131.12 | |
| Linamarin | 1079806.00 | 740819.83 | |
| Linoleamide | 1492393.00 | 1463902.50 | |
| L-isoleucyl-L-proline | 433566.62 | 390755.75 | |
| L-Kynurenine | 7517748.12 | 6231626.12 | |
| L-lactide | 142691.62 | 139659.38 | |
| L-Leucine | 128442907.00 | 128309759.00 | |
| L-Lysine | 11138471.50 | 11757847.12 | |
| L-Methionine | 60876202.00 | 62446139.00 | |
| L-Methionine S-oxide | 3406550.75 | 1270340.50 | |
| L-Ornithine | 4035124.88 | 3952920.12 | |
| L-Phenylalanine | 61291955.00 | 62310413.00 | |
| L-Pipecolate | 131471.38 | 116682.38 | |
| L-Proline | 267469064.00 | 222872682.00 | |
| L-Serine | 1411217.88 | 1648514.75 | |
| L-Threonine | 5540626.88 | 5656601.50 | |
| L-Tryptophan | 5557438.25 | 6240357.25 | |
| L-Tyrosine | 22126305.38 | 16577051.12 | |
| L-Valine | 27108370.00 | 25982294.75 | |
| [LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine | 1042917.75 | 768827.25 | |
| LysoPC(16:0) | 2336477.71 | 1773112.88 | |
| LysoPC(16:1(9Z)) | 2422611.50 | 1518978.00 | |
| [LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine | 1459762.50 | 1210905.75 | |
| LysoPC(18:1) | 1591023.00 | 1074716.00 | |
| Macarpine | 152773.75 | 149450.50 | |
| Mesitylene | 114233.12 | 122211.25 | |
| meso-2,6-Diaminoheptanedioate | 95341.75 | 99850.88 | |
| Met-Asp-Cys | 659019.50 | 628357.25 | |
| Methacholine | 435972.38 | 341201.50 | |
| Methylacetoacetic acid | 349043.12 | 373933.75 | |
| Methyl cinnamate | 274975.75 | 281226.25 | |
| Methylenediurea | 214091.62 | 189130.50 | |
| Methylglutarylcarnitine | 1079695.38 | 1087799.12 | |
| Methylimidazole acetaldehyde | 359549.25 | 241725.33 | |
| Methylimidazoleacetic acid | 196167.62 | 177510.00 | |
| methylphoracetophenone | 203237.88 | 197177.75 | |
| methyl pyruvate | 167546.50 | 159908.25 | |
| Methylripariochromene A | 765828.50 | 868319.50 | |
| Met-Met-Met | 838839.00 | 432442.00 | |
| Militarinone A | 1192520.75 | 1353379.75 | |
| Millettone | 477880.75 | 478773.00 | |
| Miraxanthin-I | 1269226.50 | 678680.00 | |
| MOPS | 161840.14 | 153206.12 | |
| Mukaadial | 808262.43 | 812825.57 | |
| Muramic acid | 1206381.25 | 819919.50 | |
| Mycosporine | 386805.14 | 441117.50 | |
| N-(11Z,14Z-eicosadienoyl)-ethanolamine | 492525.14 | 276377.86 | |
| N-(11Z-eicosaenoyl)-ethanolamine | 514986.86 | 320488.83 | |
| N1,N8-diacetylspermidine | 3712855.25 | 3191171.50 | |
| N2-Acetyl-L-aminoadipate | 484204.00 | 645554.60 | |
| N2-(D-1-Carboxyethyl)-L-arginine | 669542.75 | 474656.12 | |
| N2-N2-Dimethylguanosine | 311335.00 | 264717.12 | |
| N-(3-acetamidopropyl)-4-aminobutanal | 209619.12 | 260978.12 | |
| N-(3-hydroxybutanoyl)-L-homoserine | 2850074.50 | 2958940.50 | |
| N-(3-oxooctanoyl)-L-homoserine | 9683379.50 | 7405248.80 | |
| N4-Acetylaminobutanal | 212090.50 | 169242.50 | |
| N4-Acetylcytidine | 244074.50 | 194550.12 | |
| N5-(L-1-Carboxyethyl)-L-ornithine | 192588.25 | 419935.25 | |
| N6-Acetyl-L-lysine | 308150.75 | 258758.00 | |
| N6-Acetyl-N6-hydroxy-L-lysine | 617237.00 | 1379984.50 | |
| N6-Methyl-L-lysine | 765934.62 | 643257.25 | |
| N6,N6,N6-Trimethyl-L-lysine | 1047107.50 | 868118.50 | |
| N-Acetyl-aspartyl-glutamate | 3302681.17 | 4134283.20 | |
| N-Acetyl-D-glucosaminate | 257466.50 | 244506.75 | |
| N-Acetyl-D-glucosamine | 201328.88 | 187096.88 | |
| N-Acetyl-D-quinovosamine | 3648340.60 | 2961084.33 | |
| N-Acetylglutamine | 486605.88 | 398905.50 | |
| N-Acetyllactosamine | 230499.50 | 229635.50 | |
| N-Acetyl-L-citrulline | 114802165.62 | 83575542.00 | |
