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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
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME268758---102.055
Buthionine sulfoximine-ME268943---102.055
Betaine aldehyde cationBetaineME268936---102.0913
Imipramine N-oxide-ME269061---102.0914
Triethylhexyammonium cation-ME269254---102.1277
Guanylurea-ME269044---103.0566
gamma-Amino-n-butyric acidgamma-Aminobutyric acidME269028---104.0706
L-2-Aminobutyric acid2S-Aminobutyric acidME269076---104.0706
N-MethylalanineN-MethylalanineME269167---104.0718
CholineCholineME268956---104.1069
BenzophenoneBenzophenoneME268931---105.0335
L-SerineSerineME269092---106.0499
SerineSerineME269226---106.0499
2-Amino-4-methylphenol-ME268782---106.0651
Lauric acid diethanolamide-ME269080---106.0863
4-(4-Aminophenoxy)aniline-ME268840---108.0444
3-Pyridinecarboxaldehyde3-PyridinecarboxaldehydeME268835---108.0477
N-MethylanilineN-MethylanilineME269168---108.0802
2-Acetylpyrrole2-AcetylpyrroleME268781---110.0602
3-Pyridinemthanol-ME268837---110.0606
N-.alpha.-(tert-Butoxycarbonyl)-L-histidine-ME269123---110.0713
D-erythro-Imidazolylglycerol phosphate-ME268980---111.0553
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME269221---112.0393
2'-DeoxycytidineDeoxycytidineME268787---112.0505
CidofovirCidofovirME268958---112.0505
Isocytosine2-Amino-4-hydroxypyrimidineME269066---112.0505
Cytidine 3'-monophosphate-ME268972---112.0506
HistamineHistamineME269056---112.0869
DL-Mevalonic acid lactone-ME269003---113.0596
1,3 CyclohexanedioneCyclohexane-1,3-dioneME268750---113.0597
2-Imino-4-methylpiperidine-ME268793---113.1073
D-XyluloseL-RibuloseME269012---115.0383
5,6-DihydrouracilDihydrouracilME268872---115.0502
4-Amino-4-methylpentanoic acid-ME268847---115.0693
Prolinamide-ME269206---115.0862
N-.alpha.-Acetyl-L-ornithineN-AcetylornithineME269126---115.0872
Benthiavalicarb-isopropyl-ME268926---116.0706
CaptoprilCaptoprilME268947---116.0706
N-Methyl-L-glutamic acidN-Methyl-glutamic acidME269172---116.0706
N-Methyl-L-threonine-ME269174---116.0706
Thioarginine-ME269242---116.0706
ProlineProlineME269207---116.0734
trans-4-Aminocyclohexanol-ME269247---116.1069
3-Dehydrocarnitine3-DehydrocarnitineME268815---116.1075
trans-2-Phenylcyclopropylamine-ME269245---117.066
Guanidinoacetic acidGuanidoacetic acidME269040---118.061
4-Aminobenzoic acidp-Aminobenzoic acidME268848---120.0444
ThreonineThreonineME269243---120.0653
HomoserineHomoserineME269058---120.0655
Nifuroxazide-ME269165---121.0284
4-Imidazoleacrylic acidUrocanic acidME268861---121.0396
Phenylacetaldehyde B-ME269189---121.0648
UreaUreaME269265---121.072
Diethyl sebacate-ME268986---121.1012
Dimethyl sebacate-ME268989---121.1012
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME269259---122.0803
Helicid-ME269045---123.0406
(+)-CatechinCatechinME268729---123.0474
Nicotinamide riboside cationNicotinamide ribosideME269163---123.0552
2-Acetylpyrazine2-AcetylpyrazineME268780---123.0553
NicotinamideNiacinamideME269162---123.0553
TaurineTaurineME269237---126.0219
3-Hydroxyacetaminophen-ME268818---126.0549
PiracetamPiracetamME269199---126.0552
5-Methylcytosine5-MethylcytosineME268882---126.0661
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME268880---126.0662
N-alpha-methylhistamine-ME269151---126.1025
1-Methylhistamine1-MethylhistamineME268764---126.1026
1,2,3-Benzenetriol1,2,3-TrihydroxybenzeneME268747---127.0389
3-Hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME268816---127.0389
