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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-Nitrolinoleate10-Nitrolinoleic acidME719025--3.414326.23216
1-[1-(1-Benzothiophen-2-yl)ethyl]urea-ME718932--0.867221.07416
11-Aminoundecanoic acid11-Aminoundecanoic acidME719098--3.941202.18001
1_2-Diaminobenzene-ME719248--3.962119.7516267
"1,2-dihydroxyheptadec-16-yn-4-yl acetate"-ME718852--0.659327.25267
"12H-benzo[5,6][1,4]oxazino[2,3-b]quinoxaline"-ME719004--2.458236.077595
1-(2-pyridin-2-yldiazenyl)-2-naphthol-ME719181--4.785250.09328
"13,14-dihydro-15-keto-tetranor Prostaglandin F1?"-ME718901--0.778318.2272
"1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran...-ME719447--6.822351.03302
1_3_5-trimethoxybenzene-ME718897--0.768169.08585
"1,3,7-Octanetriol"1,3,7-OctanetriolME718933--0.873163.13276
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofu...-ME719527--7.199257.11799
"1,3-Dimethyl-6-morpholino-1,2,3,4-tetrahydropyrim...-ME719470--6.933226.11848
"1,3-Dipropylxanthine"-ME719370--6.147237.13432
1-{4-[(3S)-3-(1-Methyl-1H-benzimidazol-2-yl)-1-pyr...-ME718887--0.728295.19012
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxyl...-ME719563--7.495259.12867
1-(4-Amino-5-hexyn-1-yl)guanidine-ME719085--3.828155.12904
1_4-Diaminobutane;Putrescine-ME719253--5.19389.10702
1-(4-Hydroxyphenyl)-2-aminoethanol-ME719141--4.38329.14915
1_4-Lactone-ME719371--5.8595.5578
1_5-Anhydro-D-mannitol-ME719302--5.653165.07573
1-[5-Nitro-2-(1-pyrrolidinyl)benzyl]-1H-imidazole-ME719064--3.726295.12206
1_6_6-Trimethyl-2_7-dioxabicyclo[3.2.2]nonan-3-one-ME718880--0.71432.23769
"1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic...-ME718948--0.952274.10701
1-Amino-1-deoxy-scyllo-inositol-ME719295--3.628188.600085
1-Amino-1-deoxy-scyllo-inositol4-phosphate-ME719582--7.674260.05279
1-aminobutylphosphonic acid-ME719117--4.179154.06331
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME719312--4.091107.3929933
"1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine"-ME719487--7.041247.12869
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,...-ME718982--2.003245.11291
1-Cyclohexenecarboxylic AcidCyclohex-1-enecarboxylic acidME719019--3.33168.10179
1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositolME719568--7.508220.09268
1-Deoxy-D-altro-heptulose7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME719565--7.498275.05242
1-Deoxy-L-mannitol-ME719012--3.207189.07325
1-EBIO-ME719065--3.729163.08648
1-Methyladenine1-MethyladenineME719134--4.334150.07733
1-Methylhistidine1-MethylhistidineME719176--4.751170.09237
1-Methylpyrrolinium1-MethylpyrroliniumME719457--6.849167.15422
1-Methylxanthine1-MethylxanthineME719054--3.662167.05635
1-Nitrosopiperidine-ME719602--8.003115.08683
1-phenylethan-1-one hydrazone-ME719213--5.018152.11815
1-phenylpropane-1_2-dione-ME719173--4.702166.08618
1-Pyrroline-4-hydroxy-2-carboxylate1-Pyrroline-4-hydroxy-2-carboxylateME719320--5.631150.56318
"(1R,5R)-3,3,5-Trimethylcyclohexyl 5-oxo-L-prolina...-ME719050--3.655286.20103
"(1R,5S,6R,7R,9S,11S,12S,13S,14S)-3-Amino-14-methy...-ME719380--6.107326.0956
(1-Ribosylimidazole)-4-acetateImidazoleacetic acid ribosideME719523--7.254259.09229
(1S_4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate-ME718857--0.671159.06504
"(1S,6S)-6-Aminooctahydro-1-indolizinyl acetate"-ME719411--6.5199.14401
1-Vinyl-2-pyrrolidone-ME719401--6.441112.07596
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid-ME719513--7.203255.06432
"2,2'-Iminodipropan-1-ol"-ME719099--3.943134.11759
2_2'-Iminodipropanoate-ME719352--5.632172.7514467
2-(3-Carboxy-3-aminopropyl)-L-histidine-ME719592--7.854257.12418
2'_3'-CyclicCMP-ME719336--5.997306.04816
2_3-DimethylmaleateDimethyl maleateME719463--5.633150.544995
"2,3-Dimethylquinoxaline"-ME719155--4.566159.091625
"2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazol...-ME718995--2.463295.12206
"2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-(1...-ME718987--2.215316.21155
"2,4,6-triaminotoluene"2,4,6-TriaminotolueneME719218--3.538138.10251
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyran...2,4-Diacetamido-2,4,6-trideoxy-alpha-mannoseME719508--7.163247.12869
"2,4-DIMETHYL-5-VINYLTHIAZOLE"-ME719188--4.806172.07902
2-[4-(tert-butyl)-2-chlorophenoxy]-3-nitropyridine-ME719305--5.686307.08315
2-[(5-chloro-3-pyridyl)oxy]-5-(1H-pyrrol-1-yl)pyri...-ME719342--6.054272.06147
2_5-Dioxopiperazine-ME719219--3.654123.563605
"2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)anil...-ME719464--6.882283.13984
2_6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimid...-ME719035--3.586184.08287
"2,6-Diamino-7-hydroxynonanedioic acid"-ME719442--6.807276.15519
2_6-Diaminoheptanedioicacid2,6-Diaminopimelic acidME719272--4.141191.102505
"2,7,9-Trimethyl-4H-pyrido[3',2':4,5]thieno[3,2-d]...-ME719269--5.355247.05767
2_7-Anhydro-alpha-N-acetylneuraminicacid-ME719562--7.495292.10242
"2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridi...-ME719624--8.284241.12925
2-(7'-methylthio)heptylmalate-ME719600--7.993140.0673
2-(Acetamidomethylene)succinate-ME719572--7.513188.05525
2-Amino-1H-benzimidazole-ME719095--3.928134.07131
"2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic aci...2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acidME719445--6.819233.11304
2-amino-3-({[1-(dimethylamino)-1H-pyrrol-2-yl]meth...-ME718870--0.696162.05486
2-Amino-3-methoxybenzoic acid3-Methoxyanthranilic acidME718974--1.569168.06544
"2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline"-ME719207--4.953277.11153
2-Amino-4-hydroxy-6-hydroxymethyl-7_8-dihydropteri...-ME719113--3.85196.082895
2-Amino-4-methylpyrimidine-ME719534--6.312110.071555
2-Aminoacetophenone;O-Acetylaniline-ME719285--5.523136.0757
2-Aminoacrylate2-Aminoacrylic acidME719422--6.6488.03983
2-Aminophenol2-AminophenolME719273--5.396282.11948
2-coumarate-ME719287--5.529182.08116
2'-Deoxycytosine-ME719300--5.636217.11813
2-(Diethoxymethyl)furan-ME718913--0.817171.10142
"2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine"-ME719420--6.574168.11307
"2-Ethyl-4,5-dimethylthiazole"-ME719184--4.796143.11789
2-Hydroxy-2_4-pentadienoate-ME719548--7.45797.02884
2-Hydroxy2-methylbutyricacid2-Hydroxy-2-methyl-butyric acidME719298--5.628119.07052
"2-Hydroxyamino-3-methyl-3H-imidazo[4,5-f]quinolin...-ME719232--5.118215.09266
"2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol"-ME719361--6.118178.10735
2-Hydroxy-N-(2-hydroxyethyl)propionamide-ME719159--3.658134.081215
2-Hydroxyphenethylamine2-HydroxyphenethylamineME719079--1.729164.09594
2-Hydroxypyridine2-HydroxypyridineME718949--0.95978.03424
2-Isopropyl-6-methoxypyrazine-ME719465--6.89153.10218
2-Mercapto-2-methylpentan-4-one-ME719093--3.899133.0682
2-MercaptoethanolMercaptoethanolME718959--1.04379.02173
"2-Methyl-4,5-dihydro-3-furanthiol"-ME719180--4.781250.09328
2-Methyl-6-oxohepta-2_4-dienal-ME718896--0.767141.09093
2-methylbutyrylcarnitineCAR 4:0;2MeME719118--4.182246.16977
2-Methylcholine2-MethylcholineME719022--3.356118.12284
2-Methylhippuricacid2-Methylhippuric acidME718875--0.706194.08112
2-Methylnicotinamide-ME718902--0.782137.07085
2-Methylserine2-MethylserineME719133--4.332161.09198
2'-N-Acetylparomamine-ME719211--5.004366.18672
2-OxindoleIndolin-2-oneME719091--3.652170.586375
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate-ME718892--0.759183.10153
"2-phenyl-4H-furo[2,3-h]chromen-4-one"-ME719343--6.055263.07355
2-Phenyl-4-pentenal-ME718853--0.659161.09584
2-Phenylethanol2-PhenylethanolME719000--0.758123.080605
2-(Phenylsulfonyl)aniline-ME719245--5.176234.05957
(2R_3S)-2_3-Dimethylmalate-ME719611--6.612238.0828067
(2R_4S)-2_4-Diaminopentanoate-ME719451--6.833115.08685
"(2R,6S)-2,6-Diamino-3-hydroxyheptanedioic acid"-ME719492--7.068207.09746
"(2S)-1,1-Dimethyl-2-piperidiniumcarboxylate"-ME719421--6.584158.11754
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate-ME719230--5.105190.10727
(2S)-2-Amino-8-hydroxyoctanoic acid-ME719376--5.948176.12809
"(2S)-3-(4-Hydroxyphenyl)-2-({[(3S,4S,5R)-2,3,4-tr...-ME719444--6.813344.13375
"(2S)-3-Hydroxy-1,2-propanediyl dibutanoate"-ME719112--4.114233.13953
"(2S,3R)-3-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1,2...-ME719567--7.502248.08748
(2Z)-3-Phenyl-1-(1-pyrrolidinyl)-2-propen-1-one-ME718952--0.971202.12255
"3-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(2-thien...-ME718973--1.519295.09358
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine-ME719439--6.797170.11745
"3-[3-(1,3-dimethyl-1H-pyrazol-4-yl)-1H-1,2,4-tria...-ME719384--6.326245.11304
3-(3_4-Dihydroxypyridin-1-yl)-L-alanine-ME719495--7.088218.1135
3'_4'_5-Trihydroxy-3_6_7-trimethoxyflavone-ME719130--4.325361.09192
3_4-Dimethoxyphenethylamine-ME719044--3.618182.11757
"3,4-Dimethyl-5-pentyl-2-furanpropanoic acid"-ME718931--0.865239.16391
3-[4-(tert-butyl)anilino]-2-(3-thienylcarbonyl)acr...-ME719077--3.788311.11693
"3,5-Dihydroxyphenyl dihydrogen phosphate"-ME719605--8.013207.00525
"3,5-Dimethyl-1-phenylpyrazole"-ME718926--0.846173.10728
