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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
11-Aminoundecanoic acid11-Aminoundecanoic acidME720556--3.948202.17987
1_2_4-Trimethylbenzene-ME720228--0.753121.10127
1_2-beta-D-Glucuronosyl-D-glucuronate-ME720305--2.832371.0807
"1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMI...-ME720564--2.991836.52132
"1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOSERINE"-ME720498--3.3880.51126
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofu...-ME720512--6.722266.12298
"1,3-Dimethyl-6-morpholino-1,2,3,4-tetrahydropyrim...-ME720411--6.103226.11833
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxyl...-ME720547--6.087259.12859
"1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glyc...-ME720388--3.871568.33915
"1-{[5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,5,6...-ME720589--0.892396.27391
1-Amino-1-deoxy-scyllo-inositol4-phosphate-ME720382--7.684260.05268
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME720128--3.658118.068205
"1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine"-ME720312--5.544231.115485
"1-(beta-D-Ribofuranosyl)-1,3,4,7-tetrahydro-2H-1,...-ME720162--6.793245.11287
1-Cyclohexenecarboxylic AcidCyclohex-1-enecarboxylic acidME720364--3.581168.10174
1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositolME720266--7.523220.09257
1-Deoxy-D-altro-heptulose7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME720365--7.512275.05218
1-Deoxy-L-mannitol-ME720408--3.226189.07316
1-heptadecanoyl-sn-glycero-3-phosphocholineLPC 17:0/0:0ME720423--4.046510.35473
1-hexadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-pho...-ME720442--3.546774.59996
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho...PC 16:0/18:0ME720460--3.66762.60112
1-LinoleoylglycerophosphocholineLPC 18:2ME720306--3.95520.33913
1-Methyladenine1-MethyladenineME720129--4.34150.07731
1-Methyladenosine1-MethyladenosineME720355--5.394282.11926
1-Methylguanine1-MethylguanineME720256--3.355166.0722
1-myristoyl-sn-glycerol-ME720664--0.694335.27844
1-Nitrosopiperidine-ME720223--8.021115.08676
1-Oleoyl-2-Stearoyl-sn-Glycero-3-Phosphocholine-ME720449--3.574788.61551
1-OleoylglycerophosphocholineLPC 18:1/0:0ME720273--3.906522.354765
1-Palmitoyl-2-hydroxy-sn-glycero-3-PELPE 16:0/0:0ME720525--3.882454.29211
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholinePC 16:0/18:1ME720439--3.326760.584295
1-palmitoylglycerol;MAG(16:0)MG 16:0/0:0/0:0ME720463--0.697331.28369
1-PalmitoylglycerophosphocholineLPC 16:0/0:0ME720362--4.062496.33901
1-Pyrroline-4-hydroxy-2-carboxylate1-Pyrroline-4-hydroxy-2-carboxylateME720165--7.984147.07631
"(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobu...-ME720472--0.714258.20599
(1S_4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate-ME720263--0.68159.06501
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolami...PE 18:0/18:1ME720494--3.272746.56877
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol-ME720490--4.427583.32331
2-(1-benzofuran-2-yl)-4H-chromen-4-one-ME720426--6.051263.07342
"2-({2-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-2-oxo...-ME720499--5.131244.07884
2_2'-Iminodipropanoate-ME720233--5.637162.075955
"2,3,4,5,6-Pentahydroxy-N-(2-hydroxyethyl)hexanami...N-Gluconyl ethanolamineME720371--5.048240.10879
2_3_5-Trihydroxytoluene2,3,5-TrihydroxytolueneME720345--0.703182.08102
2-(3-Carboxy-3-aminopropyl)-L-histidine-ME720143--7.926257.12405
2'_3'-CyclicGMP-ME720568--6.652346.05633
"2,3-Dimethylquinoxaline"-ME720504--4.558159.09154
"2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-(1...-ME720598--2.175316.21141
"2',4',11-trioxaspiro[tricyclo[4.4.1.0Âa,⁶]u...-ME720203--6.064337.57159
246I1D7TDL-ME720413--0.789240.19553
"2,4,6-triaminotoluene"2,4,6-TriaminotolueneME720298--5.501138.10249
"2,4-dihydroxyheptadec-16-ynyl acetate"-ME720347--0.695327.25248
2-(4-Hydroxyphenyl)ethanol(Tyrosol)TyrosolME720330--0.758139.07521
2-[(5-chloro-3-pyridyl)oxy]-5-(1H-pyrrol-1-yl)pyri...-ME720331--6.055272.06135
"2,5-Dimethyl-4-ethoxy-3(2H)-furanone"-ME720317--0.795157.08572
2_5-Dioxopiperazine-ME720342--3.66115.05037
2-[(5Z)-5-tetradecenyl]cyclobutanone-ME720441--0.684265.25218
"2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosph...-ME720384--3.719526.29227
"2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)anil...-ME720662--6.893283.13967
"2,6-Diamino-7-hydroxynonanedioic acid"-ME720544--6.824276.15502
2_6-Diaminoheptanedioicacid2,6-Diaminopimelic acidME720166--4.151191.10242
"2,6-Dideoxy-3-O-methyl-L-arabino-hexopyranose"-ME720184--6.998388.19354
"2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridi...-ME720604--8.3241.12917
2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphateME720294--7.928335.07315
2-amino-3-({[1-(dimethylamino)-1H-pyrrol-2-yl]meth...-ME720275--0.695150.054795
2-Amino-4-methylpyrimidine-ME720292--6.312105.8148825
"2-Amino-9,10-epoxy-8-oxodecanoic acid"2-Amino-9,10-epoxy-8-oxodecanoic acidME720191--5.947248.14893
2-Aminoacetophenone;O-Acetylaniline-ME720602--3.801177.10215
2-Aminoacrylate2-Aminoacrylic acidME720663--6.68788.03979
"2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine"-ME720632--6.558168.11294
2-Docosahexaenoyl glycerol-ME720285--0.684420.31012
"(2E)-5-[(8aS)-2,5,5,8a-tetramethyl-3-oxo-3,4,4a,5...-ME720505--0.938341.21068
2-Ethyl-2-phenylmalonamidePhenylethylmalonamideME720353--0.68207.11255
2-Ethyl-5-methylfuran2-Ethyl-5-methylfuranME720369--0.763111.08066
2-HexenoylcarnitineCAR 6:1ME720518--3.752258.16969
"2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol"-ME720366--4.83178.107245
2-Hydroxy-N-(2-hydroxyethyl)propionamide-ME720127--3.662134.081135
"2-mercapto-4,6-dimethylnicotinonitrile"-ME720612--0.778165.0479
2-MercaptoethanolMercaptoethanolME720474--1.04479.02169
"2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-on...-ME720324--3.654171.4265867
"2-methyl-3-(2-thienyl)-3,3a,4,5-tetrahydro-2H-ben...-ME720655--6.056269.11287
2-Methyl-6-oxohepta-2_4-dienal-ME720240--0.754141.09081
2-methylbutyrylcarnitineCAR 4:0;2MeME720242--4.201246.16963
2-Methylcholine2-MethylcholineME720136--3.385118.12277
2-Methylhippuricacid2-Methylhippuric acidME720613--0.87194.08104
2-Methylthiazolidine2-MethylthiazolidineME720340--5.031155.575275