4-Hydroxy-6-methyl-2-pyrone-ME268855---127.0406
4-Imidazoleacetic acidImidazoleacetic acidME268860---127.0502
MelamineMelamineME269099---127.0724
Alyssin-ME268905---128.0526
2,6-Diaminopimelic acid2,6-Diaminopimelic acidME268775---128.0706
Val-HisVal-HisME269269---128.0803
L-Hydroxyarginine-ME269088---128.0818
SimetonSimetonME269228---128.0818
Azocan-2-one-ME268923---128.1069
N-Acetyl-DL-leucine-ME269137---128.1069
5-Methyl-5,6-DihydrouracilDihydrothymineME268881---129.0658
L-GlutamineGlutamineME269085---130.0499
Pyroglutamic acidPyroglutamic acidME269219---130.0499
DL-Pyroglutamic acidPyroglutamic acidME269006---130.0595
isoquinolineIsoquinolineME269069---130.0651
D-Pipecolinic acidPipecolic acidME269011---130.0863
DL-Pipecolinic acidPipecolic acidME269005---130.0868
Citraconic acidCitraconic acidME268961---131.0326
2'-Hydroxy-6'-methoxyacetophenone-ME268790---131.0499
Cucurbitin-ME268969---131.0886
N-acetyl putrescineN-AcetylputrescineME269131---131.1178
N-Acetyl-L-alanineN-AcetylalanineME269144---132.0488
delta-Aminolevulinic acid5-Amino-levulinic acidME268979---132.0655
CreatineCreatineME268966---132.0767
(S)-1'-Methylnicotinium cation-ME268738---132.0784
N-Acetyl-D-norleucine-ME269139---132.1009
IsoleucineIsoleucineME269067---132.1019
N-Methyl-L-valineN-Methyl-valineME269175---132.1019
3-Aminohexanoic acid-ME268810---132.1026
4H-1-Benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)...-ME268853---133.0529
3-Ureidopropionic acidUreidopropionic acidME268839---133.0614
AsparagineAsparagineME268914---133.0624
OrnithineOrnithineME269184---133.0971
DL-NormetanephrineNormetanephrineME269004---134.0599
(S)-Mephenytoin-ME268739---134.0831
DL-Threonine methyl ester-ME269008---134.0847
Ethyldiethanolamine-ME269018---134.1175
1,3-Benzodioxole-5-ethanamine, .alpha.-cyclopropyl...-ME268751---135.044
Methanone, (1-butyl-1H-indol-3-yl)(4-methoxyphenyl...-ME269103---135.044
(-)-Perillyl alcoholPerillyl alcoholME268724---135.1168
4-Aminosalicylic acid-ME268850---136.0393
4-Hydroxybenzotriazole-ME268856---136.0481
2-Phenylacetamide2-PhenylacetamideME268797---136.0757
HypoxanthineHypoxanthineME269059---137.0457
2-Hydroxy-3-methoxybenzyl alcohol-ME268789---137.0597
3-Hydroxy-4-methoxybenzyl alcohol-ME268817---137.0661
3-Aminobenzamide3-AminobenzamideME268809---137.0686
2-Acetyl-3-methylpyrazine2-Acetyl-3-methylpyrazineME268779---137.0693
1-Methylnicotinamide1-Methyl nicotinamideME268766---137.0709
4-(Butylamino)benzoic acid4-(butylamino)benzoic acidME268841---138.0544
3-Acetoxypyridine-ME268806---138.0549
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME269135---138.0549
2-Pyridylacetic acid3-Pyridylacetic acidME268799---138.0555
N-Acetyl-p-fluoro-DL-phenylalanine-ME269149---138.0741
Phenylethanolamine B-ME269192---138.0913
cis-Aconitic acidcis-Aconitic acidME268960---139.0026
6,7-Dimethyltetrahydropterin-ME268887---140.0589
N-Carboxyethyl-.gamma.-aminobutyric acidN-Carboxyethyl-gamma-aminobutyric acidME269152---140.0706
5-Amino-2-methoxyphenol-ME268877---140.0814
o-PhosphocolaminePhosphoethanolamineME269183---142.0258
TropinePseudotropineME269260---142.1226
PregabalinPregabalinME269201---142.1227
Dimethocaine-ME268988---142.159
ectoineEctoineME269013---143.0815
N-(4-Piperidinyl)acetamide-ME269116---143.1152
1-Acetyl-3-piperidinamine-ME268756---143.1179
4-Methyl-5-thiazoleethanol?[M+H]+5-(2-Hydroxyethyl)-4-methylthiazoleME268864---144.0477
DL-2-Methylglutamic acidN-Methyl-glutamic acidME268997---144.0631