"3-[6-(tert-butyl)-1,1-dimethyl-2,3-dihydro-1H-ind...-ME719216--5.02257.07413
3-Amino-2-naphthoic acid-ME719002--0.872188.073865
"3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione"-ME719436--6.737155.08145
3-Amino-6-chloropyridazine-ME719633--8.448130.0169
3-Aminopropane-1-sulfonic acidCerebrilME719293--5.578140.03755
3-BHA-ME718858--0.672181.12213
3-Butyn-1-al3-Butyn-1-alME719286--5.52769.03407
3-Carboxy-1-methylpyridinium;N-Methylnicotinicacid-ME719476--5.927138.054955
3''-Deamino-3''-oxonicotianamine3''-Deamino-3''-oxonicotianamineME719550--7.462303.11841
3-Dehydrocarnitine3-DehydrocarnitineME719194--4.831160.09675
3-Dehydroxycarnitine3-DehydroxycarnitineME718996--2.21146.11747
3-Guanidinopropanoate3-Guanidinopropanoic acidME719494--6.744132.076775
"3-Hydroxy-2,4,5-pyridinetrimethanol"-ME719259--5.246186.07602
3-hydroxy-2-methyl-1H-quinolin-4-one-ME719119--4.186176.07053
3-Hydroxy-2-methyl-4-pyroneMaltolME719644--8.754127.03907
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylam...-ME719313--5.777262.16471
3-Hydroxy-4-methylanthranilate-ME719266--4.983280.6216
3-Hydroxycotinine(3HC)-ME719011--2.001193.097095
3-hydroxyoctanoylcarnitineCAR 8:0;3OHME719122--4.264304.21155
3-Hydroxytetradecanedioic acid3-Hydroxy-tetradecanedioic acidME718937--0.908297.16684
3-(Isothiocyanatomethyl)-1H-indole-ME718886--0.727189.04801
3-Mercapto-3-methylbutan-1-ol-ME718924--0.837121.06833
3-Methoxytyramine3-MethoxytyramineME719029--3.336168.101815
3-Methylcrotonylglycine3-MethylcrotonylglycineME718979--1.774158.0811
3-Methylcyclopentene-ME719021--3.35100.11249
3-MethylglutarylcarnitineCAR DC5:0;3MeME718894--0.76290.15944
3-Methylhistamine3-MethylhistamineME719172--4.701117.58783
3-Methylhistidine3-MethylhistidineME719634--8.318170.092305
"3-Methylpyrrolo[2,1-c][1,2,4]triazine"-ME719041--3.612134.07132
3-Oxotetradecanoic acid3-Oxotetradecanoic acidME718920--0.829243.19523
3-(Pyrazol-1-yl)-L-alanine3-(Pyrazol-1-yl)-L-alanineME719638--6.312156.0767433
(3R)-beta-Leucinebeta-LeucineME719278--4.012132.101944
(3S)-3-(Pentanoyloxy)-4-(trimethylammonio)butanoat...-ME718859--0.674246.16971
(3S)-3-{(Z)-[(3S)-3-{(Z)-[(3R)-3-Amino-1-hydroxy-4...-ME719088--3.85344.25414
3-UreidoisobutyrateUreidoisobutyric acidME719132--4.327147.07637
"4-[4-(Trifluoromethoxy)phenyl]-6,7-dihydrothieno[...-ME719229--5.098298.05205
"4,6-Diamino-5-formamidopyrimidine"FAPy-adenineME719048--3.653154.07226
"4,8-dihydroxy-6,6,8-trimethyl-1H,3H,4H,4aH,5H,6H,...-ME719391--6.404289.13911
4-Acetamido-2-amino-6-nitrotoluene-ME719382--6.315210.08706
4-Acetamidobenzoic acid4-Acetamidobenzoic acidME718909--0.696185.7416633
"(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)met...-ME718905--0.8198.09753
"4-amino-1-(2-furylmethyl)-6-hydroxy-1,2-dihydropy...-ME719636--8.562246.03343
4-Amino-2-pyrazin-2-ylpyrimidine-5-carbonitrile-ME719512--7.187216.09782
4-Amino-5-hydroxymethyl-2-methylpyrimidine4-Amino-5-hydroxymethyl-2-methylpyrimidineME719158--4.372151.58977
4-Aminopyridine4-AminopyridineME719396--6.31495.06065
"(4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-(prop-1-en-...-ME719388--6.353194.62571
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME719110--2.195154.0974
4-Butyloxazole-ME719590--7.798126.09146
4-Coumarylalcohol4-Coumaryl alcoholME719020--3.34151.07529
"4-Cyano-N-[(1R,9S)-11-(2-naphthoyl)-6-oxo-7,11-di...-ME719547--7.45524.6803
"4-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine"-ME719051--3.655167.09269
(4E)-2-Oxohexenoicacid2-Oxo-4E-hexenoic acidME718944--0.937129.05473
4-Fluoro-?-pyrrolidinobutiophenone-ME719377--6.236236.14907
4-Guanidinobutanal4-GuanidinobutanalME719455--6.844130.09759
4-Guanidinobutanamide4-GuanidinobutanamideME719178--4.761145.10834
4-Guanidinobutyric acid4-Guanidinobutanoic acidME719308--5.728146.09233
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME719226--5.084330.14055
4-IndolecarbaldehydeIndole-4-carboxaldehydeME719154--4.565146.05998
4-Methoxyanilinep-AnisidineME719136--4.36124.07582
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME718989--0.808144.0476967
4-Methylene-L-glutamate-ME719502--7.143160.06038
4-Methylene-L-glutamine4-Methylene-glutamineME719389--6.358159.07635
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTA...NNAL-N-oxideME719359--6.101226.11849
"4-(Methylthio)-6-(4-pyridyl)-1,3,5-triazin-2-amin...-ME719383--6.326220.06914
4-methylthiobutanaldoxime4-MethylthiobutanaldoximeME719490--7.054134.06419
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol-ME719143--4.193196.108145
4-Oxo-4-(1H-purin-6-ylamino)butanoic acid-ME719227--5.084236.0776
4-oxo-5-phenylpentanoic acid-ME719517--7.211215.06607
"4-phenyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazi...-ME719221--5.049216.05424
4-phenylsemicarbazide-ME719381--6.313152.08176
(4S)-4-[(11-Carboxyundecanoyl)oxy]-4-(trimethylamm...-ME719114--4.119396.23506
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)bu...CAR 8:1(2)ME719049--3.654286.20101
4-(trifluoromethyl)nicotinic acid-ME719443--6.81192.02419
4-Undecylbenzenesulfonic acid-ME719240--5.167313.18328
4-Vinylpyridine-ME719057--3.664228.14939
"5-({[3-chloro-5-(trifluoromethyl)-2-pyridyl]methy...-ME719410--6.493381.07895
"5-[(4-methoxybenzyl)amino]-2,3-dihydro-1,3,4-thia...-ME719637--8.564276.02285
5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinoline-ME718889--0.731174.05491
"5,6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-on...-ME719349--6.066335.09453
"5,6-Dimethylbenzimidazole"DimethylbenzimidazoleME718939--0.918130.06518
"5,6-diphenyl-2,3-dihydropyrazine"-ME719135--4.352235.11875
"5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-on...-ME718907--0.803244.19052
"5-Allyl-5-sec-butyl-1,3-dimethyl-2,4,6(1H,3H,5H)-...-ME719062--0.705273.667695
"(5alpha,6alpha)-3-Methoxy-17-methyl-4,5-epoxymorp...-ME718854--0.66300.15871
5-amino-1-phenyl-1H-pyrazole-4-carbonitrile-ME718980--1.86185.08211
5-Amino-4-imidazolecarboxylate-ME719128--3.7119.040355
"5-Amino-6-(4-hydroxybutanoyl)-2,2-dimethyl-2,3-di...-ME718882--0.715278.13844
5-Hexyl-2-oxotetrahydro-3-furancarboxylic acid5-Hexyltetrahydro-2-oxo-3-furancarboxylic acidME718923--0.832215.12762
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME718964--0.943192.06535
5-Hydroxykynurenamine-ME719140--4.371181.09696
5-Hydroxymethyl-2-furaldehyde5-Hydroxymethyl-2-furancarboxaldehydeME719544--7.394127.039075
"5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-on...-ME719610--8.043127.03908
5-Hydroxymethyldeoxycytidylate-ME719351--6.081338.07446
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME719480--6.809255.06435
5-Methoxybenzimidazole-ME718936--0.906149.07092
5-Methoxytryptamine5-MethoxytryptamineME719007--2.84182.60452
5-Methylcytosine5-MethylcytosineME719102--3.762126.06631
5-Methyldeoxycytidine5-MethyldeoxycytidineME719069--3.749242.11332
5-Nitro-o-toluidine-ME719418--6.552153.06574
5-phenylpentanol-ME718911--0.81165.1273
5-Phosphonooxy-L-lysine-ME719617--8.118243.07388
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3_4-...-ME719149--4.515292.19186
"(5Z,8Z)-5,8-Tetradecadienoic acid"-ME718910--0.806225.18456
"6,8-di(tert-butyl)-4-oxo-4H-chromene-2-carboxylic...-ME719340--6.05303.15479
6-Acetamido-3-aminohexanoate-ME719185--4.799267.13709
"6-anilino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidi...-ME719038--3.598232.10788
6-Deoxy-3-O-methyl-beta-D-galactopyranose-ME719356--6.095220.11786
"6-Isopropylidene-4,4a-dimethyl-7-oxodecahydro-2-n...-ME718983--2.042337.18188
6-methyl-4-(morpholinomethyl)-2H-chromen-2-one-ME718884--0.722260.12789
6-Methylindole-ME719153--4.565132.08082
6-methyltetrahydropterin6-MethyltetrahydropterinME719005--2.959182.1036
6-Oxo-pipecolinic acid-ME719275--4.325144.065505
"7,8-dihydro-8-oxoguanine"-ME719196--4.839168.05155
"7,8-dihydroxanthopterin"-ME719131--4.326182.06719
7-carboxy-7-deazaguanine-ME718958--0.999195.05116
7-deoxyloganetin-ME718893--0.759213.11191
"7-methyl-3-nitroimidazo[1,2-a]pyridine"-ME719639--8.347185.38591
7-Methylguanine7-MethylguanineME719023--3.363166.07225
7-Methylguanosine7-MethylguanosineME719045--3.62298.11438
(+/-)8(9)-EET8,9-EpETrEME718849--0.655321.242
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME718997--0.93199.118825
"8-Azabicyclo[3.2.1]octane-1,2,4,7-tetrol"-ME719409--6.487176.09163
8-hydroxy-7-methylguanine8-Hydroxy-7-methylguanineME719047--3.647182.06726
8'-Hydroxyabscisate-ME718877--0.708281.13812
8-Hydroxyalanylclavam-ME719529--7.17233.09487
8-Hydroxyhexadecanedioic acid-ME718916--0.825325.19812
8-HydroxyquinolineQuinolin-8-olME718945--0.945146.05992
AcadesineAICARME719039--3.602259.1035
AceclidineAceclidineME719072--0.935170.117465
Acetohydroxamic acidAcetohydroxamic acidME719405--6.44776.03994
AcetylcadaverineN-AcetylcadaverineME719242--4.705156.641565
AcetylcholineAcetylcholineME719265--3.216146.1174633
Acetyl-L-carnitineCAR 2:0ME719345--5.876220.135995
Acetyl-?-methylcholine-ME719192--3.777160.13315
acetyltaurine-ME719150--4.518168.03242
AdenosineAdenosineME719108--2.839268.104045
Adenosine 5'-monophosphateAMPME719514--6.955348.07005
ala-asnAla-AsnME719475--6.955204.09783
