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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
1,11-Undecanedicarboxylic acidTridecanedioic acidME569827--1.276243.1599
1,3,7-Trimethyluric acid1,3,7-Trimethyluric acidME569756--1.969209.0674
1,3 CyclohexanedioneCyclohexane-1,3-dioneME569589--1.587111.0439
16-Hydroxyhexadecanoic acidJuniperic acidME569898--1.222271.2278
1,7-Dimethyluric acid1,7-Dimethyluric acidME569735--4.303195.0517
1-Hydroxy-2-naphthoic acid1-Hydroxy-2-naphthoateME569712--1.432187.049
1-Methylpseudouridine-ME569859--4.966257.0778
1-Methyluric acid1-Methyluric acidME569702--5.976181.0358
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME569645--2.822153.0185
2,6-Diaminopimelic acid2,6-Diaminopimelic acidME569721--9.9189.0873
2,6-Dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME569643--1.073153.0183
2'-DeoxycytidineDeoxycytidineME569784--6.005226.0829
2-Deoxyribose2-Deoxy-riboseME569619--3.688133.0495
2-DeoxyuridineDeoxyuridineME569785--3.153227.0669
2-Hydroxy-2-methylbutyric acid2-Hydroxy-2-methyl-butyric acidME569593--1.594117.0544
2-Hydroxy-4-methylpentanoic acidLeucinic acidME569615--1.857131.0701
2-Hydroxy-5-methoxybenzoic acid-ME569672--1.249167.0342
2-Hydroxyhippuric acidSalicyluric acidME569732--5.688194.0451
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME569637--1.54151.0391
2-Hydroxyquinoline2-HydroxyquinolineME569625--1.084144.0443
2-Isopropylmalic acid2-Isopropylmalic acidME569687--5.853175.0604
2-Ketogluconic acid-ME569729--8.626193.0345
2-(N-Morpholino)ethanesulfonic acid2-(N-Morpholino)ethanesulfonic acidME569734--5.192194.0485
2'-O-Methyluridine2'-O-MethyluridineME569860--2.399257.0778
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid2-Oxindole-3-acetateME569723--1.999190.0501
2-Propylglutaric acid2-Propylglutaric acidME569681--1.713173.081
3-(3-Hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME569665--1.366165.0546
3,4-Dihydroxybenzoic acidProtocatechuic acidME569641--2.385153.0182
3,4-Dihydroxyhydrocinnamic acid3,4-Dihydroxyhydrocinnamic acidME569703--1.77181.0497
3,4-Dihydroxyphenylacetic acid3,4-Dihydroxybenzeneacetic acidME569669--2.299167.034
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME569677--2.546169.0498
3,4-Dimethoxyphenol-ME569646--4.639153.0546
3,5-Dihydroxy-4-methylbenzoic acid-ME569671--2.63167.0342
3-Hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME569657--6.854161.0445
3-Hydroxy-4-methoxybenzoic acid3-Hydroxy-4-methoxybenzoic acidME569673--1.358167.0374
3-Hydroxyoctanoic acid3-Hydroxyoctanoic acidME569655--1.305159.1017
3-Hydroxypropanoic acidHydroxypropionic acidME569584--2.32689.023
3-Hydroxyvaleric acid3-Hydroxyvaleric acidME569594--2.105117.0544
3-Methoxy-4-hydroxyphenylglycol sulfate-ME569883--2.85263.023
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME569609--2.803129.0546