2-Aminoadipic acidalpha-Aminoadipic acidME268783---144.0655
1-Aminocyclohexanecarboxylic acid1-Azaniumylcyclohexane-1-carboxylateME268757---144.1019
N.alpha.-Methyl-L-lysineN(2)-Methyl-lysineME269127---144.1027
N,N,N-Trimethyl-5-[(tricyclo[3.3.1.1(3,7)]dec-1-yl...-ME269118---145.17
Quinolone2-HydroxyquinolineME269222---146.0577
VamidothionVamidothionME269270---146.0634
Indole-3-carboxaldehyde B-ME269063---146.0668
4-Acetamidobutyric acid4-Acetamidobutanoic acidME268845---146.0811
4-Guanidinobutyric acid4-Guanidinobutanoic acidME268852---146.0923
N-Methyl-L-leucine-ME269173---146.1167
(3-Carboxypropyl)trimethylammonium cation3-DehydroxycarnitineME268735---146.1175
N-MethylisoleucineN-MethylisoleucineME269171---146.1202
GlutamineGlutamineME269034---147.0787
LysineLysineME269095---147.1128
Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate-ME268985---148.0427
3-IndolemethanolIndole-3-carbinolME268825---148.0618
4-Hydroxy-L-isoleucine-ME268857---148.0972
Pyridoxal phosphatePyridoxal 5'-phosphateME269215---150.055
5,6-Dihydroxyindole-2-carboxylic acid5,6-Dihydroxyindole-2-carboxylic acidME268873---150.0558
PyridoxalPyridoxalME269214---150.0558
7-Methyladenine7-MethyladenineME268892---150.0773
(+/-)-CathinoneCathinoneME268733---150.082
2,2-Bis(hydroxymethyl)-3-quinuclidinone-ME268772---150.0913
2,2',2''-NitrilotriethanolTriethanolamineME268771---150.1125
3-Methoxytyramine3-MethoxytyramineME268826---151.0753
4-Methylbenzamide oxime-ME268865---151.0864
3-Methylbenzamide oxime-ME268827---151.0866
2-Methylbenzamide oxime-ME268795---151.0875
(-)-MyrtenalMyrtenalME268722---151.1109
Jasmine lactone-ME269071---151.1237
GuanineGuanineME269043---152.0567
XanthineXanthineME269273---153.0406
Methyl 4-hydroxybenzoateMethylparabenME269107---153.0552
2-Methyl-4-nitroaniline-ME268794---153.0655
3-Oxo-1,8-octanedicarboxylic acid-ME268834---153.0961
(+)-Dihydrocervone-ME268731---153.1269
FenchoneFenchoneME269020---153.1274
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME268819---154.0503
5-Aminosalicylic acid-ME268878---154.0523
4-Nitroanisole4-NitroanisoleME268866---154.0537
Guanidinopropionic acid-ME269041---154.0611
4,6-Diamino-5-formamidopyrimidineFAPy-adenineME268843---154.0723
N-AcetylhistamineN-AcetylhistamineME269142---154.0974
Gabapentin related compound A-ME269026---154.1226
Propanoic acid, 3-[[[2-[(aminoiminomethyl)amino]-4...-ME269210---155.0434
3-Methyluric acid3-Methyluric acidME268831---155.0527
(-)-Corey lactone diol-ME268721---155.0709
4-Hydroperoxy-2-nonenal-ME268854---155.1068
HistidineHistidineME269057---156.0767
N-Acetyl-epsilon-caprolactam (double check)-ME269140---156.1019
1-Naphthaldehyde1-NaphthaldehydeME268768---157.0747
4-Aminomethylcyclohexanecarboxylic acid-ME268849---158.1175
BetonicineBetonicineME268937---160.0968
N-Isovaleroylglycine-ME269166---160.0971
N-Acetyl-DL-valine-ME269138---160.105
Creatine, ethyl ester-ME268967---160.1063
Methacholine cationMethacholineME269102---160.1331
DL-2-Aminocaprylic acid-ME268995---160.1332
3,4-Methylenedioxy-.alpha.-pyrrolidinobutyrophenon...-ME268805---161.0621
2-Aminoquinolin-4-ol-ME268785---161.0761
Ala-AlaAla-AlaME268901---161.092
TryptamineTryptamineME269262---161.1161
N-MethyllysineN(6)-MethyllysineME269176---161.1284
N-(Benzoylglycyl)glycinamide-ME269117---162.0553
Benzamide, 4-(acetylamino)-N-(2-aminophenyl)--ME268927---162.0561
Indole-3-carboxylic acidIndole-3-carboxylic acidME269064---162.072
D-GlucosamineGlucosamineME268983---162.076
