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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-(1Z-Hexadecenyl)-sn-glycero-3-phosphocholineLPC P-16:0 or LPC O-16:1ME605228---480.34412
1-(1Z-Octadecenyl)-sn-glycero-3-phosphocholineLPC P-18:0 or LPC O-18:1ME605229---508.37927
1,2-Dilinoleoyl-sn-glycero-3-phosphocholine-ME605225---782.56866
1,2-dioleoyl-sn-glycero-3-phosphatidylcholinePC 18:1/18:1ME605226---786.5979
1,4-D-XylobioseXylobioseME605227---305.08347
1-AcetylimidazoleN-AcetylimidazoleME605230---111.05535
1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholineLPC 20:4/0:0ME605231---552.40338
1-Heptadecanoyl-sn-glycero-3-phosphocholineLPC 17:0/0:0ME605232---510.35291
1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phos...PC 16:0/18:2ME605233---758.56799
1-Hexadecyl-sn-glycero-3-phosphocholineLPC O-16:0ME605234---482.36493
1-Methyladenosine1-MethyladenosineME605235---282.11932
1-Methylguanosine1-MethylguanosineME605237---298.11438
1-Methylhistamine1-MethylhistamineME605238---126.10246
1-Methyl nicotinamide1-Methyl nicotinamideME605239---137.07069
1-Myristoyl-sn-glycero-3-phosphocholineLPC 14:0/0:0ME605240---468.30759
1-O-Hexadecyl-2-O-(2E-butenoyl)-sn-glyceryl-3-phos...-ME605241---550.38739
1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine-ME605242---732.55225
1-Oleoyl-sn-glycero-3-phosphocholineLPC 18:1/0:0ME605243---522.354
1-Oleoyl-sn-glycero-3-phosphoethanolamineLPE 18:1/0:0ME605244---480.30814
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phospho...PC 16:0/22:6ME605245---806.56897
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...LPE 16:0/0:0ME605246---454.29208
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholin...PC 16:0/18:2ME605247---758.5686
1-Palmitoyl-sn-glycero-3-phosphocholineLPA 16:0/0:0ME605248---496.33856
1-Pentadecanoyl-sn-glycero-3-phosphocholineLPC 15:0/0:0ME605249---482.31818
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholineLPC 18:0/0:0ME605250---524.36932
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolam...LPE 18:0/0:0ME605251---482.32315
2,2',2''-NitrilotriethanolTriethanolamineME605257---150.11235
2'-DeoxycytidineDeoxycytidineME605253---228.09717
2-Methyl-4-oxo-4H-pyran-3-yl 6-O-(4-carboxy-3-hydr...-ME605258---455.11609
2-Methylbutyryl-carnitineCAR 4:0;2MeME605259---246.16956
2'-O-Methylcytidine2'-O-MethylcytidineME605256---258.10751
(2R)-3-HydroxyisovaleroylcarnitineCAR 4:0;OH,MeME605223---262.16495
3alpha,4beta,3alpha-Galactotetraose-ME605264---689.21027
3alpha,6alpha-Mannotriose-ME605265---505.17429
3-HydroxybutyrylcarnitineCAR 4:0;3OHME605260---248.14864
3-HydroxyhexadecanoylcarnitineCAR 16:0;3OHME605261---416.33621
3-Hydroxyoleylcarnitine-ME605262---442.35193
3-Methylcytidine3-MethylcytidineME605263---258.10831
4,5,7-TrihydroxyisoflavoneGenisteinME605266---271.05966
4,6-Diamino-5-formamidopyrimidineFAPy-adenineME605267---154.07211
4-Guanidinobutyric acid4-Guanidinobutanoic acidME605268---146.09207
4-Hydroxyquinoline4-HydroxyquinolineME605269---146.05983
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME605270---127.05015
4-Pyridoxic acid4-Pyridoxic acidME605272---184.06