ala-metAla-MetME719360--6.101221.09539
AlanyltryptophanAla-TrpME719246--5.178276.13405
Ala-Tyr(Alanyltyrosine)-ME719294--5.587253.11812
AlbendazoleAlbendazoleME719235--5.131266.09552
AlizarinAlizarinME719392--5.494241.04955
AllopurinolAllopurinolME719104--2.998137.045725
Allyl Cyanide-ME719282--5.497109.07633
alonimid-ME718914--0.687264.609835
alpha-D-Galactosyl-1_3-beta-D-galactosyl-1_4-N-ace...-ME719506--7.155568.1845
alpha-D-Xylose1-phosphate-ME719496--7.088231.02633
alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alph...-ME719650--9.169991.33334
alpha-Glutamyl-4-hydroxyproline-ME719456--6.118261.10873
alpha-methylstyrene-ME718999--2.377119.085715
Alphaprodine-ME719169--4.669262.17726
Ambrette musk-ME719348--6.065269.11311
AminoDHQAminoDHQME718977--1.621190.07094
AmmelideAmmelideME719120--4.045137.55402
AmmelineAmmelineME719189--4.817128.05682
AMPAAmpaME719540--7.4187.07127
AniracetamAniracetamME718888--0.731220.09664
Anthranil-ME718864--0.686152.07056
Anthranilic acid2-Aminobenzoic acidME718928--0.856138.05488
Apigenin7-O-beta-D-glucoside-ME719385--6.33455.09602
APM-ME719365--6.12176.09168
ApocyninApocyninME719241--5.168167.06752
apronalide-ME719138--4.362185.12837
Arg-GluArg-GluME719625--8.285304.16117
ArgininosuccinicacidArgininosuccinic acidME719545--7.445291.12962
arg-leuArg-LeuME719468--6.756288.202745
ARG-PHEArg-PheME719435--6.723322.1871
Arg-TrpArg-TrpME719402--6.443361.19783
arg-valArg-ValME719554--7.47274.18706
AS3325000-ME719297--5.114151.594675
asn-asnAsn-AsnME719580--7.66247.10354
asn-thrAsn-ThrME719518--7.215234.10829
asn-valAsn-ValME719129--4.32232.12904
AsparagineAsparagineME719449--6.819124.54763
Asparaginyl-4-hydroxyproline-ME719373--4.953254.621485
Aspartyl-L-prolineAsp-ProME719533--7.165231.097425
asp-glnAsp-GlnME719564--7.395262.103135
Asp-lysAsp-LysME719139--4.363262.13949
asp-thrAsp-ThrME719584--7.693276.11877
Atagabalin-ME719299--5.631203.17536
AzelaicacidAzelaic acidME718918--0.828189.11195
azidamfenicol-ME719017--3.276318.08057
Bemegride-ME718943--0.935188.12806
BenzamidineBenzamidineME719283--5.499138.10248
BenzeneBenzeneME719171--4.779.05473
BenzocaineBenzocaineME719303--5.656144.10185
benzofenapBenzofenapME719630--8.404431.09227
"Benzoyldehydro-2,3-dihydroxy-benzone"-ME718861--0.681232.0966
beta-Alanyl-L-argininebeta-Alanyl-L-arginineME719603--8.01246.15588
beta-Aspartylleucine-ME719337--6.016247.12872
beta-Glycerophosphoricacidsn-Glycero-2-phosphateME719482--7.016173.02094
beta-Iononebeta-IononeME718850--0.655193.1584
Bethanidine-ME718994--2.405178.13376
BiopterinBiopterinME719148--4.505238.09324
BiotinamideBiotin amideME719307--5.697244.11124
Bis(4-ethylbenzylidene)sorbitol-ME718876--0.708306.164145
Bis-D-fructose2'_1:2_1'-dianhydride-ME719555--7.478325.11252
BotrydialBotrydialME718883--0.716311.18492
ButabarbitalButabarbitalME719364--6.12213.12321
butanethiol-ME719250--5.18773.04743
ButenylcarnitineCAR 4:1ME719254--5.215230.13854
Butobarbital-ME719334--5.992196.09677
Butyryl-L-carnitineCAR 4:0ME719175--4.729232.15415
BX9286000-ME719427--6.664310.17581
Cannabidiolicacid-ME718941--0.928359.22123
CapryloylglycineCapryloylglycineME718934--0.897202.1438
capuride-ME719394--5.026187.143995
CarbocysteineS-Carboxymethyl-cysteineME719142--4.382180.03234
Carbofuran-ME718860--0.679222.11231
carglumic acidCarglumic acidME719551--7.282191.06614
CarnosineCarnosineME719604--8.011227.11367
Carnosine(beta-alanyl-L-histidine)-ME719333--5.989227.11372
Catechol;1_2-Dihydroxybenzene-ME718900--0.774111.04431
ChalconeChalconeME719357--6.097231.07721
chavicol-ME718946--0.948135.0804
CholineCholineME719322--4.445104.107325
CholinephosphateCholine phosphateME719651--10.188184.073265
CholinesulfateCholine sulfateME719257--5.221184.0638
Cladinose-ME719198--4.852177.11202
CoformycinCoformycinME719607--8.02285.11907
convicineConvicineME719520--7.228306.09287
CotinineCotinineME719193--4.83194.12878
Coumarone-ME719028--3.33151.07531
CreatineCreatineME719374--6.202132.07672
CreatinineCreatinineME719032--3.495114.06639
Crotono-betaine-ME719010--3.129142.12263
CU5774000-ME718885--0.724153.0909
Cyclohex-2-enoneCyclohex-2-enoneME719310--5.391184.58432
"Cyclohexane-1,2-diaminetetraacetic acid"-ME719521--7.236347.14462
CyclohexylamineCyclohexylamineME719008--3.075100.11249
(cyclohexylmethyl)pyrazine-ME719009--2.316185.651835
CytarabineCytarabineME719177--4.761244.09263
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine-ME719575--7.53244.09247
Cytidine 5'-diphosphocholineCDP-cholineME719646--9.011489.114285
Cytidine 5'-monophosphate (hydrate)CMPME719622--8.251324.05879
CytosineCytosineME719145--3.931112.05082
D-2-Amino-hexano-6-lactam-ME719315--4.891145.11536
D-Ala-D-AlaD-Alanyl-D-AlanineME719222--4.036161.0919833
Dambonitol-ME719263--5.28209.10179
D-ArginineD-ArginineME719647--9.028175.11894
D-(-)-Aspartic acidD-Aspartic acidME719577--7.617134.04479
DD9275000-ME718908--0.625133.076035
DeoxycytidineDeoxycytidineME719210--3.935228.097675
DeoxyguanidinoproclavaminicacidDeoxyamidinoproclavaminic acidME719469--6.923229.1294
D-Erythrose4-phosphateErythrose 4-phosphateME719367--6.125201.01576
DethiobiotinDethiobiotinME719375--6.204215.13888
Dexamisole-ME718874--0.706205.07929
Dezaguanine-ME719167--4.651168.08788
D-glycero-D-manno-Heptose1-phosphate-ME719238--5.16291.04695
di(3-pyridyl) 5-(tert-butyl)isophthalate-ME719082--3.817377.14524
Difenoxurone-ME719304--5.661287.13605
Difloxacin-ME719412--6.502400.14468
DihydrothymineDihydrothymineME719291--4.036129.0659467
"Dimethyl 4-methyl-5-phenyl-1H-pyrrole-2,3-dicarbo...-ME718895--0.764274.10707
Dimethylaminopropionylphenothiazine-ME718879--0.709299.12098
dinotefuranDinotefuranME719326--5.937244.14035
DL-Arginine-6C13-ME719588--7.74181.13887
DL-GlutamineGlutamineME719434--6.644147.07632
DL-Phenylalanine-6C13-ME719170--4.699172.10621
DL-Serine-13C3SerineME719425--6.658109.06026
DL-TryptophanTryptophanME719164--4.628227.0789
D-myo-Inositol1_2-cyclicphosphateInositol cyclic phosphateME719581--7.345243.026305
D-O-Phosphoserine-ME719614--8.106186.01615
D-PhenylalanineD-PhenylalanineME718992--0.683166.086135
D-PipecolicacidD-Pipecolic acidME719277--3.318138.09284
D-ProlineD-ProlineME719372--5.855129.7462567
D-(+)-Pyroglutamic Acid-ME719450--6.642130.04992
D-SerineD-SerineME719423--6.642106.050215
D-(+)-TryptophanD-TryptophanME719156--4.569205.09705
(E)-4-hydroxyphenylacetaldehydeoxime-ME719084--3.827152.07057
E-64E64ME719179--4.773358.20678
EcgonineEcgonineME719260--5.253186.11242
Ecgoninemethylester-ME719236--5.14200.12799
EctoineEctoineME719208--3.791159.094545
EDDA-ME719483--7.028177.08696
Edrophonium-ME719191--4.817230.13859
Efloxate-ME719499--7.117325.10619
Eglumetad-ME719608--8.025186.076
EGTA-ME719174--4.725381.15217
EJ4025000-ME719576--7.54159.14914
Elaeokanine CElaeokanine CME718915--0.82212.16423
(E)-Nifurtimox-ME719531--7.126288.0646
Enrofloxacin-ME719053--3.662360.1714
Epinephrine(OrL-Adrenaline)-ME719018--0.677172.08971
EPK-ME719319--3.665238.13533
epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME719440--6.803276.15518
Ethanal tetramer-ME718940--0.928177.11209
ethyl 2-[(4-methyl-2-oxo-2H-chromen-8-yl)oxy]aceta...-ME719089--3.857263.09595
"ethyl 2-amino-8H-indeno[2,1-b]thiophene-3-carboxy...-ME719165--4.629260.07524
ethyl 4-amino-2-[(3-nitro-2-pyridyl)thio]pyrimidin...-ME719204--4.883322.05452
Ethylcyclopentenolone-ME718904--0.783127.07544
[FAamino(5:0)]2S-amino-pentanoicacid2S-Aminopentanoic acidME719126--0.987118.0864533
[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicaci...-ME719316--5.847198.03727
fagomineFagomineME719324--5.899148.09677
[FAoxo(12:0)]12-oxo-10E-dodecenoicacidTraumatinME718865--0.69213.14834
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid(S)-5-Amino-3-oxohexanoateME719306--5.254137.07594
flavyliumAnthocyaninME719363--6.118208.08867
FlucythrinateFlucythrinateME719578--7.63452.16502
formyl-isoglutamine-ME719197--4.557175.0713
fosfocreatinine-ME719649--9.163194.03265
FructoselysineFructosyllysineME719641--8.701309.16528
Furfural;Furan-2-carbaldehyde-ME719528--6.51597.028834
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME719347--5.638217.118125
gamma-Glutamyl-gamma-aminobutyraye-ME719400--6.44233.11303
gamma-Glutamyl-gamma-glutamylglutamic acid-ME719561--7.494406.14534
gamma-Glutamyl-S-methylcysteine-ME719507--7.156265.08507
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME719461--6.865322.10646
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME719571--6.889218.1498
GDP-alpha-D-mannose-ME719642--8.762606.08394
GeranylpyrophosphateGeranyl diphosphateME719195--4.835315.07543
Ggamma-L-Glutamyl-L-glutamicacid-ME719542--7.428277.10284
Glibornuride-ME718957--0.997367.16487
Glu-alaGlu-AlaME719509--7.166219.09745
glu-aspGlu-AspME719441--5.997274.07815
Glucose 1-phosphateGlucose 1-phosphateME719620--7.709261.03679
Glu-GlyGlu-GlyME719573--7.514205.08191
glu-serGlu-SerME719532--7.223235.09231
GlutarylcarnitineCAR DC5:0ME719369--6.142276.14391
GlutathioneGlutathioneME719549--7.461308.09078
glu-thrGlu-ThrME719543--7.44249.10795