N-Methylglutamic acidN-Methyl-glutamic acidME269170---162.076
L-CarnitineCarnitineME269082---162.1124
3-Coumaric acid-ME268812---165.0585
4-Fluorobuphedrone-ME268851---165.0659
Fenuron1,1-dimethyl-3-phenyl-ureaME269022---165.0986
(+)-.alpha.-Tocopherolalpha-TocopherolME268728---165.1053
Methioninesulfoxide A-ME269104---166.0533
DacarbazineDacarbazineME268977---166.0723
BenzocaineBenzocaineME268930---166.0833
PhenylalaninePhenylalanineME269191---166.0863
N-(4-Hydroxyphenyl)propanamide-ME269115---166.0903
1-Methylxanthine1-MethylxanthineME268767---167.0563
3-Methylxanthine3-MethylxanthineME268832---167.0719
ApocyninApocyninME268910---167.076
(S)-Perillic acidPerillic acidME268740---167.1067
4-Hydroxyphenylglycine4-HydroxyphenylglycineME268858---168.0625
Gallacetophenone-ME269027---169.0495
PyridoxaminePyridoxamineME269216---169.0947
Geranic acidGeranic acidME269030---169.1326
DL-2-Fluorophenylglycine-ME268996---170.0577
1-Methyl-L-histidine1-MethylhistidineME268765---170.0923
3-Methylhistidine3-MethylhistidineME268830---170.0923
6-tert-Butyl-2H-1,2,4-triazine-3,5-dione-ME268889---170.0924
L-Arginine, methyl ester-ME269079---172.1073
NG,NG-Dimethyl-L-arginineDimethylarginineME269161---172.108
GabapentinGabapentinME269025---172.1315
Gly-ProGly-ProME269039---173.0902
Ethyl 4-amino-1-piperidinecarboxylate-ME269017---173.1285
Sulfanilic acid-ME269234---174.0219
4-Quinolinecarboxylic acid4-Quinolinecarboxylic acidME268869---174.0555
1-(Benzo[d][1,3]dioxol-4-yl)-2-(ethylamino)propan-...-ME268746---174.0906
N5-(1-Iminoethyl)-L-ornithine-ME269129---174.1237
(+)-Muscarine cation-ME268732---174.1489
5-Nitroso-8-quinolinol-ME268884---175.0478
D-(+)-ArabitolArabitolME268974---175.0578
1-Pentanone, 1-(3,4-dihydroxyphenyl)-2-(1-pyrrolid...-ME268770---175.0713
ArginineArginineME268912---175.119
(-)-Sulforaphene-ME268726---176.0199
Guanidinosuccinic acidGuanidinosuccinic acidME269042---176.0668
3-Indoleacetic acidIndoleacetic acidME268824---176.0711
CitrullineCitrullineME268963---176.103
CarisoprodolCarisoprodolME268949---176.1309
Vitamin CVitamin CME269271---177.0396
trans-Ferulic acidtrans-Ferulic acidME269248---177.0546
2-[(4-Aminobenzoyl)amino]acetic acid-ME268777---177.065
CotinineCotinineME268965---177.1018
SerotoninSerotoninME269227---177.1076
D-Gluconic acidGluconic acidME268982---179.055
PhenanthrenePhenanthreneME269188---179.0825
trans-Nicotine-1'-oxide-ME269249---179.1173
Tri(ethylene glycol) monoethyl ether-ME269251---179.1242
Hippuric acidHippuric acidME269053---180.0655
5-Acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME268874---181.0742
Pyridostigmine cation-ME269213---181.0971
TyrosineTyrosineME269264---182.0798
L-TyrosineTyrosineME269094---182.0811
EtilefrineEtilefrineME269019---182.1282
3,4-Dimethoxybenzoic acid3,4-Dimethoxybenzoic acidME268803---183.0658
Triethyl phosphateTriethyl phosphateME269253---183.0774
4-PYRIDOXATE4-Pyridoxic acidME268868---184.0604
PhosphocholineCholine phosphateME269194---184.0734
1-O-octyl-2-O-(N-methylcarbamoyl)-sn-glyceryl-3-ph...-ME268769---184.0735
Benzeneethanamine, 4-chloro-.alpha.-ethyl--ME268929---184.095
5-Acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME268875---185.0688
Barbital5,5-Diethylbarbituric acidME268925---185.0921
ChamazuleneChamazuleneME268955---185.1395
N-Acetyl-.beta.-D-mannosamineN-Acetyl-mannosamineME269132---186.0768
p-Hydroxybenzoylecgonine-ME269195---186.1125
TributylamineTributylamineME269252---186.2216