5-(Galactosylhydroxy)-lysine5-(Galactosylhydroxy)-lysineME605274---325.15912
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME605276---242.11292
5-Methylcytidine5-MethylcytidineME605277---258.10815
5-METHYLCYTOSINE5-MethylcytosineME605275---126.06598
5'-Methylthioadenosine5'-MethylthioadenosineME605273---298.09625
6-BiopterinBiopterinME605279---238.09323
6-MethyladenosineN6-MethyladenosineME605280---282.11783
6''-O-Acetyldaidzin-ME605278---459.12808
7,8-Dihydrobiopterin7,8-DihydrobiopterinME605281---240.10834
7-Methyladenine7-MethyladenineME605282---150.077
7-Methylguanine7-MethylguanineME605283---166.07204
9(10)-Epoxy-12Z-octadecenoic acid9(10)-EpOMEME605284---297.24176
AcetylcarnitineCAR 2:0ME605286---204.1227
AdenineAdenineME605287---136.06165
AdenosineAdenosineME605288---268.10345
AgmatineAgmatineME605289---131.12895
Ala-Ala-ArgAla-Ala-ArgME605290---317.19247
Ala-Ala-LysAla-Ala-LysME605291---289.18649
Ala-Asp-LysAla-Asp-LysME605292---333.17621
Ala-GlnAla-GlnME605293---218.1131
Ala-GluAla-GluME605294---219.0972
Ala-Glu-ArgAla-Glu-ArgME605295---375.1976
Ala-Glu-LysAla-Glu-LysME605296---347.19519
Ala-Gly-LysAla-Gly-LysME605297---275.17087
Ala-IleAla-IleME605298---203.1387
Ala-Ile-ArgAla-Ile-ArgME605299---359.23914
Ala-Ile-LysAla-Ile-LysME605300---331.2334
Ala-LeuAla-LeuME605301---203.1387
Ala-Leu-ArgAla-Leu-ArgME605302---359.23526
Ala-Leu-LysAla-Leu-LysME605303---331.23328
Ala-LysAla-LysME605304---218.14954
AlanineAlanineME605311---90.05512
Ala-PheAla-PheME605305---237.12297
Ala-Phe-LysAla-Phe-LysME605306---365.21793
Ala-ProAla-ProME605307---187.10728
Ala-Pro-ArgAla-Pro-ArgME605308---343.20795
Ala-ThrAla-ThrME605309---191.10222
Ala-Val-LysAla-Val-LysME605310---317.21744
alpha-Asp-Gly-ME605673---191.06581
alpha-Asp-Lys-ME605674---262.13919
AMINOADIPICAminoadipic acidME605285---162.07587
AnserineAnserineME605312---241.12949
Arg-AlaArg-AlaME605313---246.15575
Arg-GluArg-GluME605314---304.16086
ArginineArginineME605321---175.11836
Arg-LeuArg-LeuME605315---288.2023
Arg-LysArg-LysME605316---303.21375
Arg-PheArg-PheME605317---322.18716
Arg-ProArg-ProME605318---272.17117
Arg-Pro-ArgArg-Pro-ArgME605319---214.63972
Arg-ValArg-ValME605320---274.1868
Asn-ArgAsn-ArgME605322---289.16177
Asn-Glu-LysAsn-Glu-LysME605323---390.19891
Asn-Gly-LysAsn-Gly-LysME605324---318.17679
Asn-Ile-LysAsn-Ile-LysME605325---374.23981
Asn-Phe-LysAsn-Phe-LysME605326---408.22363
Asn-Pro-LysAsn-Pro-LysME605327---358.20825
Asn-SerAsn-SerME605328---220.09247
Asn-ValAsn-ValME605329---232.12892
AsparagineAsparagineME605342---133.06053
Asp-ArgAsp-ArgME605330---290.14514
Aspartic acidAspartic acidME605343---134.04469
Asp-AspAsp-AspME605331---249.07126
Asp-Asp-ArgAsp-Asp-ArgME605332---405.17221
Asp-Asp-LysAsp-Asp-LysME605333---377.1665
Asp-GluAsp-GluME605334---263.08698
Asp-Gly-ArgAsp-Gly-ArgME605335---347.16541
Asp-Gly-LysAsp-Gly-LysME605336---319.16083
Asp-HisAsp-HisME605337---271.10315
Asp-IleAsp-IleME605338---247.12833
Asp-Leu-LysAsp-Leu-LysME605339---375.22321
Asp-ProAsp-ProME605340---231.09709
Asp-SerAsp-SerME605341---221.07639
BetaineBetaineME605344---118.08605
Betaine aldehyde cationBetaineME605345---102.09136