3-Methyladipic acid3-Methyladipic acidME569653--2.005159.0653
3-Methylcatechol-ME569600--1.143123.044
3-Methylhistidine3-MethylhistidineME569675--9.496168.0769
3-O-Methylgallic acid-ME569708--1.877183.029
3-Phenyllactic acidPhenyllactic acidME569666--2.089165.0547
4,5,7-TrihydroxyisoflavoneGenisteinME569895--1.306269.0457
4-Acetylbutyric acid5-Ketocaproic acidME569607--1.45129.0545
4-Hydroxy-6-methyl-2-pyrone-ME569603--1.415125.0232
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME569623--1.634137.0233
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME569733--5.846194.0452
4-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME569636--1.426151.0391
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME569704--4.337181.0497
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME569693--1.055179.0341
4-Ketopimelic acid-ME569680--3.666173.0446
4-Methyl-2-oxovaleric AcidKetoleucineME569608--2.552129.0545
4-Methylcatechol4-MethylcatecholME569599--1.284123.0439
4-Methylumbelliferyl sulfate4-Methylumbelliferyl sulfateME569856--1.049254.9969
4-Morpholinopropanesulfonic acid-ME569755--4.723208.0642
4-Pyridoxic acid4-Pyridoxic acidME569706--2.837182.045
5-Aminoimidazole-4-carboxamide5-Aminoimidazole-4-carboxamideME569604--4.325125.0456
5-Hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME569724--1.867190.0502
5-Hydroxyisophthalic acid-ME569701--1.346181.0133
5-Hydroxytryptophan5-Hydroxy-tryptophanME569771--7.465219.077
5-MethyluridineRibothymidineME569861--4.365257.0779
6-Hydroxycaproic acid6-Hydroxycaproic acidME569616--1.421131.0702
7-Hydroxycoumarin sulfate-ME569817--1.084240.9811
9,10-Dihydroxy-12Z-octadecenoic acid9,10-DiHOMEME569949--1.166313.2384
AcesulfameAcesulfameME569661--1.265161.9855
Acetaminophen sulfateParacetamol sulfateME569794--1.441230.0123
AdenineAdenineME569620--4.651134.0459
Adipic acidAdipic acidME569627--2.157145.0494
Ala-AlaAla-AlaME569654--8.381159.0767
Ala-Ala-AlaAla-Ala-AlaME569797--8.386230.1145
Ala-AsnAla-AsnME569743--9.314202.0826
Ala-GlnAla-GlnME569765--9.075216.0986
Ala-Gly-AlaAla-Gly-AlaME569764--8.606216.0985
Ala-LeuAla-LeuME569742--7.706201.1237
Ala-MetAla-MetME569772--7.729219.0804
AlanineAlanineME569583--8.10488.039
Ala-ProAla-ProME569710--8.12185.0926
Ala-SerAla-SerME569688--9.007175.0715
Ala-ThrAla-ThrME569720--8.712189.0872
Ala-TrpAla-TrpME569905--7.428274.12
Ala-TyrAla-TyrME569852--7.89251.1035
AllantoinAllantoinME569649--5.673157.0356
.alpha.-L-Glu-L-AspGlu-AspME569878--9.38261.0727
Androsterone glucuronideAndrosterone 3-glucuronideME569982--6.076465.2494
AnserineAnserineME569816--9.559239.1146
ArabitolArabitolME569638--7.101151.0601
Arg-GluArg-GluME569940--9.816302.1472
ArginineArginineME569684--9.509173.1034
Arg-ProArg-ProME569896--9.527270.1572
Asn-AlaAsn-AlaME569745--8.889202.0827
Asn-AsnAsn-AsnME569836--9.573245.089
Asn-AspAsn-AspME569841--9.433246.0729
Asn-GlnAsn-GlnME569869--9.46259.1047