| N-Acetyl-L-glutamate 5-semialdehyde | 19118513.25 | 15948915.12 | |
| N-Acetyl-L-histidine | 1670740.88 | 1785176.62 | |
| N-Acetylmethionine | 3626341.67 | 2332022.00 | |
| N-Acetylmuramate | 196663.00 | 184681.33 | |
| N-Acetylornithine | 657187.71 | 508107.00 | |
| N-Acetylvanilalanine | 233994.00 | 168273.00 | |
| NAD+ | 34727236.50 | 40913043.75 | |
| NADP+ | 3323422.75 | 3043786.75 | |
| NADPH | 1637072.50 | 1400287.25 | |
| N(alpha)-t-Butoxycarbonyl-L-leucine | 1697305.62 | 1585279.12 | |
| N-Butyryl-L-homoserine lactone | 196710.38 | 171862.38 | |
| N-Carbamyl-L-glutamate | 2956692.00 | 3522172.25 | |
| N-Carboxyethyl-g-aminobutyricacid | 106356.50 | 137056.67 | |
| Ne,Ne dimethyllysine | 304308.38 | 269975.12 | |
| N-ethylsuccinimide | 961041.12 | 812760.88 | |
| Neuraminic acid | 489636.00 | 534129.25 | |
| N-Formimino-L-glutamate | 245609.12 | 197617.75 | |
| Ngamma-Monomethyl-L-arginine | 76701.38 | 75585.50 | |
| N-Glycolyl-D-glucosamine | 49643.50 | 50432.50 | |
| NG,NG-Dimethyl-L-arginine | 1251901.12 | 1121877.12 | |
| N-Heptanoylglycine | 1234967.75 | 1223855.12 | |
| N-hydroxy-N-isopropyloxamate | 1242765.25 | 839924.50 | |
| nicotinamide riboside | 129707.86 | 116480.14 | |
| N-Methylnicotinate | 123076.00 | 67204.17 | |
| N,N-dihydroxyisoleucine | 1155877.00 | 1441129.17 | |
| N,N-dihydroxyvaline | 97014.25 | 73828.40 | |
| N,N-Dimethylaniline | 326082.38 | 314583.25 | |
| N,N-Dimethylaniline N-oxide | 236571.50 | 243519.50 | |
| N,N-Dimethylglycine | 815857.62 | 757097.50 | |
| N-Nonanoylglycine | 664265.38 | 615820.62 | |
| N-Phenylacetamide | 79847.00 | 92342.00 | |
| N(pi)-Methyl-L-histidine | 3444804.25 | 3380061.62 | |
| n-Propyl gallate | 1763834.00 | 1575836.00 | |
| N-succinyl-L-citrulline | 4650743.25 | 8605910.25 | |
| N-Succinyl-LL-2,6-diaminoheptanedioate | 704289.00 | 1329448.50 | |
| N-Undecanoylglycine | 1107615.88 | 1753074.88 | |
| N-α-L-histidine | 641542.00 | 594425.86 | |
| O-Acetylcarnitine | 391728.71 | 422896.80 | |
| O-Acetyl-L-homoserine | 249929823.75 | 220098928.25 | |
| O-Butanoylcarnitine | 1617280.75 | 1050395.25 | |
| Octadecanamide | 420425.14 | 339070.43 | |
| Octylamine | 1144561.12 | 1152671.38 | |
| Oleandolide | 470955.00 | 508062.00 | |
| Ophthalmicacid | 253179.50 | 294734.50 | |
| O-Propanoylcarnitine | 1032267.88 | 954854.75 | |
| Orthophosphate | 463797.25 | 633520.75 | |
| Osajin | 327648.75 | 331488.75 | |
| Ovalifolin | 420340.50 | 521918.50 | |
| Palmiticamide | 434952.00 | 417496.20 | |
| Palmitoleamide | 186464.00 | 137926.75 | |
| Pantothenate | 32042184.00 | 24615983.50 | |
| Pantothenol | 152840.12 | 184061.75 | |
| [PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine | 497159.50 | 358655.00 | |
| PC(2:0) | 129169.00 | 121550.00 | |
| [PC] 2-valeryl-sn-glycero-3-phosphocholine | 383728.75 | 375635.50 | |
| PC(32:1) | 3040667.67 | 1364103.43 | |
| PC(34:1) | 2957537.38 | 1974748.12 | |
| PC(34:2) | 1983176.12 | 992208.75 | |
| PC(36:2) | 1572536.62 | 1003632.75 | |
| PC(36:4) | 461001.40 | 356774.00 | |
| PC(38:4) | 733648.50 | 699304.40 | |
| PC(38:5) | 500386.43 | 434592.00 | |
| [PC acety] 1-acetyl-sn-glycero-3-phosphocholine | 641555.25 | 459709.25 | |
| Pendimethalin | 878661.00 | 630146.00 | |
| Phe-Asp | 236506.83 | 177061.40 | |
| Phe-Gly | 158955.00 | 199199.75 | |
| Phenolsulfonphthalein | 3021735.62 | 3866529.62 | |
| Phenylacetic acid | 99401.25 | 135795.50 | |
| Phenylacetylglycine | 878843.25 | 668416.00 | |