2-(Methylthio)ethanol-ME720452--0.96593.0373
2-OxindoleIndolin-2-oneME720376--0.678134.06
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate-ME720398--0.75183.10144
2-Phenylethanol2-PhenylethanolME720188--0.741123.08051
"(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-...-ME720574--0.963790.53719
(2R_3S)-2_3-Dimethylmalate-ME720516--6.503325.11237
(2R_4S)-2_4-Diaminopentanoate-ME720396--6.843133.09713
"(2R,6S)-2,6-Diamino-3-hydroxyheptanedioic acid"-ME720315--5.031207.09734
(2S)-2-Amino-8-hydroxyoctanoic acid-ME720437--3.876176.12797
(2S)-3-Hydroxy-2-(octanoyloxy)propyl decanoate-ME720400--0.705355.28363
3-(3_4-Dihydroxypyridin-1-yl)-L-alanine-ME720645--4.706218.11322
"3,4-Methylenesebacic acid"-ME720410--0.767227.12739
"3,5-Dimethyl-1-phenylpyrazole"-ME720549--0.845173.10718
"3-[6-(tert-butyl)-1,1-dimethyl-2,3-dihydro-1H-ind...-ME720453--5.007257.07402
"3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-...-ME720522--7.027293.17028
3-Amino-2-naphthoic acid-ME720640--0.87188.07379
3-Amino-2-piperidinone-ME720318--6.833115.08676
3-Amino-3-(4-hydroxyphenyl)propanoatebeta-TyrosineME720343--0.711182.08105
"3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione"-ME720552--6.745155.08134
3-Aminopropane-1-sulfonic acidCerebrilME720608--5.591140.0375
3-BHA-ME720661--0.861198.14863
3-Butyn-1-al3-Butyn-1-alME720297--4.93669.03378
3-Dehydroxycarnitine3-DehydroxycarnitineME720428--2.191146.11743
3-Guanidinopropanoate3-Guanidinopropanoic acidME720290--7.496132.0767
"3-Hydroxy-2,4,5-pyridinetrimethanol"-ME720180--5.23186.07592
3-hydroxy-2-methyl-1H-quinolin-4-one-ME720530--0.718208.09655
3-Hydroxy-2-methyl-4-pyroneMaltolME720210--7.509127.03902
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylam...-ME720622--5.796262.16456
"3-Hydroxy-5, 8-tetradecadiencarnitine"-ME720320--3.719384.27394
3-Hydroxycyclohexanone-ME720196--0.769115.0755
3-hydroxyoctanoylcarnitineCAR 8:0;3OHME720595--4.271304.21138
3-Mercapto-2-butanol-ME720333--0.916107.0528
3-Mercapto-3-methylbutan-1-ol-ME720412--0.835121.06826
3-Methylcrotonylglycine3-MethylcrotonylglycineME720519--1.782158.08094
3-Methylhistamine3-MethylhistamineME720257--4.702117.58774
3-Methylhistidine3-MethylhistidineME720607--8.333170.09221
3-Methylsulfolene-ME720303--5.335133.03178
3-(Pyrazol-1-yl)-L-alanine3-(Pyrazol-1-yl)-L-alanineME720327--6.312156.07664
(3R)-beta-Leucinebeta-LeucineME720430--4.002132.101862
"(3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-Pentahyd...-ME720462--0.777387.30968
"4,8-dihydroxy-6,6,8-trimethyl-1H,3H,4H,4aH,5H,6H,...-ME720593--6.412289.13891
4-Acetamido-2-amino-6-nitrotoluene-ME720557--0.769210.08699
4-Acetamidobenzoic acid4-Acetamidobenzoic acidME720337--0.695184.32251
"(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)met...-ME720403--0.799198.09746
4-Amino-5-hydroxymethyl-2-methylpyrimidine4-Amino-5-hydroxymethyl-2-methylpyrimidineME720576--3.306301.139
4-Aminopyridine4-AminopyridineME720599--6.30995.06056
"(4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-(prop-1-en-...-ME720559--6.357215.13892
4-Butyloxazole-ME720493--7.812126.0914
"4-Cyano-N-[(1R,9S)-11-(2-naphthoyl)-6-oxo-7,11-di...-ME720590--7.477527.15757
"4-cyclopropyl-6-methoxy-1,3,5-triazin-2-amine"-ME720135--3.66146.57944
4-Dimethylaminoantipyrine-ME720248--8.29232.14009
4-Fluoro-?-pyrrolidinobutiophenone-ME720558--6.238236.14894
4-Hydroxy-2-butynal4-Hydroxybut-2-ynalME720157--4.091146.54336
4-IndolecarbaldehydeIndole-4-carboxaldehydeME720539--4.561146.05991
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME720269--0.81144.04765
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTA...NNAL-N-oxideME720236--5.645226.11831
"4-(Methylthio)-6-(4-pyridyl)-1,3,5-triazin-2-amin...-ME720277--6.339220.06896
4-Nitroaniline4-NitroanilineME720328--6.314156.07666
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol-ME720619--4.636196.10794
4-Oxocyclohexanecarboxylate-ME720647--0.743143.07019
"4-phenyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazi...-ME720169--5.036216.05412
4-phenylsemicarbazide-ME720646--6.313152.0817
(4S)-4-{[(9Z)-3-Hydroxy-9-hexadecenoyl]oxy}-4-(tri...-ME720465--3.68414.32096
4-Undecylbenzenesulfonic acid-ME720531--5.198313.18312
"5-[(4-methoxybenzyl)amino]-2,3-dihydro-1,3,4-thia...-ME720421--8.529276.0227
"5,7-dihydroxy-2-phenyl-4H-chromen-4-one"-ME720185--5.426255.06254
"5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-ox...-ME720281--0.78221.07402
5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLE...-ME720478--7.982664.11553
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME720161--7.215255.06415
5-Methoxybenzimidazole-ME720587--0.903149.07082
5-Methyldeoxycytidine5-MethyldeoxycytidineME720323--6.026242.11326
5-Nitro-o-toluidine-ME720617--6.557153.06563
5-Phosphonooxy-L-lysine-ME720291--8.116243.07373
6-Acetamido-3-aminohexanoate-ME720352--6.14189.12315
6-Amino-9H-purine-9-propanoic acid-ME720372--5.044240.10884
6-Methylindole-ME720618--4.559132.08073
6-methyltetrahydropterin6-MethyltetrahydropterinME720397--2.865182.10355
"6-(tert-butyl)thieno[3,2-d]pyrimidin-4(3H)-one"-ME720227--5.86209.07253
"7-methyl-3-nitroimidazo[1,2-a]pyridine"-ME720293--8.39178.05851
7-Methylguanine7-MethylguanineME720253--3.625166.0722
7-Methylguanosine7-MethylguanosineME720198--3.605298.11419
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME720153--0.935188.12794
8-DEMETHYL MEIQX-ME720309--6.311200.09373
8'-Hydroxyabscisate-ME720316--0.71281.13793
AcadesineAICARME720459--3.602259.10341
AceclidineAceclidineME720152--0.935170.11737
Acetohydroxamic acidAcetohydroxamic acidME720484--6.45776.03991
Acetonecyanohydrin2-Hydroxy-2-methylpropanenitrileME720546--0.977118.08643
AcetylcholineAcetylcholineME720200--3.225146.1173933
Acetyl-L-carnitineCAR 2:0ME720630--5.88204.12285
Acetyl-?-methylcholine-ME720336--5.867160.13306
AdenineAdenineME720454--2.585136.06167
AdenosineAdenosineME720496--2.843268.10359
afegostat-ME720354--5.849148.09664
AJ6475000-ME720264--4.492168.03237
AlanyltryptophanAla-TrpME720627--5.177276.13389
Ala-Pro(Alanyl-Proline)Ala-ProME720124--3.671280.157555
AllopurinolAllopurinolME720267--2.974137.0456833
allylcysteineS-AllylcysteineME720189--3.813162.0581367