Gly-ArgGly-ArgME719626--8.293232.14024
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME719397--6.435247.05754
Gly-DL-Phe-ME719094--3.632214.102325
Gly-Pro(Glycylproline)-ME719458--6.85173.09208
GMP;5'-GMP;Guanosine5'-monophosphate-ME719616--7.529364.06482
GuanadrelGuanadrel SulfateME719341--6.052214.15484
GuanineGuanineME719329--4.176197.1828122
GuanosineGuanosineME719202--4.937284.09861
GynocardinGynocardinME719116--4.177304.10281
HeliotrineHeliotrineME718990--0.933314.19585
hercynineHercynineME719417--5.63198.12364
HexanoylcarnitineCAR 6:0ME719090--3.859260.18547
HexanoylglycineHexanoylglycineME719284--5.521174.11244
Hexatriyne-ME718863--0.68275.02335
HexylamineHexylamineME719014--3.236102.12806
HistidylglycineHis-GlyME719609--8.042213.09807
HistidylphenylalanineHis-PheME718962--1.101303.14481
HO-dPEG8-OH-ME718955--0.991388.25363
Homoanserine-ME719525--7.063255.14494
HomoarginineHomoarginineME719583--7.689189.1345
Hydantoin-5-propionateHydantoin-5-propionic acidME719535--7.266197.581995
HydroxyhexanoycarnitineCAR 6:0;OHME719264--5.005276.18034
HypotaurineHypotaurineME719366--6.124110.02735
HypoxanthineHypoxanthineME719256--3.655137.04575
ile-hisIle-HisME719428--6.44269.16057
Imagabalin-ME719006--2.046174.148825
ImetitImetitME719454--6.843171.06993
Imidazol-5-yl-pyruvate-ME719491--7.064172.07157
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME719244--4.03131.568695
ImidazoleaceticacidImidazoleacetic acidME719403--6.445127.05033
Iminoerythrose4-phosphate-ME719296--5.623237.98765
Imipenem-ME719330--5.979300.10105
Indane-ME718878--0.709119.08558
InosineInosineME719109--4.08269.08771
Inosinic acidIMPME719503--7.146349.05408
IproniazidIproniazidME719086--3.833180.1131
ISOFENPHOSIsofenphosME719515--7.209368.10626
Isoleucine - 6C13-ME719249--5.184138.12194
IsoniazidIsoniazidME719125--4.28138.06616
Istamycin C1-ME718965--1.001432.27993
Kahweofuran-ME719597--7.974115.08686
Kanosamine-ME718985--1.75180.087865
KJ9800000-ME718856--0.664399.24985
KyotorphinTyr-ArgME719501--7.138338.1819
L-2-Methyltryptophan-ME719043--3.615219.11275
?-LactoseLactoseME719419--6.506360.14963
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-...-ME719598--7.975273.11908
?-Lapachone-ME719276--5.422243.09918
L-(+)-ArginineArginineME719587--7.739166.60562
L-Carnitinamide-ME719467--5.083161.1283925
L(-)-CarnitineCarnitineME719399--6.438162.11232
L-(+)-CitrullineCitrullineME719448--6.825176.10288
L-CystathionineCystathionineME719628--8.336223.07455
lepidine-ME719003--2.84144.08076
L-ErgothioneineErgothioneineME719331--5.984230.09568
Leu-argLeu-ArgME719473--6.939288.20276
Leucinamide-ME719223--5.072172.14435
LeucylasparagineLeu-AsnME719368--6.128246.14458
Leucyl-leucyl-norleucine-ME719056--3.663358.26962
LeucylprolineLeu-ProME719393--5.924229.15457
LeucyltryptophanLeu-TrpME719105--4.035318.18093
leu-glnLeu-GlnME719338--6.03260.16032
leu-hisLeu-HisME719485--7.039269.16056
leu-lysLeu-LysME719593--7.925260.1967
leu-pheLeu-PheME719066--3.729279.1701
Leu-Pro(Leucyl-Proline)-ME719258--5.227229.15454
Leu-ValLeu-ValME719484--7.032231.1702
LevetiracetamLevetiracetamME719317--5.849171.11272
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME719413--6.003261.1443167
L-gamma-Glutamyl-L-valinegamma-GlutamylvalineME719398--6.435247.12871
L-Glutamic acidGlutamic acidME719522--6.819142.38489
L-Glutaminyl-L-prolineGln-ProME719471--6.934244.12905
?-L-Glutamyl-L-glutamic acidGlu-GluME719524--7.257277.10284
L-Glutathione oxidizedGlutathioneME719648--9.066307.08296
L-HistidineHistidineME719632--8.209156.076675
L-HomocitrullineHomocitrullineME719430--6.68401.21404
L-Hypoglycin-ME719206--3.955158.099345
lidamidine-ME719100--3.952221.13957
LinamarinLinamarinME719536--7.391248.11272
L-IndospicineIndospicineME719205--4.95174.12366
Lisofylline-ME719271--3.555281.160615
L-isoglutamine-ME719353--6.085167.07905
L-KynurenineKynurenineME719358--6.101226.11847
L-LysineLysineME719595--7.956147.11273
L-(-)-MethionineMethionineME719270--5.365150.05831
L-MethionineS-oxideMethionine sulfoxideME719453--6.842166.0532
Lobelanine-ME718953--0.971336.19536
Lofepramine-ME719504--7.147419.18813
LoganinLoganinME719459--6.856413.14035
L-Pyroglutamic acidPyroglutamic acidME719586--7.466138.56316
L-SaccharopineSaccharopineME719629--8.336277.13917
L-serine phosphoethanolamine-ME719615--8.11229.05826
L-ThreonineThreonineME719404--6.439120.065715
L-TryptophanamideTryptophanamideME719096--3.929204.11319
L-TyrosineTyrosineME719288--5.531182.08115
L-TyrosinemethylesterMethyl tyrosinateME719335--5.993196.09681
LU3453000-ME719321--5.88285.02885
lycopsamineLycopsamineME718899--0.773300.18023
"LYSINOALANINE, (S,R)-"-ME719631--8.437234.14472
lys-leuLys-LeuME719486--6.906260.196705
Lys-pheLys-PheME719452--6.728294.181035
Lys-ProLys-ProME719623--8.259276.19152
lys-thrLys-ThrME719220--5.044248.16038
LysylvalineLys-ValME719407--5.464246.18102
MacarpineMacarpineME719466--6.891393.11922
MaleamateMaleamateME719591--7.633116.034455
MaleimideMaleimideME719199--3.654106.537275
MaltotetraoseMaltotetraoseME719619--8.141667.22854
Medroxalol-ME718867--0.694373.17543
Melagatran-ME718951--0.97430.2432
MetanephrineL-MetanephrineME719060--3.694198.1124
met-argMet-ArgME719519--7.217306.15917
MethionylleucineMet-LeuME719146--4.362263.14216
MethohexitalMethohexitalME719200--4.921263.13869
"methyl 3,5-ditert-butyl-4-hydroxybenzoate"-ME718903--0.783265.1795
Methyl-3-aminobenzoate-ME719498--7.109152.07056
MethylazoxymethanolMethylazoxymethanolME719426--6.66132.0768
Methylfarnesoate-ME718927--0.782251.20024
Methylimidazoleacetic acidMethylimidazoleacetic acidME719390--6.358141.06579
metominostrobin-ME718866--0.693285.12305
MetronidazoleMetronidazoleME719526--7.057289.108405
met-thrMet-ThrME719075--3.771251.10581
MFCD00020424-ME719061--3.714313.15439
MFCD00025555-ME719378--4.049205.474915
MFCD00037215-ME719472--6.936219.09746
MFCD00153469-ME718919--0.828230.17493
MilrinoneMilrinoneME719239--5.163196.06455
moroxydine-ME719031--3.494172.11917
Myristamide-ME718967--1.385228.23202
"N1-(3-Pyridylmethyl)-3-(3,4-dichlorophenyl)acryla...-ME719124--4.276307.04359
N1-(4-methylidene-3-thia-1-azaspiro[4.5]dec-2-ylid...-ME719429--6.679293.08396
N1-Acetyl-5-methoxykynuramine-ME719262--5.263237.12318
N1-AcetylspermidineN1-AcetylspermidineME719570--7.512188.17567
"N-[2-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)vinyl]...-ME719059--3.69190.6056
"N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-(4-hydroxy-3-m...-ME718868--0.695332.14885
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME719311--3.606204.08661
N-(2-Cyanoethyl)-L-glutaminegamma-Glutamyl-beta-aminopropiononitrileME719462--6.867200.10288
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME719346--3.71229.935414
"N2-neopentyl-5-methyl-1,3,4-thiadiazol-2-amine"-ME718988--2.254186.1025
N2-Succinyl-L-arginineN2-SuccinoylarginineME719538--7.398275.13466
N3-(2-morpholinophenyl)-2-oxo-2H-chromene-3-carbox...-ME719182--4.785351.13092
"N3,N4-Dimethyl-L-arginine"-ME719553--7.468203.15018
N5-Ethyl-L-glutamineN(5)-Ethyl-glutamineME719201--3.789175.1077067
N^5^-formyl-N^5^-hydroxy-L-ornithine-ME719516--7.028177.08696
N5-Hydroxy-L-ornithine-ME719332--5.986171.07394
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME719215--3.914216.10913
N6-(5-Oxo-D-isoleucyl)-L-lysine-ME719073--3.763274.17588
N-(6-Aminohexanoyl)-6-aminohexanoate-ME719328--4.103245.185825
"N(6),N(6)-Dimethyladenine"-ME719036--3.589164.09307
"N6,N6-Dimethyllysine"N(6),N(6)-Dimethyl-lysineME719612--8.071175.14405
"N6,N6,N6-Trimethyl-L-lysine"N-6-TrimethyllysineME719640--8.616189.15966
NAB-ME719092--3.878192.11302
N-Acetyl-beta-D-glucosaminylamineN-Acetyl-beta-glucosaminylamineME719446--6.82221.11306
N-Acetyl-D-galactosamineN-Acetyl-D-galactosamineME719261--5.259244.07901
N-Acetyl-D-quinovosamine-ME719395--6.431247.12865
N-AcetylglutamineN-AcetylglutamineME719505--7.066248.607085
N-AcetylhistamineN-AcetylhistamineME719137--4.361154.09737
N-Acetyl-L-citrullineN-AcetylcitrullineME719493--7.087218.11344
N-Acetyl-L-glutamate5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME719414--6.52191.1025
N-Acetyl-L-histidineN-AcetylhistidineME719431--6.313198.087175
N-Acetyl-L-methionineN-AcetylmethionineME718984--2.046192.06878
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME718872--0.696208.09663
N-Acetylneuraminic acidN-Acetylneuraminic acidME719594--7.615317.4402267
N-AcetylornithineN-AcetylornithineME719415--6.438175.10767
N(alpha)-Benzyloxycarbonyl-L-leucineN-Benzyloxycarbonyl-L-leucineME719115--4.14266.13841
N-Amidino-L-aspartateGuanidinosuccinic acidME719559--7.492176.06653
Naphthalen-2-amine2-AminonaphthaleneME719152--4.564144.08076
N-Butyryl-L-homoserinelactoneN-Butyryl-L-homoserine lactoneME719016--0.921172.09669
NeopterinNeopterinME719228--5.09276.0701
NeuraminicacidNeuraminic acidME719209--4.974268.10386
N-glycoloyl-D-mannosaminolactone-ME719034--3.576236.07762
n-Hexanamide-ME719078--3.391116.1072167
Nicotianamine(R,S,S)-NicotianamineME719546--7.45304.14998
NicotinamideNiacinamideME719015--0.96123.05539