Asn-IleAsn-IleME569830--7.819244.13
Asn-MetAsn-MetME569882--8.167262.0868
Asn-ProAsn-ProME569787--8.685228.0986
Asn-ValAsn-ValME569796--8.154230.1144
Asp-ArgAsp-ArgME569928--9.87288.1315
Aspartic acidAspartic acidME569618--9.312132.029
Asp-AsnAsp-AsnME569842--9.76246.0731
Asp-AspAsp-AspME569846--9.647247.057
Asp-GlnAsp-GlnME569872--9.659260.0888
Asp-GluAsp-GluME569879--9.52261.0728
Asp-Gly-AspAsp-Gly-AspME569943--9.735304.0787
Asp-PheAsp-PheME569915--8.186279.0987
Asp-ProAsp-ProME569789--9.143229.0827
Asp-ThrAsp-ThrME569808--9.572233.0777
Asp-TrpAsp-TrpME569953--8.125318.1095
Asp-ValAsp-ValME569800--8.49231.0983
Azelaic acidAzelaic acidME569713--1.429187.0968
Benzoic acidBenzoic acidME569598--1.107121.0282
beta-Hydroxymyristic acid3-Hydroxytetradecanoic acidME569829--1.258243.1963
Caffeic acidCaffeic acidME569694--1.983179.0341
Caftaric acid-ME569947--9.046311.0382
CarboxyibuprofenCarboxyibuprofenME569812--1.529235.0975
CarnosineCarnosineME569783--9.603225.099
CatecholPyrocatecholME569587--1.17109.0282
Chelidonic acidChelidonic acidME569707--8.339182.9925
Citraconic acidCitraconic acidME569606--1.687129.0181
CitrullineCitrullineME569686--8.852174.0874
CMPF3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME569815--1.451239.0922
Cordycepin-ME569851--4.887250.0978
Cysteic AcidCysteic acidME569674--9.043167.9965
CystineCystineME569814--9.945239.0163
CytidineCytidineME569820--6.925242.0781
DaidzeinDaidzeinME569854--1.341253.0505
Daidzein 4'-sulfate-ME569959--1.411333.0079
Dehydroisoandrosterone sulfateDehydroepiandrosterone sulfateME569975--1.34367.1583
delta-Hydroxylysine5-HydroxylysineME569660--9.809161.0923
D-Glucosamine, 6-sulfate-ME569863--8.956258.0288
Diethyl-phthalateDiethyl phthalateME569778--1.209221.0816
Dihydro-4,4-dimethyl-2,3-furandione2-DehydropantolactoneME569605--1.695127.0389
Disaccharide 1beta-GentiobioseME569954--7.745323.0983
Disaccharide 10-ME569967--9.068343.1245
Disaccharide 11-ME569962--9.25341.1087
Disaccharide 2-ME569955--7.88323.0983
Disaccharide 4-ME569963--8.044341.1088
Disaccharide 5-ME569976--8.397371.1195
DL-Isocitric acid lactone-ME569679--7.996173.0081
Docosatetraenoic acidDocosatetraenoic acidME569957--0.983331.2642
Dodecanedioic acidDodecanedioic acidME569791--1.317229.144
Dodecyl sulfateBlasticidin SME569890--1.088265.1478
D-Pantothenic acidPantothenic acidME569770--3.504218.1029
Eicosatrienoic acidEicosatrienoic acidME569944--0.987305.2485
EpicatechinEpicatechinME569929--2.794289.0718
Ethyl-beta-glucuronideEthyl glucuronideME569777--7.644221.0664
Ethylmalonic acidEthylmalonic acidME569613--2.393131.0338
Ethyl sulfate-ME569602--1.754124.9903
Ferulic acidtrans-Ferulic acidME569731--1.354193.0498
GalactinolGalactinolME569966--9.747341.109
Galacto-N-biose-ME569977--8.17418.1123
GalactoseGalactoseME569697--7.904179.0552
Galactose (monosaccharide)GalactoseME569761--7.624215.0322