alpha-methylstyrene-ME720637--2.315119.08566
anacardic acidAnacardic acidME720404--0.669349.27308
Anthranilic acid2-Aminobenzoic acidME720427--0.856138.0548
apronalide-ME720349--3.895185.1283
arg-leuArg-LeuME720265--6.768288.20261
Arg-TrpArg-TrpME720123--6.447361.19762
asn-proAsn-ProME720286--7.036230.11333
asn-valAsn-ValME720419--4.825232.12895
AsparagineAsparagineME720177--6.828124.54756
Asparaginyl-4-hydroxyproline-ME720551--7.463263.13461
Aspartyl-L-prolineAsp-ProME720250--6.847231.0973
Bemegride-ME720272--0.935156.10178
BenserazideBenserazideME720649--5.052258.10817
BenzocaineBenzocaineME720628--5.657144.10174
beta-Alanyl-L-argininebeta-Alanyl-L-arginineME720268--8.03246.15573
beta-Glycerophosphoricacidsn-Glycero-2-phosphateME720259--7.005173.02084
BetaineBetaineME720172--5.743118.08634
Bethanidine-ME720218--2.404178.13372
Bicyclo Prostaglandin E2Bicyclo-PGE2ME720580--0.94357.20561
Bis(2-ethylhexyl)adipateDiethylhexyl adipateME720503--0.646371.31484
Bis(4-ethylbenzylidene)sorbitol-ME720432--0.709306.163975
Bluensidine-ME720235--5.802265.1131
BotrydialBotrydialME720381--0.72311.18472
ButabarbitalButabarbitalME720567--6.108213.12315
ButenylcarnitineCAR 4:1ME720387--5.217230.13844
ButylbutyrateButyl butanoateME720359--0.712145.12215
Butyryl-L-carnitineCAR 4:0ME720473--4.75232.15404
BX9286000-ME720444--6.673310.1756
CapryloylglycineCapryloylglycineME720639--0.895202.1436
CarbocysteineS-Carboxymethyl-cysteineME720656--4.394180.03231
carglumic acidCarglumic acidME720641--7.304191.066
CarnosineCarnosineME720158--8.033227.11354
Carnosine(beta-alanyl-L-histidine)-ME720262--5.988227.11358
Catechol;1_2-Dihydroxybenzene-ME720658--0.893152.07044
CDP-ethanolamineCDP-EthanolamineME720401--8.264447.06704
chavicol-ME720244--0.711135.080325
CholineCholineME720351--4.473104.1072833
CholinesulfateCholine sulfateME720451--5.221184.06369
CoformycinCoformycinME720142--8.034285.1189
CotinineCotinineME720603--3.797177.10207
CreatineCreatineME720212--6.2132.0766833
Crotonic acidCrotonic acidME720167--5.86104.070905
CU5774000-ME720390--0.72153.090845
Cyclohex-2-enoneCyclohex-2-enoneME720520--7.14997.0652
cys-glnCys-GlnME720668--6.869250.08531
cys-valCys-ValME720615--6.103221.09522
CytarabineCytarabineME720296--4.78244.0925
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine-ME720313--7.516244.0924
Cytidine 5'-diphosphocholineCDP-cholineME720350--9.024489.113995
Cytidine 5'-monophosphate (hydrate)CMPME720274--8.261324.05863
CytosineCytosineME720289--3.926156.3918867
D-2-Amino-hexano-6-lactam-ME720392--6.753161.12832
D-Ala-D-AlaD-Alanyl-D-AlanineME720121--4.043168.4192467
D-(-)-Aspartic acidD-Aspartic acidME720536--7.606134.04471
D-CarnitineD-CarnitineME720495--5.925162.112355
DD9275000-ME720278--0.634133.0759767
delta-GuanidinovalericacidDGVAME720624--5.334160.107935
DeoxycytidineDeoxycytidineME720326--3.931228.097565
Dexamisole-ME720483--0.705205.07917
di(3-pyridyl) 5-(tert-butyl)isophthalate-ME720579--3.813377.14506
diflumidone-ME720216--6.057312.04983
DihydrothymineDihydrothymineME720634--6.452129.06584
Diisodecyl phthalateDiisodecyl phthalateME720524--0.644447.34614
Dimefox-ME720391--5.338155.07498
Dimethylaminopropionylphenothiazine-ME720588--0.708299.12081
Dinophysistoxin-1Dinophysistoxin-1ME720644--0.953836.52103
dinotefuranDinotefuranME720653--5.935203.1137
DINPDiisononyl phthalateME720665--0.651419.31472
DL-ArginineArginineME720288--7.751175.118795
DL-Arginine-6C13-ME720254--7.752181.13879
DL-Dipalmitoylphosphatidylcholine-ME720438--3.387734.568585
DL-GlutamineGlutamineME720513--6.667147.07623
DL-Phenylalanine-6C13-ME720380--0.934172.10622
DL-SerineSerineME720629--6.645106.05017
DL-Serine-13C3SerineME720300--6.656109.06019
DL-TryptophanTryptophanME720648--4.56205.09694
D-myo-Inositol1_2-cyclicphosphateInositol cyclic phosphateME720492--7.357243.02628
DOG-ME720394--0.726345.26315
D-O-Phosphoserine-ME720145--8.118186.01604
D-PhenylalanineD-PhenylalanineME720225--1.351166.086105
D-PipecolicacidD-Pipecolic acidME720616--6.05130.08624
D-ProlineD-ProlineME720311--5.865116.07079
D-(+)-Pyroglutamic Acid-ME720226--7.498147.07626
D-RaffinoseRaffinoseME720358--7.477522.20209
(E)-4-hydroxyphenylacetaldehydeoxime-ME720601--0.924152.07035
EcgonineEcgonineME720431--5.253186.11232
EctoineEctoineME720561--3.792159.09445
EDDA-ME720480--7.559177.08684
Eglumetad-ME720155--8.036186.07591
EGTA-ME720635--4.71381.15177
Elaeokanine CElaeokanine CME720252--0.81212.16421
Epinephrine(OrL-Adrenaline)-ME720182--0.678172.0896033
epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME720415--4.147276.15502
EQH-ME720222--6.678413.17725
Ergothioneine;Thiolhistidine-betaine-ME720295--5.983230.09554
"ethyl 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]...-ME720511--4.831267.058385
ethyl 4-amino-2-[(3-nitro-2-pyridyl)thio]pyrimidin...-ME720174--4.999322.05438
Eugenol;4-Allylguaiacol-ME720373--0.881165.09085
eugenol sulfateEugenol sulfateME720178--6.13245.04812
[FA(18:2)]9Z_11E-octadecadienoicacidRumenic acidME720245--0.699281.247
[FA(20:4)]17R_18S-epoxy-5Z_8Z_11Z_14Z-eicosatetrae...-ME720385--0.703301.21571
[FAamino(5:0)]2S-amino-pentanoicacid2S-Aminopentanoic acidME720374--0.988118.086425
[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicaci...-ME720160--5.855198.03712
[FAoxo(12:0)]12-oxo-10E-dodecenoicacidTraumatinME720489--3.773213.1483
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid(S)-5-Amino-3-oxohexanoateME720192--1.553146.081045
FructoselysineFructosyllysineME720562--8.675309.16515
Furfural;Furan-2-carbaldehyde-ME720329--7.47697.02881
GabapentinGabapentinME720197--2.228172.13302
Gabexate-ME720159--5.062385.18242
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME720481--5.643217.11804
(+/-)-GingerolGingerolME720636--0.728295.18996
gln-asnGln-AsnME720206--6.714261.11903
Glucose 1-phosphateGlucose 1-phosphateME720600--8.733261.03668
Glu-GlyGlu-GlyME720534--7.499205.08181
GlutarylcarnitineCAR DC5:0ME720287--6.141276.14378
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME720450--5.336247.05757
glycidyl oleate-ME720666--0.662339.28859
GlycylglutamineGly-GlnME720482--6.979204.09773
Gly-Pro(Glycylproline)-ME720299--4.825190.11844
Guanidinosuccinic acidGuanidinosuccinic acidME720186--5.014176.06566
GuanineGuanineME720137--4.18152.056515