Nicotinamide adenine dinucleotide (NAD+)NADME719596--7.973664.11601
Nipradilol-ME719013--3.216327.15596
Nitrosoheptamethyleneimine-ME719106--4.052143.11788
N-Methylhistamine1-MethylhistamineME719379--6.157120.4272367
N-Methylphenylethanolamine-ME718986--2.166152.10689
N-MethylpyridiniumN-MethylpyridiniumME719071--3.762228.1494
N-Methylpyrrolidone-ME719247--5.18117.10245
"N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-ox...-ME719070--3.751216.17054
"N,N-Dihydroxy-L-valine"-ME719225--5.082299.14607
"N,N-dimethyl-9H-purin-6-amine"-ME719101--3.955164.09302
"N,N-Dimethyl-N-phenylurea"-ME719074--3.766165.1022
N-NITROSOMETHYLVINYLAMINE-ME719292--5.575214.12969
NNN-ME719068--3.746178.09747
Norepinephrine(Noradrenaline)Xi-NorepinephrineME719233--5.119170.08106
norhaman-ME718971--1.491169.07593
NP-003469-ME719569--7.51297.03435
NP-008563-ME718906--0.802267.19511
NP-008993-ME718925--0.838297.24211
NP-012972-ME718891--0.758241.1796
NP-015114-ME719416--6.531262.12824
NP-015145-ME719344--6.056250.07964
NP-020240-ME719355--6.089259.128695
NP-020418-ME718917--0.828207.17416
NP-021844-ME719362--6.118271.15106
N-Phenylacetyl pyroglutamic acid-ME718881--0.712278.13843
N-Propionylmethionine-ME719574--7.515206.08521
n-RibosylhistidineN-RibosylhistidineME719552--7.467288.11876
N-RibosylnicotinamideNicotinamide ribosideME719309--5.538255.09736
N-Tridecanoylglycine-ME718890--0.754272.22157
O-heptanoylcarnitine-ME719083--3.723274.20094
ON1225000-ME718935--0.9173.0808
Onapristone-ME719252--5.19450.29811
O-propenoyl-D-carnitine-ME719327--5.95248.1491
OrnithineOrnithineME719601--8.002116.07085
OrthophosphatePhosphoric acidME719585--7.72998.98459
Ovothiol A-ME719511--6.908202.064345
Oxibendazole-ME718851--0.658250.11804
PantetheinePantetheineME718947--0.951279.13695
Pantothenicacid(VitaminB5)Pantothenic acidME719121--2.392220.117795
PEG-4-ME718950--0.967195.12258
PEG n10-ME718968--1.014476.30608
PEG n11-ME718972--1.028520.332265
PEG n12-ME718975--1.036564.35847
PEG n13-ME718961--1.078608.38459
PEG n6-ME718963--0.975288.85032
PEG n7-ME718954--0.983344.22754
phe-glnPhe-GlnME719437--6.749294.14455
PhenacetinPhenacetinME719058--3.668148.07561
Phenazone-ME719067--3.74189.10215
Pheneturide-ME719063--3.659207.112725
PhenylacetaldehydePhenylacetaldehydeME719046--3.627121.06496
Phloionolic acidPhloionolic acidME718930--0.858333.26309
PhosphonoacetaldehydePhosphonoacetaldehydeME719530--7.323124.99965
PilocarpinePilocarpineME719144--3.945217.641595
PiperidinePiperidineME719076--3.774118.12285
Piperonylonitrile-ME718869--0.696148.03922
PirbuterolPirbuterolME719406--6.03241.15447
PirimicarbPirimicarbME719281--5.487239.14989
PKF118-310-ME719040--3.608194.06721
PLK-ME719635--8.562179.12835
Precocene IIPrecocene IIME718942--0.93221.11706
Primidolol-ME719255--5.215334.17573
prinoxodan-ME719024--3.408259.11875
procainamideProcainamideME719290--5.537274.13136
ProclavaminicacidProclavaminic acidME719212--5.016203.1025
Prolinamide-ME719280--5.477155.0998
PropionylcarnitineCAR 3:0ME719268--5.335218.13858
PropofolPropofolME719186--4.804179.143
Pro-ProPro-ProME719432--6.706213.12323
PseudouridinePseudouridineME719537--7.391262.10308
PutrescinePutrescineME719579--7.65972.081465
PV8-ME719618--8.121260.196655
PyridinolinePyridinolineME719556--7.482429.19774
PyridoxalPyridoxalME719539--7.399398.12894
PyridoxaminePyridoxamineME719500--7.133169.09709
PyrimidinePyrimidineME718998--1.21122.07136
PyrrolePyrroleME719386--6.11109.07624
QueuineQueuineME719314--5.68278.12455
"quinoxaline-2,3-dithiol"-ME719489--7.047195.0029
(R)-3-Amino-2-methylpropanoate-ME719318--5.852104.07096
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME719026--0.891248.14904
(+)-RetronecineRetronecineME719274--5.402138.0913
RilmenidineRilmenidineME719027--3.438181.13344
RishitinRishitinME718922--0.832223.16902
(R)-N-Methylcoclaurine-ME718855--0.664300.15886
Ro 20-1724-ME719107--4.072279.17006
robustineRobustineME718873--0.703248.0915
(S)-2-Acetolactate(S)-2-AcetolactateME719289--5.533133.04953
S-(2-Methylbutanoyl)-dihydrolipoamide-ME719190--4.817292.14011
(S)-4-Amino-5-oxopentanoate-ME719474--6.44218.107815
(S)-4-Hydroxymandelonitrile4-HydroxymandelonitrileME718960--0.689160.73029
S-Acetylthioethanolamine-ME719231--5.109198.06204
S-AdenosylhomocysteineS-AdenosylhomocysteineME719424--6.652385.1285
S-AdenosylmethionineS-AdenosylmethionineME719643--8.773399.144215
SalsolinolSalsolinolME718978--1.714180.10179
S-Aminoethyl-L-cysteine-ME719354--6.089187.05116
(S)-CarnitineCarnitineME719323--5.658203.138985
Secnidazole-ME719477--6.998186.08729
SecogaliosideSecogaliosideME719111--4.109421.13393
Selsun-ME719279--5.322112.895985
SepiapterinSepiapterinME719037--3.595238.09326
ser-argSer-ArgME719627--8.301262.15074
ser-glnSer-GlnME719433--6234.108275
SerotoninSerotoninME719052--3.655177.1022
Ser-SerSer-SerME719541--7.404193.08188
"[Similar to: 2-[(4-chlorophenyl)sulfonyl]-N,N-dim...-ME718966--1.382300.20137
"[Similar to: 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)...-ME719163--4.626243.18273
[Similar to: 4-(acetylamino)phenyl 3-chlorobenzoat...-ME718938--0.916301.2007
[Similar to: (4-benzoylpiperidino)[4-(tert-butyl)p...-ME718976--1.608388.2536
"[Similar to: (4S,6S)-1-Allyl-6-isobutyl-N-[3-(2-o...-ME719183--4.793143.11786
"[Similar to: 6-formyl-10-(hydroxymethyl)-3-methyl...-ME719151--4.55243.18276
[Similar to: Adenosine 5'-monophosphate; ?Mass: -1...-ME719481--7.01349.17152
[Similar to: ARH; ?Mass: -137.0848 Da]-ME719599--7.975491.25301
[Similar to: DL-Dipalmitoylphosphatidylcholine; ?M...-ME719161--4.596433.78106
[Similar to: DL-Dipalmitoylphosphatidylcholine; ?M...-ME719160--4.592290.18887
[Similar to: Hexanoylcarnitine; ?Mass: -38.1236 Da...-ME719080--3.791222.06206
[Similar to: N-Acetylneuraminic acid; ?Mass: 21.99...-ME719566--7.499332.10848
[Similar to: N-Acetylneuraminic acid; ?Mass: 22.03...-ME719557--7.483332.14492
[Similar to: NP-007994; ?Mass: -40.9675 Da]-ME719123--4.269172.14436
[Similar to: PEG n10; ?Mass: -44.0267 Da]-ME718956--0.997432.27989
[Similar to: PEG n7; ?Mass: 17.0262 Da]-ME718970--1.491344.22756
S-Methyl-L-Cysteine-S-oxideS-Methylcysteine S-oxideME719203--4.938152.03803
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME719560--7.137258.1098933
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME719460--6.861216.06307
S-OXY CYSTEINE-ME719162--4.625138.02189
Spermic acid-ME719055--3.663233.14943
spinacine-ME719558--7.49335.14578
StachydrineStachydrineME719488--5.09157.9528367
Subaphyllin-ME719147--4.505265.15443
SulcatoneSulcatoneME718921--0.832127.11182
SumatriptanSumatriptanME719081--3.799296.14238
TaurineTaurineME719251--4.526126.022055
TauropineTauropineME719157--4.576198.043
TetrahydropteridineTetrahydropteridineME719097--3.93154.10867
Tetramethylene sulfoxide-ME718929--0.858105.03722
tetridamine-ME719234--5.128166.13377
ThiamineThiamineME719267--5.312265.11143
thr-argThr-ArgME719613--8.076276.1664
ThreonineThreonineME719033--3.368120.065705
ThreonylglutamineThr-GlnME719478--6.835239.610685
ThreonylserineThr-SerME719217--5.028207.09746
THTA2-Tetrahydrothiopheneacetic acidME718991--2.376164.07385
TiglylcarnitineCAR 4:1;2MeME719001--0.933244.15417
tolfamide-ME718981--1.939214.07318
Tolperisone-ME719621--8.238184.887715
tranexamic acidTranexamic acidME719350--5.433158.11753
trans-3-Indoleacrylic acid-ME719166--4.564185.59163
(-)-trans-Carveoltrans-CarveolME718862--0.681153.1274
TrigonellineTrigonellineME719168--4.656138.0549
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME719325--5.909122.0813
Troxacitabine-ME719339--6.037214.08208
UDP-D-galacturonate-ME719645--8.966603.02305
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME719606--8.018608.08839
UF7990000-ME719187--4.805179.03721
"Uracil - C13,N15"-ME718969--1.484116.03221
Urocanic acidUrocanic acidME718993--2.376139.05012
US4550000-ME719042--0.912138.066165
UV9702000-ME719237--5.153197.13963
Valerophenone;1-phenylpentan-1-one-ME718898--0.772163.11171
Val-lysVal-LysME719589--7.786246.18104
Val-MetVal-MetME719243--5.077249.12659
valpromide-ME719030--3.487144.13824
ValylglutamineVal-GlnME719408--6.477246.14466
Vinylbital-ME718871--0.696208.09668
Voglibose-ME719479--7.001268.14022
WS1228A-ME719224--5.073208.14434
XanthineXanthineME719127--3.404158.7946725
XanthopterinXanthopterinME719103--3.653180.051475
XanthosineXanthosineME719087--3.84285.08275
XJ5104000-ME718912--0.813126.03729
ZalcitabineZalcitabineME719387--6.143212.102775
ZearalenoneZearalenoneME719214--5.019319.15388
"(Z)-N-(6-Amino-2-{(Z)-[(2,3-dihydroxyphenyl)(hydr...-ME719301--5.649370.1623
ZonisamideZonisamideME718848--0.627235.01467
(Z)-thiofanox-ME719497--7.09219.11676
β-D-Ribofuranosylcreatine-ME719438--6.664264.118805
γ-Glu-Glygamma-GlutamylglycineME719510--7.173205.08189


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10_16-Dihydroxyhexadecanoicacid-ME719753--5.546287.22338
10-hydroxydecanoicacid10-Hydroxydecanoic acidME719752--0.858187.13363
(10S)-Juvenile hormone III diol-ME719707--0.797283.192
"1,2,3,4-Tetrahydro-β-carboline-3-carboxylic ac...-ME719874--4.374215.0826