7-Aminodesacetoxycephalosporanic acid-ME268891---187.0586
MafenideMafenideME269096---187.0589
4-Isoxazolepropanoic acid, .alpha.-amino-2,3-dihyd...-ME268862---187.0713
Pro-AlaPro-AlaME269202---187.1391
L-TryptophanTryptophanME269093---188.0706
N8-AcetylspermidineN8-AcetylspermidineME269130---188.1757
N-tert-Butoxycarbonyl-b-nornicotryine-ME269179---189.0621
4,6-O-Ethylidene-.alpha.-D-glucopyranoside-ME268844---189.0735
1-Isonicotinoyl-4-piperidinylamine-ME268762---189.0859
N.alpha.-Acetyl-L-lysineN(2)-AcetyllysineME269125---189.1234
N-epsilon-AcetyllysineN6-AcetyllysineME269159---189.1244
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME269158---189.1597
.alpha.-Cyano-4-hydroxycinnamic acid-ME268741---190.0449
Kynurenic acidKynurenic acidME269074---190.0498
CastanospermineCastanospermineME268951---190.107
L-HomocitrullineHomocitrullineME269087---190.1186
Chromone-3-carboxylic acidChromone-3-carboxylic acidME268957---191.0404
Metoprolol acid-ME269109---191.0665
3,4,2',4',6'-Pentamethoxychalcone-ME268801---191.0705
DL-Benzylsuccinic acid-ME268998---191.0736
Z-Ligustilide-ME269275---191.107
Jasmonic acidJasmonic acidME269072---193.1223
CaffeineCaffeineME268945---195.0889
1,7-Dimethyluric acid1,7-Dimethyluric acidME268752---197.0669
S-Methyl-3-thioacetaminophen-ME269230---198.0699
N-AcetylhistidineN-AcetylhistidineME269143---198.0873
S-SulfocysteineCysteine-S-sulfateME269232---201.9838
D-FructoseFructoseME268981---203.0526
D-(+)-MannoseMannoseME268975---203.0576
Ala-IleAla-IleME268902---203.1391
N,N-DimethylarginineDimethylarginineME269120---203.1502
Acetyl-L-carnitineCAR 2:0ME268899---204.1225
AcetylcarnitineCAR 2:0ME268898---204.1231
TryptophanTryptophanME269263---205.0972
Xanthurenic acidXanthurenic acidME269274---206.0448
DL-Indole-3-lactic acidIndolelactic acidME269000---206.0812
N-CinnamoylglycineCinnamoylglycineME269156---206.098
3-HydroxykynurenineHydroxykynurenineME268821---208.0605
N-AcetylphenylalanineN-AcetylphenylalanineME269150---208.1004
MiglitolMiglitolME269110---208.1181
DL-Lanthionine-ME269002---209.0592
KynurenineKynurenineME269075---209.0921
ChalconeChalconeME268954---209.0956
3,4-Dimethoxycinnamic acid3-(3,4-Dimethoxyphenyl)-2-propenoic acidME268804---209.102
Tetraethylene glycol monomethyl ether-ME269239---209.127
Citric acidCitric acidME268962---210.0609
2,3-Dideoxycytidine-ME268773---212.103
MethoxamineMethoxamineME269106---212.1306
DL-Kavain-ME269001---213.0733
His-GlyHis-GlyME269054---213.0982
N-.alpha.-Acetyl-L-arginineN-AcetylarginineME269124---217.1295
2-Hydroxyhippuric acidSalicyluric acidME268792---218.0424
L-PropionylcarnitineCAR 3:0ME269090---218.1387
3-Hydroxysebacic acid3-Hydroxysebacic acidME268823---219.1227
N-Phenylacetyl-L-homoserine lactone-ME269178---220.0973
Pantothenic acidPantothenic acidME269186---220.1179
trans-Zeatintrans-ZeatinME269250---220.1188
5-Hydroxytryptophan5-Hydroxy-tryptophanME268879---221.0921
CystathionineCystathionineME268970---223.0748
Hexamethylcyclotrisiloxane-ME269051---223.075
CytosineCytosineME268973---223.0938
rac-.alpha.-Methylkynurenine-ME269223---223.1063
TetraglymeTetraglymeME269240---223.1589
N-Acetyl-L-tyrosineN-AcetyltyrosineME269146---224.0912
N-Acetyl-D-galactosaminitolN-Acetyl-D-galactosaminitolME269134---224.1131
NCGC00169887-02!2-(2-acetyl-3-hydroxy-5-methoxyphe...-ME269153---225.0753
NCGC00380609-02!4,8-dihydroxy-6-methoxy-3-methyl-3...-ME269154---225.0756
PHIP-ME269193---225.11
ButalbitalButalbitalME268942---225.1105
PyroGlu-Pro-ME269218---227.1026