GuanosineGuanosineME720643--4.937284.0985
Guanylurea-ME720510--4.02103.06174
GynocardinGynocardinME720130--4.183304.10262
H-DL-MET-DL-MET-OH-ME720631--4.891281.09841
hercynineHercynineME720479--5.633198.12352
HexanoylcarnitineCAR 6:0ME720591--3.878260.1853
Hexatriyne-ME720416--0.67992.04968
HexylamineHexylamineME720356--3.249102.128
his-metHis-MetME720341--7.207287.11679
His-SerHis-SerME720122--8.128263.62173
HistidylglycineHis-GlyME720151--8.252213.09794
HO-dPEG8-OH-ME720541--0.991388.25348
Hydrocotarnine-ME720578--0.685222.11216
HydroxyhexanoycarnitineCAR 6:0;OHME720389--5.006276.180195
HypotaurineHypotaurineME720239--6.123110.02729
HypoxanthineHypoxanthineME720148--4.098137.04564
β-D-Ribofuranosylcreatine-ME720609--6.669264.11865
ile-hisIle-HisME720126--6.439269.160395
Imagabalin-ME720261--2.05174.148725
ImetitImetitME720175--6.85171.069825
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME720357--6.313111.0554
Iminoerythrose4-phosphate-ME720367--8.113200.03164
Indane-ME720334--0.709119.08549
InosineInosineME720149--4.096269.087615
Isoleucine - 6C13-ME720407--5.182138.12186
Isoxanthopterin;2-Aminopteridine-4_7-diol-ME720563--4.229180.05138
Istamycin C1-ME720611--1.003432.27971
J42942UVUN-ME720509--7.442180.07659
KJ9800000-ME720422--0.663399.2497
?-LactoseLactoseME720491--6.504360.149335
?-Lapachone-ME720471--5.427243.09904
L-Carnitinamide-ME720393--6.744161.12829
L(-)-CarnitineCarnitineME720221--6.436162.11223
L-(+)-CitrullineCitrullineME720140--6.836187.095685
L-CystathionineCystathionineME720486--8.353223.07443
L-CystineCystineME720414--8.555241.03079
Leu-argLeu-ArgME720565--6.949288.20259
LeucylprolineLeu-ProME720332--5.253229.1544675
LeucyltryptophanLeu-TrpME720623--4.013318.18073
LeucyltyrosineLeu-TyrME720456--4.559295.16486
Leu-ValLeu-ValME720594--7.045231.17004
LevamisoleLevamisoleME720586--1.245205.07922
LevetiracetamLevetiracetamME720138--4.294256.165215
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME720229--5.322261.14423
L-Glutamic acidGlutamic acidME720164--6.829148.060245
L-Glutaminyl-L-prolineGln-ProME720322--6.942244.12889
L-Glutathione (reduced)GlutathioneME720436--7.49308.09063
L-HistidineHistidineME720219--8.218156.0766
L-Hypoglycin-ME720667--0.942142.08616
LinamarinLinamarinME720654--7.403248.11263
L-IndospicineIndospicineME720651--4.963174.12358
L-LysineLysineME720171--7.984147.11265
L-(-)-MethionineMethionineME720377--5.34372.04504
L-MethionineS-oxideMethionine sulfoxideME720515--6.85166.05311
LotaustralinLotaustralinME720488--7.084262.12818
L(-)-Pipecolinic acid-ME720141--8.059130.08623
L-serine phosphoethanolamine-ME720147--8.118229.05813
L-ThreonineThreonineME720487--6.463120.065635
L-TyrosineTyrosineME720669--5.528173.56778
L-Tyrosine methyl esterMethyl tyrosinateME720202--2.917196.09663
lycopsamineLycopsamineME720671--4.349300.1801
"LYSINOALANINE, (S,R)-"-ME720209--8.456234.14458
lys-leuLys-LeuME720173--6.911260.19656
LysoPC(P-18:0)LPC P-18:0ME720464--4.074508.37547
"lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,...-ME720319--3.442526.29215
Lys-pheLys-PheME720187--6.734294.18084
MaleamateMaleamateME720596--7.611116.03439
Maraniol-ME720283--0.677222.11217
Mebendazole-ME720592--0.697296.10409
mebutamate-ME720204--3.665233.14931
Medroxalol-ME720208--0.694373.17518
MetanephrineL-MetanephrineME720224--3.698180.10174
met-enkephalinMET-enkephalinME720213--4.715574.23265
MethionylleucineMet-LeuME720418--4.377263.14201
MethionylphenylalanineMet-PheME720585--4.197297.1263
MethionylserineMet-SerME720521--5.985237.09005
Methyl-3-aminobenzoate-ME720271--0.686115.54434
MethylglyoxalPyruvaldehydeME720234--5.636162.07593
Methylimidazoleacetic acidMethylimidazoleacetic acidME720650--6.372141.06572
metominostrobin-ME720433--0.693285.12288
MetronidazoleMetronidazoleME720406--7.076172.07147
met-valMet-ValME720605--5.271249.12647
MFCD00020424-ME720657--3.716313.15414
MFCD00025555-ME720529--5.839203.13888
MFCD00042898-ME720642--11.507873.69287
MFCD00153469-ME720575--0.826230.1748
MonooleinMG 18:1ME720425--0.723357.29929
Monostearin-ME720476--0.695359.31491
Muramic acidMuramic acidME720448--7.483220.08131
Myristamide-ME720545--1.374228.23195
"N1-(3-Pyridylmethyl)-3-(3,4-dichlorophenyl)acryla...-ME720301--5.328307.04348
N-[1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl...-ME720633--3.753276.1261
N1-(4-methylidene-3-thia-1-azaspiro[4.5]dec-2-ylid...-ME720507--6.687293.08379
N1-AcetylspermidineN1-AcetylspermidineME720368--7.538188.17557
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME720131--8.031204.08646
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME720125--3.717219.1337033
"N-{[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-y...-ME720284--5.93245.16059
N-[(2S)-2-Hydroxypropanoyl]methionine-ME720469--4.795222.0792
"N-{(2S,3R,4E)-3-Hydroxy-1-[(3-O-sulfo-beta-D-thre...-ME720537--5.435836.59463
"N-{4-[(2R,3R)-3-(Hydroxymethyl)-4-methyl-5-oxo-2-...-ME720360--6.899377.14514
N5-Ethyl-L-glutamineN(5)-Ethyl-glutamineME720560--3.796175.1076
N^5^-formyl-N^5^-hydroxy-L-ornithine-ME720302--6.853177.08683
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME720156--3.922205.1181167
"N(6),N(6)-Dimethyladenine"-ME720170--3.964164.09296
"N~6~,N~6~-Dimethyllysine"N(6),N(6)-Dimethyl-lysineME720500----
"N6,N6,N6-Trimethyl-L-lysine"N-6-TrimethyllysineME720566--8.632189.15956
N-Acetyl-beta-D-glucosaminylamineN-Acetyl-beta-glucosaminylamineME720181--4.561221.11295
N-Acetyl-?-D-glucosamineN-AcetylglucosamineME720670--5.263244.07889
N-Acetyl-L-carnosineN-AcetylcarnosineME720652--7.1247.13973
N-Acetyl-L-citrullineN-AcetylcitrullineME720399--4.715218.1133
N-Acetyl-L-histidineN-AcetylhistidineME720434--6.313198.0870733
N-Acetyl-L-methionineN-AcetylmethionineME720457--2.139192.06868
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME720379--0.696208.09655
N-AcetylornithineN-AcetylornithineME720517--6.619175.10757
N-Adenylylanthranilate-ME720310--4.676467.10891
N(alpha)-Benzyloxycarbonyl-L-leucineN-Benzyloxycarbonyl-L-leucineME720571--4.149266.13828
N-Amidino-L-glutamatealpha-Guanidinoglutaric acidME720150--7.501190.08203
Naphthalen-2-amine2-AminonaphthaleneME720440--4.561144.08069
N-Butyryl-L-homoserinelactoneN-Butyryl-L-homoserine lactoneME720346--0.915172.09651