gamma-Glutamylleucinegamma-GlutamylleucineME569870--8.034259.1298
Gentisinic acidGentisic acidME569642--3.151153.0182
Gln-AspGln-AspME569874--9.337260.0889
Gln-GlnGln-GlnME569901--9.361273.1206
Gln-GluGln-GluME569904--9.233274.1047
Gln-GlyGln-GlyME569744--9.139202.0826
Gln-LeuGln-LeuME569864--7.739258.1458
Gln-MetGln-MetME569908--8.104276.1024
Gln-ProGln-ProME569821--8.643242.1145
Gln-SerGln-SerME569804--9.345232.0937
Gln-ThrGln-ThrME569843--9.079246.1095
Gln-ValGln-ValME569832--8.106244.1303
Glu-AsnGlu-AsnME569873--9.525260.0888
Glucose-6-phosphateGlucose 6-phosphateME569868--9.946259.0223
Glu-GlnGlu-GlnME569903--9.404274.1046
Glu-Gly-GluGlu-Gly-GluME569958--9.346332.1101
Glu-HisGlu-HisME569925--9.815283.1048
Glu-LeuGlu-LeuME569871--7.887259.1298
Glu-LysGlu-LysME569906--9.841274.1411
Glu-PheGlu-PheME569930--7.899293.1143
Glu-ProGlu-ProME569826--8.691243.0984
Glu-SerGlu-SerME569807--9.421233.0775
Glutamic acidGlutamic acidME569630--8.796146.0447
GlutamineGlutamineME569628--8.623145.0607
Glu-ThrGlu-ThrME569847--9.155247.0936
Glu-ValGlu-ValME569839--8.185245.1141
Gly-ArgGly-ArgME569798--9.77230.1256
Gly-AsnGly-AsnME569717--9.45188.0669
Gly-AspGly-AspME569719--9.266189.051
GlyceraldehydeGlyceraldehydeME569585--7.71289.023
Gly-GluGly-GluME569747--9.151203.0668
Gly-GlyGly-GlyME569614--9.018131.045
Gly-Gly-GlyGly-Gly-GlyME569718--9.253188.0669
Gly-HisGly-HisME569757--9.757211.0831
Gly-LysGly-LysME569746--9.814202.1191
Gly-MetGly-MetME569753--7.931205.0648
Gly-SerGly-SerME569658--9.318161.0557
Gly-ThrGly-ThrME569689--8.852175.0717
Gly-TyrGly-TyrME569813--8.137237.0877
Gly-ValGly-ValME569683--7.958173.0924
GuanineGuanineME569633--6.494150.0411
GuanosineGuanosineME569922--7.242282.0844
Guanosine-3',5'-cyclic monophosphate3',5' cyclic GMPME569970--8.363344.0401
Hexadecanedioic acidHexadecanedioic acidME569926--1.211285.2071
hexosamine monosaccharide 1GlucosamineME569774--7.242220.0824
hexosamine monosaccharide 2GlucosamineME569716--8.402188.0557
Hippuric acidHippuric acidME569691--3.055178.05
His-AlaHis-AlaME569782--9.377225.0989
His-AsnHis-AsnME569894--9.811268.1053
His-GluHis-GluME569924--9.641283.1047
His-GlyHis-GlyME569758--9.58211.0831
His-ProHis-ProME569853--9.285251.1147
His-ThrHis-ThrME569858--9.517255.1098
HistidineHistidineME569647--9.578154.0613
Homogentisic acidHomogentisic acidME569670--2.782167.034
HomoserineHomoserineME569595--8.403118.0497
Homovanillic acidHomovanillic acidME569705--1.458181.05
Homovanillic acid sulfate-ME569877--3.116261.0073
Hydroferulic acidDihydroferulic acidME569736--1.279195.0655
HypoxanthineHypoxanthineME569621--4.952135.03
Ile-AsnIle-AsnME569831--8.261244.1302
Ile-AspIle-AspME569838--8.037245.114
Ile-GlnIle-GlnME569865--8.119258.1461
Ile-LeuIle-LeuME569828--6.158243.1712
Ile-PheIle-PheME569912--6.278277.1556
Ile-SerIle-SerME569768--8.087217.119
Ile-TrpIle-TrpME569952--6.292316.1666