CarnosineCarnosineME268950---227.1138
CreatinineCreatinineME268968---227.125
Butocarboxim sulfoxide-ME268944---229.0473
Proline-hydroxyprolinePro-hydroxyProME269208---229.1183
PyroGlu-ValPyroGlu-ValME269220---229.1183
Pro-LeuPro-LeuME269204---229.1546
N,N-Dimethyldodecylamine N-oxideN,N-Dimethyldodecylamine N-oxideME269121---230.2478
Acetaminophen sulfateParacetamol sulfateME268896---232.0278
Arg-GlyArg-GlyME268911---232.1251
(R)-ButyrylcarnitineCAR 4:0ME268737---232.1543
PyroGlu-Cys-ME269217---233.0632
Imazapic-ME269060---234.0849
SitagliptinSitagliptinME269229---235.0788
His-ProHis-ProME269055---235.1191
BetaineBetaineME268935---235.1652
2-[(2,6-Dimethylphenyl)amino]-N,N,N-triethyl-2-oxo...-ME268776---235.1785
Benzedrone-ME268928---236.1493
6-BiopterinBiopterinME268888---238.0934
KetamineKetamineME269073---238.0997
3,4,5-Trimethoxycinnamic acid3,4,5-Trimethoxycinnamic acidME268802---239.089
GlycyltyrosineGly-TyrME269038---239.1109
Pentaethylene glycolPentaethylene glycolME269187---239.1489
7,8-Dihydro-L-Biopterin-ME268890---240.1091
CystineCystineME268971---241.0311
PolydatinPiceidME269200---241.0966
2-Furanpropanoic acid, 3-carboxy-4-methyl-5-propyl...-ME268788---241.1067
AnserineAnserineME268909---241.1295
Heptanedioic acid, 1-(2-cyclopentylidenehydrazide)-ME269047---241.1546
2-Hydroxyatrazine-ME268791---242.0998
1-Hexadecylamine1-HexadecylamineME268759---242.2842
Pro-GlnPro-GlnME269203---244.1292
Gln-ProGln-ProME269032---244.1344
Pro-LysPro-LysME269209---244.1656
DL-CystathionineCystathionineME268999---245.0568
UridineUridineME269266---245.0744
Valeroyl salicylate-ME269268---245.0744
Piceatannol B-ME269196---245.0761
BiotinBiotinME268938---245.0921
2,4-Pyrimidinediamine, 5-[[3-methoxy-4-[(4-methoxy...-ME268774---245.0992
Isovaleryl-L-carnitineCAR 4:0;3MeME269070---246.17
OctopineOctopineME269181---247.1401
Asp-AsnAsp-AsnME268916---248.0877
Malonyl-L-carnitineCAR DC3:0ME269097---248.1128
3-HydroxybutyrylcarnitineCAR 4:0;3OHME268820---248.1492
Propylphosphonic acid-ME269211---249.0609
Asp-AspAsp-AspME268917---249.0755
N-(4-Aminobenzoyl)-L-glutamic acid-ME269114---249.0842
Dipropyl phthalateDipropyl phthalateME268993---251.1214
2'-DeoxyadenosineDeoxyadenosineME268786---252.109
(.+/-.)-Camphor-10-sulfonic acid-ME268727---255.0685
N-Methylbentazon-ME269169---255.0838
TripelennamineTripelennamineME269256---256.1754
Androstane-3,17-diol, (3.alpha.,5.alpha.,17.beta.)...-ME268908---257.2263
N-Z-L-Homoserine lactone-ME269180---258.074
2'-O-Methylcytidine2'-O-MethylcytidineME268796---258.1085
3-Methylcytidine3-MethylcytidineME268828---258.1093
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME269231---258.1104
Lauric isopropanolamide-ME269081---258.2299
FlucytosineFlucytosineME269023---259.0775
5-MethyluridineRibothymidineME268883---259.0914
5-Amino-1-.beta.-D-ribofuranosyl-1H-imidazole-4-ca...-ME268876---259.1038
D-Glucosamine-6-phosphateGlucosamine 6-phosphateME268984---260.0531
Hexanoyl-L-carnitineCAR 6:0ME269052---260.1859
Gln-AsnGln-AsnME269031---261.1295
gamma-Glutamylleucinegamma-GlutamylleucineME269029---261.1444
.alpha.-L-Asp-L-LysAsp-LysME268742---262.1398
(2R)-3-HydroxyisovaleroylcarnitineCAR 4:0;OH,MeME268734---262.1649
.beta.-Carboline-1-propionic acid-ME268743---263.0738
Asp-GluAsp-GluME268918---263.0885
3-Deazaneplanocin A-ME268814---263.1102
MethohexitalMethohexitalME269105---263.1318
Thiamine cationThiamineME269241---265.1118
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME269190---265.1187