N-CaffeoylputrescineN-CaffeoylputrescineME720348--6.925251.13867
NeopterinNeopterinME720195--5.086254.088
Nicotianamine(R,S,S)-NicotianamineME720154--5.547304.14987
NicotinamideNiacinamideME720405--0.958123.05533
Nicotinamide 1-oxide-ME720282--2.992139.05238
Nitrosoguvacoline-ME720321--6.126171.07626
N-lauroylglycineNAGly 12:0ME720370--0.711258.206025
NLK-ME720246--6.474189.12316
"N,N-Dimethyl-N-phenylurea"-ME720659--3.78165.10213
NP-003469-ME720573--7.513297.03416
NP-005146-ME720211--2.738257.11279
NP-012972-ME720621--6.716263.15981
NP-015114-ME720569--6.535262.12811
NP-015145-ME720435--6.054250.07953
NPYR-ME720241--6.67101.0713
N-RibosylnicotinamideNicotinamide ribosideME720205--5.524255.09717
N-Tridecanoylglycine-ME720361--0.779272.22157
N-UndecanoylglycineN-UndecanoylglycineME720270--0.8244.19038
O-adipoylcarnitineCAR DC6:0ME720502--0.75290.15922
OleoylethanolamideOleoyl-EAME720523--0.711326.30478
OseltamivirOseltamivirME720238--5.423313.21342
Ovothiol A-ME720614--7.477202.06424
Oxibendazole-ME720280--0.658250.11794
PalmitoylcarnitineCAR 16:0ME720470--3.244400.34153
Palmitoyl ethanolamidePalmitoyl-EAME720497--0.715291.77598
PantetheinePantetheineME720220--0.949279.13683
Pantothenicacid(VitaminB5)Pantothenic acidME720461--2.408220.1177133
PC-ME720477--3.477786.60013
"PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))"PC 18:3(9Z,12Z,15Z)/18:2(9Z,12Z)*ME720535--3.459780.55271
PC(o-16:1(9Z)/20:0)PC o-16:1(9Z)/20:0*ME720445--3.612774.63644
P-DMEAN,N-Dimethylethanolamine phosphateME720447--5.432152.04707
PEG-4-ME720207--0.966195.12249
PEG n10-ME720528--1.018476.30584
PEG n11-ME720554--1.036520.33201
PEG n6-ME720307--0.976300.20123
PEG n7-ME720550--0.984344.2274
Pentyl isothiocyanate-ME720543--6.814276.15501
Phenazone-ME720458--0.752189.10204
PhenylalanylprolinePhe-ProME720279--4.924263.13866
PhosphonoacetaldehydePhosphonoacetaldehydeME720455--7.334124.99962
PhosphonomycinFosfomycinME720133--6.95139.01531
PiperidinePiperidineME720232--3.78122.62293
PirbuterolPirbuterolME720338--6.025241.15432
Platelet-activating factor-ME720417--4.03524.37034
PLK-ME720243--8.576179.12827
PorphyrinPorphyrinME720375--6.103311.12813
prinoxodan-ME720548--3.413259.11861
ProclavaminicacidProclavaminic acidME720553--5.031203.10243
Pro-Hyp-ME720258--6.022229.11799
PromegestonePromegestoneME720402--0.703327.23128
PropionylcarnitineCAR 3:0ME720409--5.334218.1385
PyridoxaminePyridoxamineME720249--7.456169.09578
Pyridoxamine 5-phosphatePyridoxamine 5'-phosphateME720215--4.591249.06068
Pyrovalerone-ME720660--8.256246.1809
PyrrolePyrroleME720581--6.558109.07606
quizalofop-ME720339--5.855367.04586
Quwenzhi-ME720555--0.855216.15911
(R)-3-Amino-2-methylpropanoate-ME720231--3.552104.0709367
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME720190--5.949248.14892
RI2735000-ME720335--0.763155.10644
(S)-2-Acetolactate(S)-2-AcetolactateME720538--5.09133.04949
(S)-4-Amino-5-oxopentanoate-ME720420--6.453132.0655
(S)-4-Hydroxymandelonitrile4-HydroxymandelonitrileME720344--0.707182.08102
SaccharopineSaccharopineME720163--8.332277.13906
S-AdenosylhomocysteineS-AdenosylhomocysteineME720501--6.655385.12824
S-AdenosylmethionineS-AdenosylmethionineME720183--8.792399.14401
(-)-Salsoline-ME720606--3.752194.11742
SalsolinolSalsolinolME720146--1.687180.10169
(S)-CarnitineCarnitineME720514--6.141203.13888
Secnidazole-ME720570--7.008186.08715
SecogaliosideSecogaliosideME720139--4.162421.13363
Selsun-ME720308--5.331112.89594
ser-argSer-ArgME720214--8.299262.15063
Ser-SerSer-SerME720230--7.425193.08178
S-FormylglutathioneS-FormylglutathioneME720260--7.351336.08673
SildenafilSildenafilME720533--7.766475.20908
[Similar to: 2-[3-chloro-2-hydroxy-4-methoxy-6-(me...-ME720386--0.713410.34702
"[Similar to: 2-[(4-chlorophenyl)sulfonyl]-N,N-dim...-ME720199--1.378300.20126
"[Similar to: 3-[5,7-dihydroxy-2-(4-hydroxyphenyl)...-ME720526--4.64243.18256
[Similar to: 3-Methylhistamine; ?Mass: 46.0035 Da]-ME720276--4.703172.1061
[Similar to: (4-benzoylpiperidino)[4-(tert-butyl)p...-ME720540--0.991388.2535
[Similar to: ARH; ?Mass: -137.0850 Da]-ME720527--7.989491.25275
[Similar to: ARH; ?Mass: -178.0605 Da]-ME720610--7.649205.15447
[Similar to: N1-pyrazin-2-yl-4-chlorobenzamide; ?M...-ME720508--0.971239.14856
[Similar to: N-Acetylneuraminic acid; ?Mass: -22.1...-ME720179--7.611287.94092
(S)-Methylmalonatesemialdehyde(S)-Methylmalonic acid semialdehydeME720468--7.49120.0656
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME720597--7.335258.10968
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME720638--6.868216.06293
(S)-NicotineNicotineME720383--4.599366.26661
spinacine-ME720467--7.516335.14557
StachydrineStachydrineME720466--6.688155.4527967
streptonigrinStreptonigrinME720424--4.787507.15037
StyreneStyreneME720506--0.756122.09648
sulnidazole-ME720429--7.446259.08571
TaurineTaurineME720255--4.465126.021985
TBTC-ME720583--6.018327.08986
Teneligliptin-ME720176--5.144427.22938
Tetramethylene sulfoxide-ME720395--0.857105.03716
thr-argThr-ArgME720201--8.091276.16627
ThreonineThreonineME720582--3.569120.06564
ThreonylglutamineThr-GlnME720251--6.857231.09727
threonylphenylalanineThr-PheME720325--5.293267.13356
THTA2-Tetrahydrothiopheneacetic acidME720217--2.327164.07379
Tolycaine-ME720194--4.088279.16988
tranexamic acidTranexamic acidME720584--5.432158.11743
trans-3-Indoleacrylic acid-ME720237--4.7180.74072
TrigonellineTrigonellineME720620--4.651138.05481
TroxipideTroxipideME720625--4.8295.16486
Trp-PheTrp-PheME720532--3.72352.16505
TyramineglucuronideCoenzyme Q10ME720363--4.088314.12195
TyrosylalanineTyr-AlaME720314--3.654168.5813
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME720132--8.029608.08802
"Uracil - C13,N15"-ME720247--1.47116.03214
Urocanic acidUrocanic acidME720193--2.408139.05008
US4550000-ME720443--6.313159.41683
val-argVal-ArgME720475--7.487274.18688
valganciclovirValganciclovirME720572--2.449355.17187
Val-LeuVal-LeuME720626--4.787231.17005
Val-MetVal-MetME720577--5.077249.12644
Valyl-4-hydroxyproline-ME720134--3.781231.13382
ValylvalineVal-ValME720446--5.007217.15448
XanthineXanthineME720168--3.393153.040545
XanthosineXanthosineME720144--3.841296.07348
Xanthoxin;Methoxsalen-ME720542--0.762251.16377
ZalcitabineZalcitabineME720485--5.848212.1026733