Ile-TyrIle-TyrME569932--7.136293.1508
Ile-ValIle-ValME569793--6.734229.1555
Indole-3-carboxylic acidIndole-3-carboxylic acidME569656--1.36160.0393
Indolelactic acidIndolelactic acidME569752--2.377204.0659
Indoxyl sulfateIndoxyl sulfateME569759--1.344212.0018
InosineInosineME569891--6.3267.0733
IsorhamnetinIsorhamnetinME569950--1.274315.0511
Ketoisovaleric acidKetoisovaleric acidME569591--3.152115.0389
Kynurenic acidKynurenic acidME569714--6.229188.0345
Lactose B-ME569961--8.944341.1086
Leu-AspLeu-AspME569837--7.954245.1139
Leu-HisLeu-HisME569893--8.732267.1462
Leu-LysLeu-LysME569867--9.089258.1824
Leu-ThrLeu-ThrME569802--7.716231.1346
Leu-TyrLeu-TyrME569931--7.045293.1507
L-FucitolFucitolME569667--5.401165.076
L-.gamma.-Glutamyl-L-glutamic acidgamma-Glutamylglutamic acidME569907--9.434275.0885
L-Gulono-1,4-lactone-ME569690--4.211177.0397
Linoleic acidLinoleic acidME569919--0.991279.2328
Lys-AlaLys-AlaME569766--9.66216.135
Lys-AspLys-AspME569876--9.882260.1253
Lys-GlnLys-GlnME569902--9.852273.1571
LysineLysineME569629--9.585145.0971
Lys-LeuLys-LeuME569866--8.773258.1822
lysoPC 16:1LPC 16:1ME569988--5.59538.3156
lysoPC 18:1LPC 18:1ME569991--5.524566.3467
lysoPC 18:2LPC 18:2ME569990--5.553564.3311
lysoPE 14:0LPE 14:0ME569978--5.894424.2473
lysoPE 16:0LPE 16:0ME569981--5.818452.2784
lysoPE 18:1LPE 18:1ME569984--5.772478.2938
lysoPE 18:2LPE 18:2ME569983--5.795476.2784
Lys-ProLys-ProME569822--9.562242.1507
Lys-ValLys-ValME569834--9.212244.1663
MelatoninMelatoninME569801--1.147231.1136
Met-AspMet-AspME569884--8.254263.0707
Met-GluMet-GluME569910--8.217277.0862
MethionineMethionineME569631--7.45148.0427
MethioninesulfoxideMethionine sulfoxideME569664--8.583164.0378
MethylacetateMethyl acetateME569581--4.06473.0281
Methylgallate-ME569709--1.655183.029
Methylsuccinic acidMethylsuccinic acidME569612--2.805131.0337
Met-IleMet-IleME569881--6.409261.1277
Met-SerMet-SerME569810--8.249235.0755
Met-ThrMet-ThrME569850--7.909249.0912
Met-ValMet-ValME569848--7.045247.112
Monnosaccharide-ME569698--6.098179.0554
monosaccharide-ME569699--8.414179.0555
N-AcetylalanineN-AcetylalanineME569610--5.171130.0499
N-Acetylaspartic acidN-Acetylaspartic acidME569685--7.756174.0399
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME569942--8.179303.0833
N-Acetyl-D-galactosamine 4-sulfate-ME569937--7.211300.0396
N-Acetyl-D-galactosaminitolN-Acetyl-D-galactosaminitolME569780--7.337222.0979
N-Acetyl-DL-valine-ME569650--2.561158.0813
N-AcetylglucosamineN-Acetyl-D-glucosamineME569775--7.699220.0824
N-AcetylglucosaminylasparagineAspartylglycosamineME569960--9.606334.1256
N-Acetylglutamic acidN-Acetylglutamic acidME569715--7.763188.0556
N-AcetylglycineN-AcetylglycineME569592--7.418116.034
N-AcetylhistidineN-AcetylhistidineME569737--8.14196.072
N-Acetyl-L-tyrosineN-AcetyltyrosineME569779--4.863222.0767
N-AcetylmannosamineN-Acetyl-mannosamineME569776--7.055220.0824