MirtazapineMirtazapineME269111---266.1598
NevirapineNevirapineME269160---267.1211
8-Oxo-2-deoxyadenosine8-Oxo-2'-deoxyadenosineME268895---268.1039
Heptadecasphing-4-enineC17 SphingosineME269046---268.2636
Formononetine-ME269024---269.0786
Allopurinol ribosideAllopurinol ribosideME268904---269.0896
MoclobemideMoclobemideME269112---269.1185
Methylpalmitoleate-ME269108---269.2475
4,5,7-TrihydroxyisoflavoneGenisteinME268842---271.0501
Asp-HisAsp-HisME268921---271.1037
Myristoyl ethanolamideMyristoyl-EAME269113---272.2584
(-)-N-Acetylneuraminic acidN-Acetylneuraminic acidME268723---274.0935
TrigonellineTrigonellineME269255---275.1026
Dikegulac acid-ME268987---275.1105
(+)-ChlorpheniramineChlorphenamineME268730---275.1256
L-GlutarylcarnitineCAR DC5:0ME269086---276.1442
.gamma.-L-Glu-.epsilon.-L-Lys-ME268745---276.1554
TebupirimfosTebupirimfosME269238---277.0795
Tanshinone I-ME269236---277.0894
L-SaccharopineSaccharopineME269091---277.139
Triphenylphosphine oxide-ME269257---279.0951
3-Amino-2,3-dihydrobenzoic acid-ME268808---279.1307
Di-n-butyl phthalateDibutyl phthalateME268991---279.1591
Glycerophosphocholinesn-Glycero-3-phosphocholineME269035---280.0921
DoxepinDoxepinME269010---280.1754
Asp-pheAsp-PheME268922---281.1125
Brefeldin ABrefeldin AME268941---281.1747
Linoleic acidLinoleic acidME269089---281.2483
1-Methyladenosine1-MethyladenosineME268763---282.1196
OleamideOleamideME269182---282.2792
6,2'-Dimethoxyflavone6,2'-DimethoxyflavoneME268886---283.1037
Hexaethylene glycolHexaethylene glycolME269050---283.1754
Hexadecyltrimethylammonium cation-ME269049---284.3311
Glu-HisGlu-HisME269033---285.1193
MesteroloneMesteroloneME269101---287.2369
Heptanedioic acid, 1-[2-[(2-carboxyphenyl)methylen...-ME269048---289.1165
Asp-ArgAsp-ArgME268915---290.1459
Adipoyl-L-carnitineCAR DC6:0ME268900---290.1597
3-MethylglutarylcarnitineCAR DC5:0;3MeME268829---290.1598
InosineInosineME269065---291.0691
Carbinoxamine-ME268948---291.1203
Argininosuccinic acidArgininosuccinic acidME268913---291.1299
3-Cyclopentene-1-octanoic acid, 2-(3-hydroxy-1-pen...-ME268813---291.1824
ImperatorinImperatorinME269062---293.0843
AnastrozoleAnastrozoleME268906---294.1585
TroxipideTroxipideME269261---295.161
DisulfiramDisulfiramME268994---297.0828
L-Cysteine-glutathione disulfideS-Glutathionyl-cysteineME269083---298.0526
5'-S-Methyl-5'-thioadenosine5'-MethylthioadenosineME268885---298.0974
N2-Methylguanosine2-MethylguanosineME269128---298.1143
3'-O-Methylguanosine3'-O-MethylguanosineME268833---298.1146
EnterolactoneEnterolactoneME269015---299.1201
17(18)-Epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid17(18)-EpETEME268754---301.2072
p-Tolyl-.beta.-D-glucuronide-ME269212---302.1234
Fenirofibrate-ME269021---303.0741
1-Hexadecylpyridinium cation-ME268760---304.2999
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME269133---305.0991
CetraxateCetraxateME268953---306.1729
CapsaicinCapsaicinME268946---306.2055
(4-Aminobutyl)phosphonic acid-ME268736---307.1123
NeohesperidoseNeohesperidoseME269157---309.1211
Nifenazone-ME269164---309.1306
N-Acetylneuraminic acidN-Acetylneuraminic acidME269147---310.113
PicrotinPicrotinME269197---311.1178
Eicosenoic acidEicosenoic acidME269014---311.2963
N,N-DimethylguanosineN2,N2-DimethylguanosineME269122---312.1305
N-Acetyl-L-carnosineN-AcetylcarnosineME269145---313.0894
N-Acetylneuraminic acid, 2,3-dehydro-2-deoxy--ME269148---314.0844
Decanoyl-L-carnitineCAR 10:0ME268978---316.2483