1_2_3_5-Tetrahydroxybenzene-ME719774--1.509141.01852
12-Hydroxydodecanoicacid12-Hydroxy lauric acidME719743--0.806215.16521
"1-(3,4-Dimethoxyphenyl)-3,5-decanediyl diacetate"-ME719778--6.415393.22923
1_3_5-trimethoxybenzene-ME719714--6.433167.070795
"1,3,7-Trimethyluric acid"1,3,7-Trimethyluric acidME719950--0.907209.06655
1_3_7-Trimethyluricacid-ME719959--4.377269.088415
"14,18-Dihydroxy-12-oxo-9,13,15-octadecatrienoic a...-ME719748--8.121323.18708
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone-ME719706--6.054219.10265
"1,5-Diphenylcarbazide"-ME719772--5.046241.10843
1_6_6-Trimethyl-2_7-dioxabicyclo[3.2.2]nonan-3-one-ME719744--6.182183.10229
"1,7-Dihydroxy-3-methoxy-2-prenylxanthone"-ME719889--4.534325.10827
1-Amino-1-deoxy-scyllo-inositol-ME719798--2.115178.07163
1-aminobutylphosphonic acid-ME719856--4.906152.04811
1D-chiro-inositol1D-chiro-InositolME719993--0.775191.060022
1-Deoxy-D-altro-heptulose7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME720068--7.402303.049335
1-Deoxy-L-mannitol-ME719812--6.507165.07623
1-deoxynojirimycin-ME719793--1.62162.07653
1-Methyladenine1-MethyladenineME719877--7.569148.06215
1-Methylguanine1-MethylguanineME719818--5.001164.05717
1-Methylhistidine1-MethylhistidineME719995--3.678168.0773
(1R_2S)-1-Hydroxypropane-1_2_3-tricarboxylate-ME719944--4.95191.01941
"(1R,5S,6R,7R,9S,11S,12S,13S,14S)-3-Amino-14-methy...-ME720036----
"(1S,2R,3S,4S,6R,7R,8R,14S)-3-Hydroxy-2,4,7,14-tet...-ME719771--4.681-
"(1'S,2'S)-3',11'-dihydroxy-1',2',5'-trimethyl-8'-...-ME719660--4.687279.126065
(1S_4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate-ME719700--5.571157.04998
2-(2-Acetoxy-2-oxoethyl)-2-hydroxysuccinic acid-ME719738--3.445233.0305
2_2'-Iminodipropanoate-ME719976--0.95160.0608833
"2,3,4,5-Tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihy...-ME719904--4.612399.07295
"2,3-Dinor-6-keto-PGF1?"-ME719759--0.697341.19766
2_4_6/3_5-Pentahydroxycyclohexanone-ME719791--7.211177.04
2-(4-Hydroxyphenyl)ethanol(Tyrosol)TyrosolME719687--0.847137.06
"2,4-OCTADIENAL"(E,E)-2,4-OctadienalME719678--0.906183.1023
"2,5-Dimethyl-4-ethoxy-3(2H)-furanone"-ME719690--5.254155.07072
2_6-Diaminoheptanedioicacid2,6-Diaminopimelic acidME720019--4.487189.087765
2-(acetylamino)-4-(methylthio)butanoic acid-ME719835--4.652190.05403
2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphateME720078--7.087333.06004
2-Amino-4-hydroxy-6-(D-erythro-1_2_3-trihydroxypro...7,8-DihydroneopterinME720011--5.522254.08854
2-Amino-4-hydroxy-6-hydroxymethyl-7_8-dihydropteri...-ME719843--3.739194.06811
2-Amino-4-oxo-6-(1'-2'-dioxoprolyl)-7-8-dihydroxyp...-ME719939--4.652248.04286
2-Aminomuconate2-Aminomuconic acidME720018--6.596156.02955
2-Aminomuconatesemialdehyde-ME720012--5.821200.0562
2-Carboxy-cis_cis-muconate-ME719775--7.339185.00871
2-(Carboxymethyl)-5-hydroxy-4-[(2E)-4-hydroxy-3-me...-ME719912--6.991457.1331
2-coumarate-ME719767--6.849163.03947
2-Dehydro-D-gluconate2-Dehydro-D-gluconic acidME720029--6.627223.045975
2'-Deoxyguanosine 5'-monophosphate (dGMP)dGMPME720075--8.362346.05653
2'-DeoxyinosineDeoxyinosineME719815--3.107251.079
"2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine"-ME719997--0.86166.09802
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(4-oxobutyl)a...-ME719676--4.051262.10899
2-Ethylhexyl sulfate-ME719657--5.022209.08518
2-Formylglutarate-ME719795--0.724159.02926
2-Hydroxy-3-(4-hydroxyphenyl)propenoate-ME719757--0.862179.03457
"2-(Hydroxyamino)-1-methyl-6-phenylimidazo[4,5-b]p...-ME719705--6.706239.09275
2-Hydroxyhepta-2_4-dienedioate-ME719781---153.01858
2-Isocapryloyl-3R-hydroxymethyl-gamma-butyrolacton...-ME719741--6.365241.14481
2-methoxyacetaminophen sulfate2-Methoxyacetaminophen sulfateME719654--6.661260.02396
2-Methyl-6-oxohepta-2_4-dienal-ME719695--0.747139.07566
2-Naphthalenesulfonic acid-ME719681--6.505207.01196
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate-ME719691--0.721181.0866
2-Oxosuccinamate2-Oxosuccinamic acidME719932--0.797190.03541
2-PhosphoglycolatePhosphoglycolic acidME720098--0.719154.97444
(2R_3S)-2_3-Dimethylmalate-ME720037--0.935161.044925
(2S)-2-[(1-Carboxyethyl)amino]-4-(dimethylsulfonio...-ME719761--4.571234.08069
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate-ME719834--3.505188.09249
(2S)-2-Isopropyl-3-oxosuccinate2-Isopropyl-3-oxosuccinateME719867--2.303173.04506
"(2S,3R)-3-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1,2...-ME720103--7.918246.0735
"(2S)-4-(Methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-tri...-ME719979--3.472310.09736
2-Sulfosuccinic acid-ME720087--7.531196.97588
"(2Z)-3-(3,4,5-Trimethoxyphenyl)-2-propen-1-yl ace...-ME719728--5.535265.10875
"3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofura...-ME720070--4.157362.114845
"3-(2-hydroxyethyl)-1,2,3,4-tetrahydrothieno[3,2-d...-ME719724--0.739211.01818
3-(2-Hydroxyphenyl)propanoate3-(2-Hydroxyphenyl)propanoic acidME719694--0.752165.05513
"3,5,5-Trimethyl-2-cyclopenten-1-one"-ME719755--5.106123.0806
"3,8-Dimethyl-7-decen-1-yl dihydrogen phosphate"-ME719852--3.949263.1407
3-Amino-3-(4-hydroxyphenyl)propanoatebeta-TyrosineME719742--3.762180.06619
3-Dehydroxycarnitine3-DehydroxycarnitineME720082--1.081204.12402
3-Hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]pr...-ME720088--7.204266.95868
3-hydroxy-2-methyl-1H-quinolin-4-one-ME719686--0.802234.07732
3-Hydroxy-4-methylanthranilate-ME719787--0.686272.583015
3'-hydroxyacetophenone;3-ACETYLPHENOL-ME719683--0.726135.0443
3''-hydroxy-geranylhydroquinone-ME719661--6.579261.15016
3-Hydroxynonanoic acid-ME719758--0.863173.11782
3-Hydroxytetradecanedioic acid3-Hydroxy-tetradecanedioic acidME719776--0.913273.17139
3-Methoxy-4-hydroxyphenylethyleneglycolVanylglycolME719704--0.916183.06589
"(3-Methyl-3H-imidazo[4,5-f]quinolin-2-yl)azanyl a...-ME719799--0.871255.088535
3-Methylcrotonylglycine3-MethylcrotonylglycineME719971--5.056156.06591
3-Methyldioxyindole3-MethyldioxyindoleME719764--1.929222.07721
3-Methylhistidine3-MethylhistidineME720118--9.11168.07732
3-Methyl-quinolin-2-ol-ME719685--4.378158.06049
3-(Methylsulfinyl)alanin-ME719854--0.897150.02288
3-Oxododecanoicacid3-Oxododecanoic acidME719721--1.191213.14954
3-(Pyrazol-1-yl)-L-alanine3-(Pyrazol-1-yl)-L-alanineME719985--6.101154.06151
3-Pyridylacetic acid3-Pyridylacetic acidME719796--0.76136.0395
3-Sulfinoalanine;Cysteinesulfinicacid-ME719865--6.066152.00161
3'-UMP3'-UMPME720065--4.179323.02928
4-[2-Amino-3-(beta-D-glucopyranosyloxy)phenyl]-4-o...-ME719729--3.444370.11516
4-Acetamido-2-amino-6-nitrotoluene-ME719977--6.908208.07265
4-Acetamidobenzoic acid4-Acetamidobenzoic acidME719804--2.587178.05051
"4-Amino-7-(alpha-D-ribofuranosyl)-7H-pyrrolo[2,3-...-ME719991--4.759290.08875
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME719986--3.26152.08222
4-carboxy-2-hydroxy-cis_cis-muconate-ME719780--0.696201.00392
4-chloro-1H-indazol-3-amine-ME719844--0.919166.01735
4-Coumarylalcohol4-Coumaryl alcoholME719746--3.124149.0601
4-(Heptyloxy)benzoic acid-ME719675--6.232235.13413
4-Hydroxy-3-methoxyphenylglycolsulfate;MHPG-sulfat...-ME719733--0.808263.02367
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME719887--0.826155.04556
4-methylthioanisole-ME719797--4.058137.04292
4-Nitroacetophenone4-NitroacetophenoneME719817---164.03474
4-Nitrocatechol sulfate-ME719802--2.347242.978055
4-O-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-be...-ME720059--6.021396.1156
4-O-(beta-L-Araf)-cis-L-Hyp-ME719871--1.907262.09385
4-Oxo-4-(1H-purin-6-ylamino)butanoic acid-ME719848--7.756234.0621
4-Oxoproline4-Oxo-prolineME720000--7.848128.034415
4-Pyridoxic acid4-Pyridoxic acidME719927--0.697182.04886
5-(3-chloro-4-methylanilino)-1-methyl-1H-pyrazol-3...-ME719807--3.728236.06
"5,6,7,8-tetrahydropterin-6-carboxylic acid"-ME719926--4.932210.06315
"5-Amino-6-(4-hydroxybutanoyl)-2,2-dimethyl-2,3-di...-ME719664--0.828276.12466
5-Aminovaleric acid5-Aminopentanoic acidME719968--8.136116.07074
5-hydroxy-2_4-dioxopentanoate-ME719974--0.79156.5149925
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME719821--0.829190.05065
5-Phosphonooxy-L-lysine-ME720110--6.885241.05978
6-Acetamido-3-aminohexanoate-ME720022--0.742187.10847
6-Acetyl-D-glucose6-AcetylglucoseME720005--3.287221.06667
(+/-)-6-Hydroxy-3-oxo-alpha-ionone(6S)-DehydrovomifoliolME719665--3.375221.11833
"6-nitro-1,3-dihydroisobenzofuran-1-one"-ME719837--3.321178.01743
6-Pyruvoyltetrahydropterin-ME719825--7.016236.07913
"7,8-dihydro-8-oxoguanine"-ME719907--7.822166.03649
"7,8-dihydro-D-neopterin 2',3'-cyclic phosphate"-ME720061--7.15376.06596
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME719935--5.378300.10707
8-DEMETHYL MEIQX-ME719988--6.476198.07916
"8-Hydroxy-5,6-octadienoic acid"-ME719751--0.812155.07071
8-hydroxy-7-methylguanine8-Hydroxy-7-methylguanineME719847--0.859180.052275
8-Hydroxyhexadecanedioic acid-ME719765--0.889301.20257
9_12-Dioxododecanoicacid9,12-Dioxo-dodecanoic acidME719777--6.39227.12898
"9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic a...9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acidME719702--3.536219.10271