N-acetyl-methionineN-AcetylmethionineME569725--3.188190.0534
N-Acetylneuraminic acidN-Acetylneuraminic acidME569946--9.399308.0987
NaringeninNaringeninME569897--1.189271.0612
N-CinnamoylglycineCinnamoylglycineME569751--2.8204.0658
Neochlorogenic acid-ME569971--7.587353.0881
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine-ME569886--1.415263.1056
N-IsobutyrylglycineIsobutyrylglycineME569626--3.694144.0654
N-IsovalerylglycineIsovalerylglycineME569651--2.812158.0813
N-Methylvaline_Leucine_Norleucine-ME569611--7.04130.0862
N-omega-AcetylhistamineN-AcetylglutamineME569640--6.049152.0819
O-Acetylsalicylic acid (aspirin)AspirinME569692--1.363179.0341
OrnithineOrnithineME569617--9.631131.0814
Orotic acidOrotic acidME569648--7.449155.0088
P-Anisic acid-ME569634--1.269151.039
Phe-AsnPhe-AsnME569914--8.099278.1245
Phe-AspPhe-AspME569916--7.904279.0987
Phe-LeuPhe-LeuME569913--5.734277.1556
Phe-MetPhe-MetME569936--6.447295.112
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME569885--5.996263.1038
PhenylacetylglycinePhenylacetylglycineME569728--3.009192.0659
Phenylpyruvic acidPhenylpyruvic acidME569662--1.419163.039
Phe-PhePhe-PheME569948--5.839311.1403
Phe-ThrPhe-ThrME569888--7.633265.1193
Phe-ValPhe-ValME569887--6.195263.1401
PhloretinPhloretinME569900--1.441273.0769
Phloroglucinocarboxaldehyde-ME569644--1.372153.0183
Phloroglucinolcarboxylic acid-ME569676--1.447169.0132
Pimelic acidPimelic acidME569652--1.849159.0652
Pro-AlaPro-AlaME569711--7.953185.0926
Pro-AsnPro-AsnME569788--8.875228.0989
Pro-AspPro-AspME569790--8.606229.0827
Pro-GluPro-GluME569825--8.508243.0983
Pro-GlyPro-GlyME569678--8.297171.0768
ProlineProlineME569590--7.835114.0549
Pro-PhePro-PheME569880--7.029261.1246
Pro-SerPro-SerME569740--8.634201.0876
Prostaglandin E1PGE1ME569972--1.43353.2332
PseudouridinePseudouridineME569823--7.041243.0619
PurinePurineME569597--2.437119.0351
Pyruvic acidPyruvic acidME569582--5.35387.0074
QuercetinQuercetinME569939--1.54301.0357
Raffinose (trisaccharide)RaffinoseME569985--9.589503.1621
Resveratrol-3-O-sulfate-ME569945--1.434307.0281
RiboseRiboseME569632--4.682149.0444
Salicylic acidSalicylic acidME569622--1.437137.0232
ScopoletinScopoletinME569726--1.242191.0344
Sebacic acidSebacic acidME569741--1.4201.1126
SecoisolariciresinolSecoisolariciresinolME569974--1.177361.1657
Ser-AsnSer-AsnME569769--9.544218.0776
Ser-GlnSer-GlnME569803--9.428232.0935
Ser-GluSer-GluME569809--9.305233.0778
Ser-GlySer-GlyME569659--9.196161.056
Ser-Gly-SerSer-Gly-SerME569849--9.578248.0887
Ser-HisSer-HisME569819--9.815241.094
SerineSerineME569586--8.695104.034
Ser-LeuSer-LeuME569767--7.82217.1188
Ser-LysSer-LysME569805--9.885232.1301
Ser-MetSer-MetME569811--8.107235.0755
Ser-SerSer-SerME569727--9.435191.0666
Ser-TyrSer-TyrME569892--8.31267.0987
Ser-ValSer-ValME569750--8.126203.1033
Sinapic acidSinapic acidME569781--1.62223.0607