ZearalenoneZearalenoneME720304--5.017319.15358
(Z)-thiofanox-ME720378--6.875219.11667


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
"12-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-6,6,8a...-ME720915--5.144501.17777
12-Hydroxydodecanoicacid12-Hydroxy lauric acidME720700--0.832215.1651
"1-(3,4-Dimethoxyphenyl)-3,5-decanediyl diacetate"-ME720930--0.895393.22899
1_3_5-trimethoxybenzene-ME720933--0.826167.07067
"1,3-Nonanediol acetate"-ME720723--0.824201.14924
"1-(5,6-Dihydro-7H-[1,3]benzodioxolo[6,5,4-de]benz...-ME720842--4.962304.09763
1_5-Anhydro-D-mannitol-ME720697--3.116163.06049
1_6_6-Trimethyl-2_7-dioxabicyclo[3.2.2]nonan-3-one-ME720680--0.719183.10207
1-alpha-D-Galactosyl-myo-inositol-ME720687--6.391377.08604
1D-chiro-inositol1D-chiro-InositolME720684--6.175239.07719
1-Deoxy-D-altro-heptulose7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME720765--7.018273.03835
1-Deoxy-L-mannitol-ME720706--3.061165.07607
1D-myo-Inositol3-phosphateInositol 3-phosphateME720751--7.663259.02269
1F-beta-D-Fructosylsucrose-ME720860--7.205563.18353
"1-Methyl-3,6-(1H,2H)-pyridazinedione"-ME720816--0.861125.03459
1-Methyladenine1-MethyladenineME720724--4.621148.06208
1-Methylhistidine1-MethylhistidineME720887--6.231168.077165
"(1R,5S,6R,7R,9S,11S,12S,13S,14S)-3-Amino-14-methy...-ME720865--6.811302.09973
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid-ME720788--7.719236.02337
2_2'-Iminodipropanoate-ME720771--5.302160.060745
2_4_6/3_5-Pentahydroxycyclohexanone-ME720914--0.886177.03982
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyran...2,4-Diacetamido-2,4,6-trideoxy-alpha-mannoseME720963--7.131245.11428
"2,4-Diamino-6-nitrotoluene"-ME720868--6.1166.06143
"2,5-Dimethyl-4-ethoxy-3(2H)-furanone"-ME720686--0.748155.07058
2_6-Diaminoheptanedioicacid2,6-Diaminopimelic acidME720856--6.727189.08756
2-(Acetamidomethylene)succinate-ME720922--6.644186.0403
2-(acetylamino)-4-(methylthio)butanoic acid-ME720820--3.221190.052145
2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphateME720871--7.397333.05968
2-Aminomuconate2-Aminomuconic acidME720854--5.045313.06777
2-(beta-D-Glucosyl)-sn-glycerol-ME720863--3.472253.09305
2-coumarate-ME720818--0.888163.03931
"2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine"-ME720896--6.23166.09784
2-Ethylhexyl sulfate-ME720780--0.588209.08499
2-Hydroxy-3-(4-hydroxyphenyl)propenoate-ME720878--0.864179.03437
"2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol"-ME720715--5.446176.09222
2-methoxyacetaminophen sulfate2-Methoxyacetaminophen sulfateME720766--0.564260.02366
2-Methylhippuricacid2-Methylhippuric acidME720833--0.706192.06613
2-(Methylsulfonyl)-3-(pyrazin-2-ylamino)acrylonitr...-ME720873--0.711223.02813
2-Naphthalenesulfonic acid-ME720813--0.728207.01177
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate-ME720917--0.754181.08645
2-Oxooctadecanoicacid2-Oxo-octadecanoic acidME720950--0.717279.23327
(2S)-2-[(1-Carboxyethyl)amino]-4-(dimethylsulfonio...-ME720712--0.867234.08047
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate-ME720738--3.435188.09227
(2S_3R)-3-Hydroxybutane-1_2_3-tricarboxylate-ME720888--5.911205.03507
"(2S)-4-(Methylsulfanyl)-2-({[(3S,4S,5R)-2,3,4-tri...-ME720755--5.97310.09704
2-Sulfosuccinic acid-ME720819--7.545196.97566
"3-(1-cyano-1,2-dihydroisoquinolin-2-yl)-3-oxoprop...-ME720942--0.691283.10899
"3-(2-hydroxyethyl)-1,2,3,4-tetrahydrothieno[3,2-d...-ME720789--0.794211.01798
"3,4-dihydroxyglutamic acid"-ME720943--4.458178.0364
3_4-Dihydroxyphenylethyleneglycol-ME720894--0.902169.04992
3_5-Dihydroxy-phenylglycine-ME720801--0.836182.04533
3-Amino-3-(4-hydroxyphenyl)propanoatebeta-TyrosineME720807--0.727180.066
3'-CMP3'-CMPME720707--7.72322.04488
3-Hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]pr...-ME720831--7.557266.95845
3-Hydroxy-4-methylanthranilate-ME720729--1.309166.05019
3-Hydroxynonanoic acid-ME720679--0.87173.11757
3-Methylcrotonylglycine3-MethylcrotonylglycineME720938--5.069156.06584
3-Pyridylacetic acid3-Pyridylacetic acidME720791--1.868136.03935
4-Acetamido-2-amino-6-nitrotoluene-ME720920--5.849208.07247
4-Acetamidobenzoic acid4-Acetamidobenzoic acidME720757--2.58178.05032
4-Amino-2-methyl-5-phosphomethylpyrimidine4-Amino-2-methyl-5-phosphomethylpyrimidineME720769--6.506218.03295
4-chloro-1H-indazol-3-amine-ME720844--3.706166.01718
4-Hydroxy-3-methoxyphenylglycolsulfate;MHPG-sulfat...-ME720830--0.81263.02341
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTA...NNAL-N-oxideME720725--5.739338.09744
4-Nitroacetophenone4-NitroacetophenoneME720776--3.114164.03457
4-Nitrocatechol sulfate-ME720758--2.291233.97243
4-Nitrophenyl-3-ketovalidamine-ME720995--6.913295.09383
4-Oxoproline4-Oxo-prolineME720705--5.538134.03784
(4S)-4_6-Dihydroxy-2_5-dioxohexanoate-ME720699--6.328175.02416
5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinoline-ME720695--2.563190.05048
"5,9-Dihydroxy-10-methoxy-11-methylfuro[2,3-c]acri...-ME720805--5.058310.07307
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME720785--6.886253.05013
5-methylthiopentanaldoxime5-MethylthiopentanaldoximeME720736--6.713146.06422
5'-Oxoinosine-ME720811--5.794281.05178
5-Phosphonooxy-L-lysine-ME720798--8.404241.05946
5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-...-ME720976--4.254261.12809
6_7-Dimethyl-8-(1-D-ribityl)lumazine-ME720857--7.044325.11575
6-Acetamido-3-aminohexanoate-ME720947--5.285187.108305
6-Hydroxymelatonin6-HydroxymelatoninME720984--4.598247.11227
6-Pyruvoyltetrahydropterin-ME720852--3.452236.078915
7-deoxyloganetin-ME720898--0.818211.09731
8_11_14-EicosatrienoicacidDihomo-gamma-linolenic acidME720958--0.707305.24895
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME720704--5.031300.10669
8-Hydroxyclomipramine-ME720827--5.053389.16348
8-Oxocoformycin-ME720731--6.416281.08814
9_12-Dioxododecanoicacid9,12-Dioxo-dodecanoic acidME720799--0.817227.12878
"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 acidME720912--0.848237.11322
9-Hydroxy-10-undecenoic acid(S)-9-Hydroxy-10-undecenoic acidME720689--0.775199.13357
AbieticacidAbietic acidME720937--0.712301.2176
AdenineAdenineME720786--2.325134.04616
AdenosineAdenosineME720803--2.65266.08978
ala-metAla-MetME720968--5.155219.08053