(9Z)-(13S)-12_13-Epoxyoctadeca-9_11-dienoicacid-ME719697--7.259293.21299
AcamprosateAcamprosateME719891--4.541180.03322
Acetyl-L-carnitineCAR 2:0ME719814--8.308202.10831
Acrylic acidAcrylic acidME719801--4.10671.01262
AdenineAdenineME719803--2.372134.0463
AdenosineAdenosineME719826--6.638284.078475
Adipic acidAdipic acidME719703--7.08899.04407
afegostat-ME720045--2.841146.08153
Ala-Pro(Alanyl-Proline)Ala-ProME720042--6.867245.11467
Ala-Tyr(Alanyltyrosine)-ME719925--4.931251.10415
AllopurinolAllopurinolME719808--5.553135.03025
alpha-Asp-ala-ME720094--3.293203.06717
alpha-L-Arabinose-ME719899--7.092149.044835
alpha-L-Glucopyranosyl-(1-4)-alpha-L-glucopyranosy...-ME720120--9.622737.23799
alpha-Ribazolealpha-RibazoleME719819--3.228277.11995
alpha-Santoninalpha-SantoninME719668--4.889245.1186
?-Aminobutyric acid (GABA)gamma-Aminobutyric acidME720055--0.85102.05497
AminoDHQAminoDHQME719951--0.91188.056115
AniracetamAniracetamME719682--1.874218.08216
anticapsin-ME719684--0.727180.06624
APM-ME720069--4.444174.07669
Arenediol-ME719701--0.759111.04416
Ascorbicacid-2-sulfate-ME720009--6.447254.98211
asp-glnAsp-GlnME720099--4.044260.08936
Asp-lysAsp-LysME719888--4.523296.10258
Azanidazole-ME720008--5.556245.07823
azidamfenicol-ME719820--0.864294.08506
Benzoic acidBenzoic acidME719717--7.499139.03928
beta-Aspartylaspartic acid-ME720109--8.197247.05757
beta-Aspartylserine-ME720101--3.215219.06227
beta-Glycerophosphoricacidsn-Glycero-2-phosphateME720013--4.029194.00893
BiopterinBiopterinME719876--4.641236.07907
(+)-Bornane-2_5-dioneBornane-2,5-dioneME719712--3.809165.09153
Brassylic acidTridecanedioic acidME719736--0.812243.16047
butoctamide-ME719838--3.655314.19802
ButylparabenButylparabenME719731--7.212193.08675
Candimine-ME719756--5.787344.1147
carglumic acidCarglumic acidME720102--0.691189.05141
carzenide-ME719655--0.562260.0239
Citicoline;cytidine5'diphosphocholine-ME720108--7.254547.12255
clazolam-ME719957--0.773311.09497
ConiferylalcoholConiferyl alcoholME719718--3.437179.07097
Corrinoid-ME719725--0.759305.17655
CreatineCreatineME719989--6.64130.06124
CuauhtemoneCuauhtemoneME719722--5.021251.1657
CuminaldehydeCuminaldehydeME719670--6.106207.10251
Cyclopenol-ME719958--4.618309.08814
CystathionineCystathionineME720116--8.484221.06018
CytarabineCytarabineME719900--0.766242.07848
DA9185000-ME719975--0.55201.03786
D-Ala-D-AlaD-Alanyl-D-AlanineME720027--4.605159.07688
Dambonitol-ME719896--5.081253.09334
D-ApiitolApiitolME719800--3.946135.06545
D-ArabitolArabitolME719850--7.249151.0604933
D-ArginineD-ArginineME720112--0.729173.10391
Decyl beta-D-threo-hexopyranoside-ME719806--2.833319.21319
DeoxycytidineDeoxycytidineME719970--6.408226.08342
Deoxypodophyllotoxin-ME719822--3.251397.12749
D-Erythrose4-phosphateErythrose 4-phosphateME720028--0.572199.00108
Desmethyl Lacosamide-ME719916--4.858235.10899
Dexamisole-ME719663--0.883203.06462
D-(-)-FructoseFructoseME719947--8.363179.055665
?-D-Fructose 6-phosphateFructose 6-phosphateME720095--0.741259.02286
D-GlutamateD-Glutamic acidME719773--4.798184.00099
D-(-)-GlutamineD-GlutamineME720021--6.516145.06103
D-glycero-D-manno-Heptose1-phosphate-ME720096--0.725289.0337
D-Iditol-ME719956--5.459181.07135
Dihydrouridine5,6-DihydrouridineME719811--0.719245.07825
Dimethylaminopropionylphenothiazine-ME719662--6.36297.10733
Dinoseb2-(1-Methylpropyl)-4,6-dinitrophenolME719653--0.558239.0676
DL-Arginine-6C13-ME720111--5.363179.12406
DL-Lactic Acid-ME719955--7.56889.02324
DL-?-LeucineLeucineME719919--4.885130.08641
DL-Malic acidMalic acidME719945--5.524133.01406
DL-Phenylalanine-6C13-ME719905--0.757170.09119
D-(+)-MaltoseMaltoseME720034--4.595341.109625
D-MethionineD-MethionineME719953--8.023148.04304
D-myo-Inositol1_2-cyclicphosphateInositol cyclic phosphateME720047--0.739241.01211
DodecanedioicacidDodecanedioic acidME719763--0.697229.14463
Dodecyl sulfateBlasticidin SME719656--0.759265.14826
D-Ribulose 5-phosphateRibulose 5-phosphateME720063--7.169229.01199
D-(+)-TryptophanD-TryptophanME719883--5.025203.08238
D-Xylulose 5-phosphateXylulose 5-phosphateME720081--0.804209.0047633
"(E)-3,4,5-Trimethoxycinnamic acid"-ME719805--6.128237.07668
EDDA-ME720046--5.853175.071975
EmedastineEmedastineME719788--6.089301.20257
Enprofylline-ME719833--1.891253.09327
epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME719901--4.033320.14527
ErythritolErythritolME719827--3.75181.07135
Ethyl acetateEthyl acetateME719964--6.79201.03783
Ethylmalonic acidEthylmalonic acidME719962--0.813131.03402
ETHYL PROPYL DISULFIDE-ME719859--4.935135.03011
Eugenol;4-Allylguaiacol-ME719674--0.807163.07584
(+)-exo-5-Hydroxycamphor-ME719715--0.802167.10722
[FA(18:0)]12R_13S-epoxy-9Z-octadecenoicacid-ME719672--4.985277.21792
[FA(18:1)]9Z-Octadecen-12-ynoicacid-ME719671--0.714277.21789
[FA(18:3)]13S-hydroperoxy-9Z_11E_14Z-octadecatrien...13S-HpOTrEME719719--0.911309.20786
[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicaci...-ME720017--0.76174.04018
[FAhydroxy(4:0)]N-(3S-hydroxy-butanoyl)-homoserine...-ME719842--4.464186.07682
[FAhydroxy_oxo(7:0/2:0)]4-hydroxy-2-oxo-Heptanedio...4-Hydroxy-2-oxo-heptanedioic acidME719973--5.094189.040115
(+)-Flesinoxan-ME719990--4.617414.18402
Fludorex-ME719936--6.127232.09549
formyl-isoglutamine-ME719972--0.868173.05631
Furagin-ME719949--5.348263.04139
Ga-ME719881--0.893296.14105
gamma-Glutamyl-gamma-aminobutyraye-ME720066--6.701231.09878
gamma-L-glutamyl-L-tyrosine-ME720041--4.409309.10995
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME720115--4.506216.13535
GeranylhydroquinoneGeranylhydroquinoneME719679--6.107245.155
Ggamma-L-Glutamyl-L-glutamicacid-ME720025--6.683275.08923
glu-aspGlu-AspME720104--6.237261.07339
Glucose 1-phosphateGlucose 1-phosphateME720113--8.437259.02292
"Glucuronic acid-3,6-lactone"-ME719922--0.706175.02433
GlutathioneGlutathioneME720054--7.083306.07715
glu-thrGlu-ThrME720084--6.84247.09392
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME719984--4.951245.04346
Glycylglutamic acidGly-GluME720093--5.522203.06717
GlycylglutamineGly-GlnME720051--6.962202.08319
Gly-DL-Phe-ME719908--0.887221.09313
Gly-SerGly-SerME720071--0.623161.05617
GMP;5'-GMP;Guanosine5'-monophosphate-ME720079--5.31362.05163
GuanineGuanineME719857--0.694150.04133
GuanosineGuanosineME719913--0.723282.08487
GynocardinGynocardinME719726--0.762302.0888
HEPES-ME719885--4.488237.09167
Hexadecanedioicacid;Thapsicacid-ME719749--3.055285.20765
hexobarbital-ME719890--4.538235.10903
Hexyl 2-furoate-ME719708--0.796195.10243
Hexylresorcinol-ME719723--0.77193.12314
his-aspHis-AspME719954--7.083269.0884233
HP1760000-ME719886--8.105341.11811
IbuprofenIbuprofenME719688--6.541205.12326
Iclaprim-ME719779--0.918353.16107
Iloprost-ME719727--5.096359.22364
InosineInosineME719858--4.57267.07391
iproclozide-ME719897--0.797241.07516
Isatin-ME719677--7.361146.02399
IsoniazidIsoniazidME719689--6.327136.05216
(-)-Isopiperitenone-ME719745--7.069149.09647
IsoxanthopterinIsoxanthopterinME719914--0.587178.03656
(-)-JasmonicacidJasmonic acidME719711--2.885209.1182
Juniperic acidJuniperic acidME719709--4.174271.22853
KyotorphinTyr-ArgME719768--3.52336.16736
L-2-Methyltryptophan-ME719851--7.184217.09828
L-AnserineAnserineME720114--0.759239.11519
L(+)-Citrulline;2-Amino-5-uredovalerate-ME720038--6.821174.08794
L-Djenkolicacid-ME719946--0.905313.05248
leu-pheLeu-PheME719849--3.93277.15635
Leu-ValLeu-ValME719878--6.841229.15591
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME719978--4.074259.1304233
L-gamma-Glutamyl-L-valinegamma-GlutamylvalineME720050--6.441245.1146067
L-Glutamic acidGlutamic acidME720057--4.875146.045035
L-Glutathione oxidizedGlutathioneME720117--8.838611.14624
L-HomocysteicacidHomocysteic acidME720032--6.758182.01246
L-PhenylalaninePhenylalanineME719903--4.055164.0711
"L-Serine, anhydride with 5′-adenylic acid (...-ME719909--4.522433.08856
L-serine phosphoethanolamine-ME720106--0.917227.04395
L-TyrosineTyrosineME719948--0.718180.0662
LysylvalineLys-ValME720105--8.027244.16698
Maleic acidMaleic acidME720015--0.793115.00267
mebutamate-ME719943--5.14231.13515
MedroxyprogesteroneMedroxyprogesteroneME719696--0.925343.22862
meglumine-ME719933--0.729194.1031
MEIQX-ME719998--6.238212.09513
Mesaconic acidMesaconic acidME719792--5.572129.01846
MethionylleucineMet-LeuME719965--4.676261.1283133
"methyl 3,5-ditert-butyl-4-hydroxybenzoate"-ME719673--7.602245.15504
Methylhippuric acidMethylhippuric acidME719669--5.114192.06631
Methylprednisolone-ME719747--6.687373.20286
MFCD00002953-ME719693--5.478151.07575
MFCD00025555-ME720003--6.455201.12429
MFCD00037215-ME720086--7.41217.083
MFCD03411993-ME719750--7.692325.20281
miglustat-ME720083--3.671218.13979
(M)-murrastifoline-F-ME719941--8.522419.17472
N-(2_3-Dihydroxybenzoyl)-L-serine-ME720053--7.076240.05158
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME720007--0.783202.07191
"N2,N6-Bis(2,3-dihydroxybenzoyl)-L-lysine"N2,N6-bis(2,3-Dihydroxybenzoyl)-L-lysineME719917----
N-[(2S)-2-Hydroxypropanoyl]methionine-ME719906--0.72220.06493