SinigrinSinigrinME569973--6.576358.0272
SorboseSorboseME569695--7.693179.0551
S-SulfocysteineCysteine-S-sulfateME569739--8.037199.9686
Suberic acidSuberic acidME569682--1.601173.081
SucraloseSucraloseME569980--3.072441.0125
Sucrose (Disaccharide)SucroseME569964--8.452341.1088
sugar acid-ME569730--8.89193.0347
sugar alcohol 1-ME569663--4.581163.0602
sugar alcohol 3-ME569968--8.764343.1245
sugar alcohol 4-ME569969--8.86343.1245
Sulfoacetic acidSulfoacetic acidME569624--8.304138.9695
Syringic acidSyringic acidME569738--1.401197.0448
Tagatose (Monosaccharide)D-TagatoseME569696--7.823179.0551
TaurineTaurineME569601--7.804124.0061
Tenofovir-ME569927--9.602286.0711
Tetradecanedioic acidTetradecanedioic acidME569862--1.265257.1757
Tetrasaccharide 2-ME569992--9.928665.2151
TheophyllineTheophyllineME569700--1.575179.0566
Thr-AlaThr-AlaME569722--8.515189.0875
Thr-AspThr-AspME569806--9.148233.0774
ThreonineThreonineME569596--8.305118.0498
Thr-GlnThr-GlnME569844--9.199246.1095
Thr-Gly-ThrThr-Gly-ThrME569909--9.08276.1201
Thr-HisThr-HisME569857--9.657255.1097
Thr-LysThr-LysME569845--9.749246.1458
Thr-PheThr-PheME569889--7.497265.1193
Thr-SerThr-SerME569754--9.157205.0825
Thr-ThrThr-ThrME569773--8.849219.0984
Thr-TyrThr-TyrME569920--7.998281.1142
Thr-Val-LeuThr-Val-LeuME569956--7.13330.2037
ThymidineThymidineME569818--2.692241.0829
trans-Traumatic acidTraumatic acidME569786--1.376227.1284
Trisaccharide-ME569986--9.204503.1623
Trisaccharide 1-ME569965--8.124341.1088
Trisaccharide 2-ME569989--9.233539.1387
Trisaccharide 4-ME569987--9.703503.1625
Trp-GlyTrp-GlyME569875--7.541260.1043
Trp-LeuTrp-LeuME569951--6.09316.1665
Trp-ProTrp-ProME569938--6.876300.1352
Trp-ValTrp-ValME569941--6.505302.151
TryptophanTryptophanME569748--6.866203.0822
Tyr-AsnTyr-AsnME569934--8.652294.1097
Tyr-AspTyr-AspME569935--8.394295.0935
Tyr-IleTyr-IleME569933--6.808293.1508
Tyr-ProTyr-ProME569911--7.481277.1193
Tyr-ThrTyr-ThrME569921--8.117281.1142
Tyr-ValTyr-ValME569918--7.322279.1349
Undecanedioic acidUndecanedioic acidME569762--1.356215.1284
UracilUracilME569588--2.439111.0187
Uric acidUric acidME569668--7.803167.0201
UridineUridineME569824--4.954243.0619
Val-AsnVal-AsnME569795--8.611230.1143
Val-AspVal-AspME569799--8.377231.0982
Val-GlnVal-GlnME569833--8.454244.1304
Val-GluVal-GluME569840--8.328245.1143
Val-Gly-ValVal-Gly-ValME569899--7.562272.1617
Val-HisVal-HisME569855--9.196253.1305
Val-LeuVal-LeuME569792--6.826229.1554
Val-LysVal-LysME569835--9.377244.1666
Val-ProVal-ProME569760--7.638213.124
Val-SerVal-SerME569749--8.396203.103
Val-TyrVal-TyrME569917--7.559279.1348
Val-ValVal-ValME569763--7.441215.1395
VanillinVanillinME569635--1.053151.039
VerbascoseVerbascoseME569993--10.243827.2689
VitexinVitexinME569979--5.482431.0982
XanthosineXanthosineME569923--7.435283.0782
XylitolXylitolME569639--6.876151.0601


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