Ala-Tyr(Alanyltyrosine)-ME720927--4.826251.1038667
AllopurinolAllopurinolME720737--2.849135.03012
alpha-Asp-ala-ME720826--7.665203.066955
alpha-L-Arabinose-ME720817--5.441209.06638
?-Aminobutyric acid (GABA)gamma-Aminobutyric acidME720682--6.503102.054835
AminoDHQAminoDHQME720678--4.168188.05589
AniracetamAniracetamME720928--0.723218.082
AnserineAnserineME720806--8.516239.11496
anticapsin-ME720872--6.23443.16648
APM-ME720825--7.209174.07648
Arachidonic acidArachidonic acidME720973--0.707303.23327
Ascorbicacid-2-sulfate-ME720916--6.447254.98182
Aspartyl-PhenylalanineAsp-PheME720992--6.456279.09893
Benzoic acidBenzoic acidME720708--0.719128.233068
Benzyl2-methyl-3-oxobutanoateBenzyl 2-methyl-3-oxobutanoateME720961--0.769205.08672
beta-Aspartylaspartic acid-ME720983--8.225247.05726
beta-Glycerophosphoricacidsn-Glycero-2-phosphateME720866--5.383194.008685
(+)-Bornane-2_5-dioneBornane-2,5-dioneME720913--0.735165.09138
(-)-BorneolBorneolME720879--0.703307.26457
ButylparabenButylparabenME720881--0.842193.08661
(+)-calycanthidine-ME720861--0.789359.22343
CarbocysteineS-Carboxymethyl-cysteineME720934--3.532178.0173
carglumic acidCarglumic acidME720787--7.853189.05119
CholinephosphateCholine phosphateME720691--6.684182.05819
CholinesulfateCholine sulfateME720719--4.943182.04867
cis-Aconiticacidcis-Aconitic acidME720716--5.55173.008495
clazolam-ME720711--5.515311.09463
Clostebol acetate-ME720728--4.634363.17337
ConiferylalcoholConiferyl alcoholME720900--0.778179.0708
CreatineCreatineME720744--6.107130.0611
Cyclopenol-ME720747--5.512309.08788
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine-ME720815--4.624242.07824
D-Ala-D-AlaD-Alanyl-D-AlanineME720935--6.698159.0767
D-ArabinonateArabinonic acidME720795--5.525279.03301
D-ArabitolArabitolME720890--4.884151.06034
D-ArginineD-ArginineME720756--8.412173.10372
DeoxycytidineDeoxycytidineME720739--5.731226.08319
Desmethyl Lacosamide-ME720987--4.535235.108785
Dexamisole-ME720847--0.695203.06435
D-(-)-FructoseFructoseME720949--5.162179.0555033
D-(-)-GlutamineD-GlutamineME720733--6.674145.06088
D-Iditol-ME720677--5.481181.07121
Dihydrouridine5,6-DihydrouridineME720967--6.443245.07801
Dimefox-ME720883--5.524153.05968
Dimethylaminopropionylphenothiazine-ME720778--0.694297.10696
DL-Arginine-6C13-ME720720--8.401179.12387
DL-Lactic Acid-ME720693--5.19589.02314667
DL-?-LeucineLeucineME720809--4.912130.0863
DL-Phenylalanine-6C13-ME720759--4.631170.09101
D-myo-Inositol1_2-cyclicphosphateInositol cyclic phosphateME720767--6.908241.01187
Docosahexaenoic AcidDocosahexaenoic acidME720974--0.71327.23332
Dopamine3-O-sulfateDopamine 3-O-sulfateME720750--1.879232.02819
D-(+)-TryptophanD-TryptophanME720792--4.504203.08218
D-Xylulose 5-phosphateXylulose 5-phosphateME720685--7.285214.0063125
EDDA-ME720911--6.984175.07175
EPINEPHRINE 4-SULFATE-ME720880--4.298262.03941
ErythritolErythritolME720694--3.364121.04956
[FA(18:0)]12R_13S-epoxy-9Z-octadecenoicacid-ME720972--0.721277.21758
[FA(18:1)]9Z-Octadecen-12-ynoicacid-ME720971--0.718277.21755
[FA(18:4)]6Z_9Z_12Z_15Z-octadecatetraenoicacidStearidonic acidME720929--0.717275.20198
[FA(20:0)]11Z-eicosenoicacidcis-Gondoic acidME720793--0.703309.28012
[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicaci...-ME720748--6.579174.03999
[FAdihydoxy(2:0/2:0)]6_9S-epoxy-11R_15S-dihydoxy-5...-ME720926--0.863351.21814
[FAhydroxy(4:0)]N-(3S-hydroxy-butanoyl)-homoserine...-ME720703--0.906168.06593
[FAhydroxy_oxo(7:0/2:0)]4-hydroxy-2-oxo-Heptanedio...4-Hydroxy-2-oxo-heptanedioic acidME720701--5.108189.03993
Fludorex-ME720790--5.053232.09526
formyl-isoglutamine-ME720824--5.787173.05614
Fortimicin AP-ME720709--4.939333.2132
Gabexate-ME720994--4.408320.16194
gamma-Glu-glngamma-GlutamylglutamineME720779--5.49274.10492
gamma-Glutamyl-gamma-aminobutyraye-ME720884--5.338231.09854
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME720932--8.589216.1351
gamma-thiomethyl glutamate-ME720977--3.773192.03308
geranyl phosphate-ME720782--5.047233.0948
Ggamma-L-Glutamyl-L-glutamicacid-ME720953--6.685275.08888
glu-aspGlu-AspME720957--6.722261.0731
Glucose 1-phosphateGlucose 1-phosphateME720696--8.447259.02267
Glu-GlyGlu-GlyME720874--7.508203.06693
Glu-MetGlu-MetME720978--6.913277.08663
glu-serGlu-SerME720897--7.761233.07783
glu-thrGlu-ThrME720892--7.353247.093605
glycyclamide-ME720906--3.899295.11247
GlycylglutamineGly-GlnME720904--7.169202.08294
Gly-DL-Phe-ME720991--4.688221.09298
Gly-HisGly-HisME720797--8.335211.08339
Gly-SerGly-SerME720858--7.223161.05597
GuanineGuanineME720742--4.022150.04122
GuanosineGuanosineME720763--4.789282.08463
GuvacineGuvacineME720681--0.923186.07666
H-DL-MET-DL-MET-OH-ME720962--4.342279.08453
HexanoylglycineHexanoylglycineME720843--2.562172.09727
Hexyl 2-furoate-ME720936--0.885391.21321
his-aspHis-AspME720772--6.505269.08812
his-glnHis-GlnME720746--6.504282.11973
HP1760000-ME720901--4.535341.11771
InosineInosineME720764--4.055267.07365
Inosinic acidIMPME720850--7.224347.04022
IsodomedinIsodomedinME720931--0.831391.21331
(-)-Isopiperitenone-ME720907--0.834209.11804
"Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropan...-ME720895--0.744239.09254
Itaconic acidItaconic acidME720672--4.021129.01833
L-(-)-AsparagineAsparagineME720832--7.237131.04523
L-Aspartic acidAspartic acidME720710--8.073132.02916
L-Carnitinamide-ME720882--8.724159.11312
L(+)-Citrulline;2-Amino-5-uredovalerate-ME720735--6.833174.08775
L-CystineCystineME720877--8.874239.01659
leu-aspLeu-AspME720988--6.776245.114305
LeucylasparagineLeu-AsnME720954--5.967244.1303533
leu-glnLeu-GlnME720946--5.974258.14619
leu-pheLeu-PheME720918--3.917277.15597
Leu-ValLeu-ValME720981--4.436229.15565
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME720875--4.034259.130125
L-Glutamic acidGlutamic acidME720727--7.116146.04485
L-HistidineHistidineME720851--6.101154.06134
L-HomocysteicacidHomocysteic acidME720794--6.773182.0123
L-PhenylalaninePhenylalanineME720837--4.63164.07093
"L-Serine, anhydride with 5′-adenylic acid (1:1)...-ME720714--4.699433.0881
L-serine phosphoethanolamine-ME720784--8.128227.04372
L-ThreonicacidThreonic acidME720754--4.054135.02999
Lumacaftor-ME720702--4.718451.11225
"LYSINOALANINE, (S,R)-"-ME720923--8.682232.13027
Margaric acidMargaric acidME720993--0.716269.24895