Asp-Gly-LysAsp-Gly-LysME268920---319.1612
12-epi-Leukotriene B412-epi-LTB4ME268753---319.2263
NorfloxacinNorfloxacinME269177---320.134
3-Pyridinecarboxamide, N-(6-chloro-9H-pyrido[3,4-b...-ME268836---323.067
AcetohexamideAcetohexamideME268897---325.1268
5-(Galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME268870---325.1605
7-Methylguanine7-MethylguanineME268893---331.1373
CiprofloxacinCiprofloxacinME268959---332.1416
Benzyldimethyltetradecylammonium cation-ME268934---332.3311
Sulfanitran-ME269235---336.0704
N-AcetylglucosaminylasparagineAspartylglycosamineME269141---336.1401
5,2',3'-Trimethoxyflavanone5,2',3'-TrimethoxyflavanoneME268871---337.1118
IsomaltoseIsomaltoseME269068---343.1243
Asp-Gly-ArgAsp-Gly-ArgME268919---347.1674
Blood Group H Disaccharide-ME268940---349.1105
p-Acetamidophenyl .beta.-D-glucuronidep-AcetamidophenylglucuronideME269185---350.0861
4-Hydroxyvalsartan4-HydroxyvalsartanME268859---352.2107
Pro-Leu-LysPro-Leu-LysME269205---357.2496
.beta.-Gentiobiosebeta-GentiobioseME268744---360.15
D-(+)-TrehaloseTrehaloseME268976---360.15
MelibioseMelibioseME269100---360.15
Benzyldimethylstearylammonium cation-ME268933---360.3623
DL-Sulforaphane N-acetyl-L-cysteine-ME269007---363.0478
17,20,21-Trihydroxypregn-1-ene-3,11-dione-ME268755---363.2166
LactoseLactoseME269077---365.1054
SucroseSucroseME269233---365.1054
4-Pregnen-11,17,20,21-tetrol-3-one-ME268867---365.2323
2-Acetamido-2-deoxy-3-O-(.beta.-D-galactopyranosyl...-ME268778---366.1395
MaltitolMaltitolME269098---367.1171
trans-3'-Hydroxycotinine O-.beta.-D-glucuronide-ME269246---369.1293
CCPA-ME268952---370.1318
(-)-RiboflavinRiboflavinME268725---377.1463
S-Adenosyl-homocysteineS-AdenosylhomocysteineME269224---385.1288
Dioctyl PhthalateDioctyl phthalateME268992---391.2852
S-Adenosyl-methionineS-AdenosylmethionineME269225---399.1445
Tris(2-butoxyethyl) phosphate-ME269258---399.2503
N-Acetyl-D-lactosamineN-AcetyllactosamineME269136---406.132
LanosterolLanosterolME269078---427.3893
NCGC00385353-01!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-...-ME269155---431.0972
Glycodeoxycholic acidGlycodeoxycholic acidME269037---432.3107
BaicalinBaicalinME268924---447.0916
N,N'-DiacetylchitobioseN,N'-DiacetylchitobioseME269119---447.1575
Wogonoside-ME269272---461.1078
Androstan-3-ol-17-one 3-glucuronide-ME268907---484.2905
Lewis A trisaccharideLewis a trisaccharideME269084---512.1973
ErloseErloseME269016---527.1582
Dimethyldioctadecylammonium cation-ME268990---550.6285
Blood Group A Trisaccharide-ME268939---552.1901
UrobilinL-UrobilinME269267---591.3172
7-Methylguanosine7-MethylguanosineME268894---595.2145
Coproporphyrin ICoproporphyrin IME268964---655.2758
3'-Sialyllactose3'-SialyllactoseME268838---656.2009
1H-ImidazoleImidazoleME268761---69.0444
1,2-Diamino-2-methylpropane-ME268748---72.0808
GlycineGlycineME269036---76.0393
3-Amino-1-propanol-ME268807---76.0757
TMAOTrimethylamine N-oxideME269244---76.0757
2-Aminopyridine-ME268784---78.034
DMSODimethyl sulfoxideME269009---79.0212
3,3-Dimethylacrylic acid-ME268800---83.0502
4-Methyl-1H-pyrazoleFomepizoleME268863---83.0603
piperidinePiperidineME269198---86.0964
AlanineAlanineME268903---90.055
4-Amino-1-butanol-ME268846---90.0914
Benzyl alcoholBenzyl alcoholME268932---91.0546
3-Aminopyridine-ME268811---95.0609
2-Pyridone2-HydroxypyridineME268798---96.0444
3-Hydroxypyridine3-HydroxypyridineME268822---96.0444
1,2-Dimethylimidazole-ME268749---97.076


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