N5-Ethyl-L-glutamineN(5)-Ethyl-glutamineME720016--6.102173.09266
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME719999--6.246203.10359
N-(6-Aminohexanoyl)-6-aminohexanoate-ME719862--4.441243.17169
N8ONU3L3PG-ME719782--0.923224.12928
N-AcetylaspartylglutamicacidN-Acetyl-Asp-GluME720076--5.412303.08406
N-Acetyl-beta-D-galactosamine-ME719929--0.818220.08266
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME719966--3.231227.0724
N-Acetyl-DL-serineN-AcetylserineME719963--4.557146.04512
N-Acetyl-L-citrullineN-AcetylcitrullineME720040--6.843276.12067
N-Acetyl-L-histidineN-AcetylhistidineME719987--7.847196.07237
N-Acetylneuraminic acidN-Acetylneuraminic acidME720062--4.758308.099435
N-AcetylvanilalanineN-AcetylvanilalanineME719853--3.997252.0882
NeopterinNeopterinME719940--4.981252.07423
N-Formyl-L-aspartateN-Formyl-aspartic acidME720033--3.085160.02452
N-Gluconyl ethanolamine phosphateN-Gluconyl ethanolamine phosphateME720060--7.137318.06013
NitrilotriaceticacidNitrilotriacetic acidME720030--0.774190.03539
Norepinephrine(Noradrenaline)Xi-NorepinephrineME719930--4.957168.06611
Norepinephrine sulfateNorepinephrine sulfateME719920--4.616308.04548
norhaman-ME719785--0.789167.0609
NP-008309-ME719667--0.784206.08205
NP-021698-ME719861--0.717222.07722
N-Succinyl-L-glutamateN2-SuccinylglutamateME720072--5.348246.06226
N-UndecanoylglycineN-UndecanoylglycineME719762--4.044242.17644
Octahydrocoumarin-ME719730--0.723153.09143
Octanoyl-glycerone 3-phosphate-ME720048--6.91295.09417
Octyl (4xi)-2-deoxy-2-[(Z)-(1-hydroxyethylidene)am...-ME719895--6.715332.20861
Octylaldehyde-ME719760--0.864187.13368
ophthalmic acidOphthalmic acidME720056--7.427288.12079
O-propenoyl-D-carnitine-ME719840--0.812214.10841
Oroticacid(vitaminB13)-ME719915--4.846155.00916
orysastrobin-ME719732--7.66372.16718
OstruthinOstruthinME719659--4.598297.15358
O-Succinyl-L-homoserineo-SuccinylhomoserineME720002--4.864218.06699
Oxaloglutarate2-Oxaloglutaric acidME719931--6.679203.01956
Pantothenic acidPantothenic acidME719938--0.833218.10332
PantothenolPantothenolME719786--5.548204.12402
Paracetamol-cysteine-ME719873--4.307269.06081
PC4959775-ME719666--0.859197.06056
pC-HSL-ME719680--2.632246.07759
p-cresolsulfatepotassium;p-Cresolsulfate-ME719658--0.61187.00676
Peroxydisulfuric acid-ME720014--6.537192.91113
Phe-hisPhe-HisME719784--0.813301.13103
Phenylmethanesulfonylfluoride-ME719829--0.828173.00742
Pidotimod-ME719866--0.819243.04481
PKF118-310-ME719863--0.769192.052435
PrazepamPrazepamME719992--6.176323.09554
PregabalinPregabalinME719982--6.695158.11803
PterinPterinME719823--6.448162.04152
p-Toluenesulfonic acid-ME719713--7.088171.01159
pyrazosulfuron-ME719996--0.738385.05821
PyrophosphatePyrophosphateME720085--7.092176.93551
(-)-QuebrachitolPinitolME719813--3.055193.07149
(R)-2_3-Dihydroxy-3-methylbutanoate-ME720020--5.08313.11373
(R)-2_3-Dihydroxy-3-methylpentanoate-ME719880--4.499166.044355
R79646H5Z8-ME719766--0.725285.17146
(R)(-)-Allantoin(R)-AllantoinME719830--7.481157.03605
RiboflavinB2RiboflavinME719839--0.561411.1087
Ripazepam-ME719720--0.722267.1244
Ro 20-1724-ME719841--3.691277.15634
rolodine-ME719754--5.966237.11346
SaccharopineSaccharopineME720107--7.35275.12559
"Salicylic acid, 5-nitro-"-ME719994--0.761182.00909
S-Allyl propanethioate-ME720058--3.448129.03779
SarmentosinSarmentosinME719734--6.907320.09944
Secnidazole-ME719961--4.041184.07249
Ser-SerSer-SerME720064--7.18191.06703
Sesamex-ME719783--0.597297.1349
S-(Hydroxymethyl)glutathioneS-(Hydroxymethyl)glutathioneME719879--4.442336.08623
[Similar to: 17(S)-HpDHA; ?Mass: -123.1991 Da]-ME720097--7.701236.02365
"[Similar to: (1S,4R,4aS,8aS)-1,2-Bis(hydroxymethy...-ME719794--1.778233.10321
[Similar to: 2-({2-[4-(ethoxycarbonyl)anilino]-2-o...-ME719692--0.746276.08826
[Similar to: 2-(acetylamino)-4-(methylthio)butanoi...-ME719824--3.295190.01764
"[Similar to: (3?,5?,9?)-3-{[?-D-Glucopyranosyl-(1...-ME720006--6.417416.14201
"[Similar to: (3?,5?,9?)-3-{[?-D-Glucopyranosyl-(1...-ME720004--0.748401.0766
[Similar to: 3-Hydroxybutyric acid; ?Mass: 221.035...-ME719921--4.894370.08052
[Similar to: 3-Hydroxybutyric acid; ?Mass: 221.090...-ME719928--4.949324.1307
[Similar to: [(6-O-Hexopyranosylhexopyranosyl)oxy]...-ME720073--7.294401.0264
[Similar to: Biopterin; ?Mass: -0.0361 Da]-ME719845--0.89236.04275
[Similar to: ?-Cyclodextrin; ?Mass: -306.0930 Da]-ME720100--4.564665.21664
[Similar to: ?-Cyclodextrin; ?Mass: -408.1256 Da]-ME720067--4.484563.18411
[Similar to: Docosahexaenoyl Ethanolamide; ?Mass: ...-ME719924--4.921283.0878
[Similar to: Docosahexaenoyl Ethanolamide; ?Mass: ...-ME719923--4.921283.08771
[Similar to: Docosahexaenoyl Ethanolamide; ?Mass: ...-ME719934--4.177283.07897
[Similar to: D-Sedoheptulose 7-phosphate; ?Mass: -...-ME720090--8.596288.98785
[Similar to: D-Sedoheptulose 7-phosphate; ?Mass: -...-ME720044--6.898288.88858
[Similar to: D-Sedoheptulose 7-phosphate; ?Mass: -...-ME720052--5.734288.88853
[Similar to: D-Sedoheptulose 7-phosphate; ?Mass: 1...-ME720091--0.85288.98779
[Similar to: D-Sedoheptulose 7-phosphate; ?Mass: 1...-ME720089--7.555288.99734
[Similar to: D-(+)-Tryptophan; ?Mass: -0.1174 Da]-ME719894--7.668202.96518
[Similar to: D-(+)-Tryptophan; ?Mass: -60.1386 Da]-ME719893--5.457202.96516
[Similar to: D-(+)-Tryptophan; ?Mass: -84.1151 Da]-ME719911--3.245298.96335
[Similar to: D-(+)-Tryptophan; ?Mass: 95.8808 Da]-ME719910--3.573298.96336
[Similar to: D-(+)-Tryptophan; ?Mass: 95.8809 Da]-ME719892--2.241298.96347
[Similar to: D-(+)-Tryptophan; ?Mass: 95.9885 Da]-ME719884--0.792299.07112
[Similar to: D-(+)-Tryptophan; ?Mass: 95.9926 Da]-ME719875--5.023299.07517
"[Similar to: Ethyl N?[({4?[(1E)?2?{4?[(1E)?2?(2,5...-ME720119--9.212203.0229
[Similar to: Glucose 1-phosphate; ?Mass: -69.9743 ...-ME720035--1.221189.04813
[Similar to: Glycerophospho-N-palmitoyl ethanolami...-ME719960--5.286185.07586
[Similar to: Guanosine 5'-diphospho-D-mannose; ?Ma...-ME720080--7.43324.09434
[Similar to: Isoxanthopterin; ?Mass: -0.1244 Da]-ME719870--4.27177.9126
"[Similar to: N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dim...-ME719872--4.305255.82254
"[Similar to: N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dim...-ME719882--4.477255.04837
[Similar to: N-(3-cyano-5-phenyl-2-furyl)-2-methyl...-ME719868--4.18182.00201
[Similar to: NP-016129; ?Mass: -208.1556 Da]-ME719831--0.722208.9846
[Similar to: NP-017667; ?Mass: -148.1169 Da]-ME719710--4.04179.02802
[Similar to: NP-018741; ?Mass: -280.1107 Da]-ME719981--6.024147.02917
[Similar to: NP-019848; ?Mass: -353.2332 Da]-ME719810--4.94212.10229
[Similar to: NP-021038; ?Mass: -164.2242 Da]-ME719952--7.547240.95242
[Similar to: NP-021698; ?Mass: -0.0816 Da]-ME719855--2.929221.99553
[Similar to: Pantothenic acid; ?Mass: 0.0070 Da]-ME719937--3.759218.11043
[Similar to: Taurine; ?Mass: 128.9044 Da]-ME720049--6.913288.88856
[Similar to: Taurine; ?Mass: 129.0430 Da]-ME720039--4.294253.05042
[Similar to: Taurine; ?Mass: 129.1076 Da]-ME720024--0.797253.11497
[Similar to: UDP-N-acetylglucosamine; ?Mass: -321....-ME720074--0.758323.02943
[Similar to: Xanthine; ?Mass: 48.9739 Da]-ME719836--3.559199.99971
[Similar to: Xanthine; ?Mass: 85.0166 Da]-ME719828--4.607236.04272
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME719869--4.245292.07096
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME720026--0.873214.0485
S-Sulfinatoglutathione-ME719983--0.938370.03882
Stiripentol-ME719716--0.741233.11852
Streptamine 4-phosphateStreptamine 4-phosphateME720031--6.746257.05487
Succinic acidSuccinic acidME719770--0.742177.03997
SuccinyladenosineSuccinyladenosineME720023--6.776382.10116
TaurineTaurineME719967--6.103124.0064
TauropineTauropineME719860--2.881196.02825
Terephthalic acidTerephthalic acidME719980--5.999165.01873
TestolateTestolic acidME719737--3.045319.19215
TetradecanedioicacidTetradecanedioic acidME719769--0.895257.17622
theodrenaline-ME719740--0.773374.14671
Thiocarlide-ME719942--6.99399.20926
ThreonylserineThr-SerME720043--7.369205.08285
thyronineThyronineME719698--3.35272.09351
"trans,trans-Muconic acid"-ME719789--4.694141.01851
TreosulfanTreosulfanME719918--7.782277.00583
trimethadioneTrimethadioneME720010--7.502202.07203
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME719969--5.727180.08721
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME720077--6.236606.07588
Undecanedioic acidUndecanedioic acidME719816--3.117215.12884
UplandicineUplandicineME719735--0.8356.17235
UracilUracilME719790--4.046111.018985
UridineUridineME719809--0.86243.0625
Uridine 5'-diphosphogalactose-ME720092--0.765565.04905
Val-MetVal-MetME719898--4.601247.11249
Vanillyl alcohol4-Hydroxy-3-methoxybenzenemethanolME719739--0.713153.05503
Versicolorin BVersicolorin BME719902--0.786399.07317
Vorinostat-ME719864--4.146263.1407
XanthineXanthineME719832--0.753151.02533
XanthosineXanthosineME719846--0.702283.06908
YK6000000-ME719699--0.837259.11923
ZalcitabineZalcitabineME720001--7.472210.0883225
ZonisamideZonisamideME719652--0.89211.01818


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