Marimastat-ME720998--4.584330.20394
mebutamate-ME720909--3.481231.13494
MEIQX-ME720886--6.239212.09478
Melonal-ME720951--0.71279.23321
Mesaconic acidMesaconic acidME720676--1.485129.01832
MethionylserineMet-SerME720975--5.748235.07576
Methyl alpha-aspartylphenylalaninate-ME720980--6.437293.11476
Methylsuccinic acidMethylsuccinic acidME720674--1.633131.03394
Metoxuran-ME720902--6.174227.05902
met-thrMet-ThrME720969--5.221249.09153
met-tyrMet-TyrME720997--4.432311.10753
MFCD00020424-ME720945--3.241311.140555
MFCD00025555-ME720698--5.124201.1240833
MFCD00037215-ME720925--7.347217.082705
MFCD00133175-ME720836--0.717267.23322
MFCD00153469-ME720777--0.884228.16038
N-(2_3-Dihydroxybenzoyl)-L-serine-ME720948--7.072240.05141
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME720849--6.449202.07175
N-(2-Amino-4-methylpentanoyl)glutamine-ME720965--5.847258.14622
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME720893--3.814229.1115633
"N~2~,N~6~-Bis(2,3-dihydroxybenzoyl)-L-lysinamide"-ME720876--6.677416.14523
N-[(2S)-2-Hydroxypropanoyl]methionine-ME720721--3.347220.06468
"N~4~-Carboxy-1-(beta-D-ribofuranosyl)-1H-imidazol...-ME720899--6.236273.08449
N5-Ethyl-L-glutamineN(5)-Ethyl-glutamineME720768--5.94173.09249
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME720800--6.245222.08146
N-(6-Aminohexanoyl)-6-aminohexanoate-ME720959--4.072243.1714
N(6)-[(Indol-3-yl)acetyl]-L-lysineN(6)-[(Indol-3-yl)acetyl]-lysineME720989--4.235302.15139
N8ONU3L3PG-ME720905--0.9224.1291
N-Acetyl-1-aspartylglutamic acid-ME720770--7.365303.08373
N-Acetyl-4-O-acetylneuraminate-ME720683--7.016350.10973
N-Acetyl-beta-D-galactosamine-ME720821--4.944256.05952
N-AcetylcystathionineN-AcetylcystathionineME720986--6.962263.07101
N-Acetyl-L-citrullineN-AcetylcitrullineME720921--6.935216.09872
N-Acetyl-L-histidineN-AcetylhistidineME720752--6.101196.07224
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME720814--0.698206.08181
N-alpha-AcetylargininePelargonidinME720944--6.301215.11473
NeopterinNeopterinME720812--5.098252.07399
N-Formyl-L-aspartateN-Formyl-aspartic acidME720828--6.72160.02437
nialamide-ME720783--0.923297.13462
Nicotianamine(R,S,S)-NicotianamineME720839--5.333302.13612
NP-021698-ME720941--4.041222.07699
N-Succinyl-L-glutamateN2-SuccinylglutamateME720885--7.261246.06199
N-UndecanoylglycineN-UndecanoylglycineME720753--0.87242.17615
Octahydrocoumarin-ME720834--0.78153.0913
Octylaldehyde-ME720675--0.859173.11768
Oleic acid-d17Oleic acidME720966--0.712298.35552
ophthalmic acidOphthalmic acidME720726--7.124288.12044
Ovothiol A-ME720956--6.957200.04957
Oxaloglutarate2-Oxaloglutaric acidME720853--4.95203.0194
OxidizedPhotinusluciferinOxidized Photinus luciferinME720722--5.522558.98958
PalmitoleicacidPalmitoleic acidME720924--0.721253.21751
PantetheinePantetheineME720979--0.921277.12296
Pantothenic acidPantothenic acidME720804--5.036218.10314
PC4959775-ME720823--0.697197.06032
phe-ilePhe-IleME720952--3.676277.15603
pirenoxine-ME720908--5.238307.03515
Primidolol-ME720970--3.484332.16203
PseudouridinePseudouridineME720760--4.658243.062295
p-Toluenesulfonic acid-ME720835--0.757171.01144
(-)-QuebrachitolPinitolME720774--3.044193.07128
(R)-3-(4-Hydroxyphenyl)lactate-ME720869--4.347181.04999
(R)-MalateD-Malic acidME720718--4.016133.0145
S-[(1Z)-N-Hydroxy-7-(methylsulfanyl)heptanimidoyl]...-ME720867--7.113293.09945
SaccharopineSaccharopineME720808--8.14275.12528
Secnidazole-ME720730--5.52184.0723
SedoheptuloseGlucoheptuloseME720773--6.506269.08806
ser-aspSer-AspME720891--7.852219.06203
ser-glnSer-GlnME720903--7.168232.09373
Ser-GluSer-GluME720732--4.793233.07786
Ser-SerSer-SerME720838--7.194191.06683
ser-thrSer-ThrME720870--6.893205.08262
[Similar to: 11-trans Leukotriene C4; ?Mass: -318....-ME720781--7.075305.97809
"[Similar to: 11(Z),14(Z)-Eicosadienoic acid; ?Mas...-ME720864--4.954199.02761
"[Similar to: 11(Z),14(Z)-Eicosadienoic acid; ?Mas...-ME720740--4.581199.02751
"[Similar to: (1S,4R,4aS,8aS)-1,2-Bis(hydroxymethy...-ME720690--1.76233.10294
[Similar to: 2-(acetylamino)-4-(methylthio)butanoi...-ME720919--3.174190.11756
"[Similar to: 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benz...-ME720940--2.899186.02251
[Similar to: D-(-)-Glutamine; ?Mass: 168.0515 Da]-ME720855--6.653313.113345
[Similar to: Docosahexaenoyl Ethanolamide; ?Mass: ...-ME720713--5.998254.01559
[Similar to: Docosahexaenoyl Ethanolamide; ?Mass: ...-ME720840--6.03190.01502
"[Similar to: Ethyl N?[({4?[(1E)?2?{4?[(1E)?2?(2,5...-ME720673--9.238203.0227
[Similar to: Guanosine 5'-diphospho-D-mannose; ?Ma...-ME720762--7.457362.05123
[Similar to: Guanosine 5'-diphospho-D-mannose; ?Ma...-ME720761--7.429362.05132
[Similar to: NP-019848; ?Mass: -353.2335 Da]-ME720741--2.888212.10206
[Similar to: Pantothenic acid; ?Mass: 0.0068 Da]-ME720848--5.07218.1102
"[Similar to: ?,?-Trehalose; ?Mass: -0.1417 Da]"-ME720822--5.994340.96724
[Similar to: Xanthine; ?Mass: 85.0163 Da]-ME720846--3.372236.04247
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME720734--6.686214.04825
Streptamine 4-phosphateStreptamine 4-phosphateME720910--6.762257.05462
TauropineTauropineME720717--3.85196.02806
ThreonylleucineThr-LeuME720982--5.153231.13495
threonylphenylalanineThr-PheME720985--4.601265.11962
tolfamide-ME720889--6.424194.04858
trans-Petroselinic acid-ME720862--0.71281.2489
TreosulfanTreosulfanME720845--4.574277.00553
TroxipideTroxipideME720955--4.251293.15114
Trp-PheTrp-PheME720990--3.703350.15151
Trp-TrpTrp-TrpME720829--5.064389.16364
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME720859--7.374606.07515
Undecanedioic acidUndecanedioic acidME720688--0.88245.139495
UplandicineUplandicineME720692--0.801356.17201
UracilUracilME720745--1.125111.01884
UridineUridineME720743--2.913243.06225
Uridine 5'-diphosphogalactose-ME720749--7.591565.04842
Val-MetVal-MetME720960--4.476247.11237
val-pheVal-PheME720964--3.976263.140405
ValylvalineVal-ValME720996--4.799215.13988
Versicolorin BVersicolorin BME720841--4.633399.07236
XanthineXanthineME720810--3.444151.02522
Xylenesulfonate-ME720939--0.739185.02715
XylitolXylitolME720775--5.093151.06034
ZalcitabineZalcitabineME720802--5.575210.0880925
ZonisamideZonisamideME720796--0.553211.01796


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