| Phenylethyl alcohol | 2185830.75 | 2188919.62 | |
| Phenylethylmalonamide | 211608.75 | 221546.00 | |
| Phenylpropanoate | 123681.14 | 164506.00 | |
| Phosphocreatine | 3466022.25 | 5741553.75 | |
| Phosphodimethylethanolamine | 8242922.75 | 11446234.50 | |
| Phosphonoacetaldehyde | 1294106.80 | 1463747.40 | |
| Picolinamide | 70752127.50 | 65503667.50 | |
| Piperidine | 595632.75 | 547641.00 | |
| Pirbuterol | 317938.25 | 268325.62 | |
| [PR] 4-Oxomytiloxanthin | 41268.25 | 34463.33 | |
| [PR] (+)-Bornane-2,5-dione | 281221.50 | 283401.88 | |
| Prenyl-L-cysteine | 157244.50 | 168016.75 | |
| [PR] Iridotrial | 3635841.38 | 3249796.12 | |
| Proclavaminic acid | 471447.25 | 416337.25 | |
| Psicofuranin | 560822.62 | 492003.00 | |
| Pyridine-2,3-dicarboxylate | 783483.12 | 1007664.20 | |
| Pyridoxal | 912471.50 | 757543.75 | |
| Pyridoxine | 19805958.50 | 19585284.25 | |
| Riboflavin | 793415.62 | 760142.25 | |
| Riboflavin cyclic-4^,5^-phosphate | 170598.00 | 145914.50 | |
| Ricinine | 63010.00 | 83124.14 | |
| (R)-S-Lactoylglutathione | 296924.75 | 239340.00 | |
| (S)-1-Pyrroline-5-carboxylate | 841369.38 | 1061299.38 | |
| S-(2-Methylbutanoyl)-dihydrolipoamide | 2924253.00 | 2922373.00 | |
| S-(3-Methylbutanoyl)-dihydrolipoamide | 1321410.00 | 1280137.25 | |
| S-8-methylthiooctylhydroximoyl-L-cysteine | 466788.50 | 445322.00 | |
| S-Adenosyl-L-homocysteine | 1199645.50 | 966024.50 | |
| S-Adenosyl-L-methionine | 8201439.50 | 10921050.60 | |
| Ser-Ser-Tyr | 307863.75 | 455822.00 | |
| S-(Formylmethyl)glutathione | 755513.25 | 547746.25 | |
| Sinapyl alcohol | 1273694.00 | 1073701.60 | |
| Slaframine | 145129.00 | 151808.75 | |
| SM(d18:1/24:1(15Z)) | 854726.75 | 690427.00 | |
| SM(d34:1) | 2832487.62 | 2319778.00 | |
| sn-glycero-3-Phosphocholine | 189604907.00 | 207406848.75 | |
| [SP (14:0)] 1-deoxy-tetradecasphinganine | 150892.88 | 146182.38 | |
| [SP (3:0)] sphinga-4E,8E,10E-trienine | 267345.71 | 256255.50 | |
| [SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R... | 173168.00 | 173154.00 | |
| [SP] Sphing-4-enine-1-phosphate | 460172.25 | 370955.00 | |
| Suberic acid | 51066.50 | 52727.25 | |
| Suberylglycine | 397080.25 | 425646.12 | |
| Succinyl proline | 124540.33 | 141477.33 | |
| Thiamin diphosphate | 263945.75 | 331063.67 | |
| Thr-Cys-Tyr | 200599.75 | 224488.50 | |
| Tiglylcarnitine | 5446834.40 | 3359353.88 | |
| trans-3-Octenedioic acid | 85319.50 | 120074.60 | |
| Tributyrin | 1427294.50 | 1427113.75 | |
| Trimethylaminoacetone | 1426754.50 | 1389835.12 | |
| tropine | 586886.75 | 603015.25 | |
| Trp-Asp-Gly | 84374.60 | 80160.00 | |
| Tyramine | 127373.62 | 140258.38 | |
| Tyramine-O-sulfate | 281383.75 | 328093.25 | |
| U 0521 | 273705.12 | 264559.25 | |
| ubiquinol-1 | 1121487.17 | 1048419.33 | |
| UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate | 1042994.25 | 1054688.50 | |
| Umbelliferone | 2993338.25 | 3116599.50 | |
| Urocanate | 262522.75 | 402659.88 | |
| Val-Val | 202563.25 | 160949.25 | |
| Vanillacticacid | 1045156.00 | 1247750.25 | |
| Vinylacetylglycine | 41028.75 | 58875.62 | |
| Xanthoxin | 508162.62 | 497385.50 | |
| ZAPA | 89923.33 | 82914.75 | |
| α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-p... | 474397.50 | 456202.50 | |
| γ-glutamyl-L-alaninol | 520786.50 | 462267.00 | |
| γ-glutamyl-S-t-propenylcysteine | 231538.50 | 343480.00 |
Factors:
| F1 | treatment:Control_13C-Glucose_4hr |
| F2 | treatment:Isoprenaline_13C-Glucose_4hr |