Bicine-ME605346---164.09148
BiliverdinBiliverdinME605347---583.25262
CarnitineCarnitineME605348---162.11215
CarnosineCarnosineME605349---227.11339
CholineCholineME605350---104.10691
CitrullineCitrullineME605351---176.10249
coproporphyrin iiiCoproporphyrin IIIME605675---655.2757
CreatineCreatineME605352---132.07635
CreatinineCreatinineME605353---114.06601
Cyclo ? Asn-Pro-ME605354---212.103
CystineCystineME605355---241.03056
CytidineCytidineME605356---244.09235
CytosineCytosineME605357---112.05035
DaidzinDaidzinME605362---417.11697
decanoylcarnitineCAR 10:0ME605676---316.24747
delta(5)-Hydroxylysine-ME605677---163.1076
Demethoxycentaureidin 7-O-rutinoside-ME605363---639.19116
DeoxyadenosineDeoxyadenosineME605252---252.1086
DEOXYCARNITINE3-DehydroxycarnitineME605359---146.11729
DeoxyguanosineDeoxyguanosineME605254---268.10349
DeoxyinosineDeoxyinosineME605255---253.09253
D-erythro-N-stearoylsphingosine-ME605358---300.28943
DIETHANOLAMINEDiethanolamineME605360---106.08632
DimethylarginineDimethylarginineME605507---203.14995
DiosminDiosminME605364---609.18036
DL-Lanthionine-ME605361---209.05862
ectoineEctoineME605678---143.08133
ErgothioneineErgothioneineME605365---230.09532
EthanolamineEthanolamineME605366---62.0605
Ferulic acid methyl ester-ME605367---177.0542
GalactosamineGalactosamineME605368---180.08641
gamma-Aminobutyric acidgamma-Aminobutyric acidME605679---104.07063
gamma-Glu-epsilon-Lys-ME605680---276.15488
gamma-Glutamylleucinegamma-GlutamylleucineME605681---261.1441
gamma-Glutamylmethioninegamma-GlutamylmethionineME605682---279.10068
Gln-AlaGln-AlaME605369---218.11296
Gln-ArgGln-ArgME605370---303.17731
Gln-GlnGln-GlnME605371---275.13449
Gln-GluGln-GluME605372---276.11844
Gln-Glu-LysGln-Glu-LysME605373---404.215
Gln-Ile-LysGln-Ile-LysME605374---388.25479
Gln-Leu-LysGln-Leu-LysME605375---388.2547
Gln-LysGln-LysME605376---275.17093
Gln-SerGln-SerME605377---234.108
Gln-ThrGln-ThrME605378---248.12352
Gln-ValGln-ValME605379---246.1445
Gln-Val-LysGln-Val-LysME605380---374.23923
Glu-AlaGlu-AlaME605381---219.09679
glucosamineGlucosamineME605683---180.08655
Glu-GlnGlu-GlnME605382---276.11816
Glu-LeuGlu-LeuME605383---261.14386
Glu-Leu-LysGlu-Leu-LysME605384---389.23904
Glutamic acidGlutamic acidME605386---148.06
GlutamineGlutamineME605387---147.07605
Glu-ThrGlu-ThrME605385---249.10786
Gly-Ala-ArgGly-Ala-ArgME605388---303.17706
Gly-ArgGly-ArgME605389---232.14011
Gly-Asp-ArgGly-Asp-ArgME605390---347.16681
Glycerophospho-N-palmitoylethanolamineGlycerophospho-N-palmitoyl ethanolamineME605407---454.29196
GlyciteinGlyciteinME605408---285.07535
Gly-Gln-ArgGly-Gln-ArgME605391---360.19843
Gly-GluGly-GluME605392---205.08163
Gly-Glu-ArgGly-Glu-ArgME605393---361.18124
Gly-Gly-LysGly-Gly-LysME605394---261.15561
Gly-HisGly-HisME605395---213.09799
Gly-Ile-ArgGly-Ile-ArgME605396---345.22314
Gly-Ile-LysGly-Ile-LysME605397---317.2175
Gly-Leu-LysGly-Leu-LysME605398---317.2178
Gly-LysGly-LysME605399---204.13394
Gly-PheGly-PheME605400---223.10709
Gly-ProGly-ProME605401---173.09171
Gly-Pro-AlaGly-Pro-AlaME605402---244.12881
Gly-Pro-LysGly-Pro-LysME605403---301.18643
Gly-SerGly-SerME605404---163.07088
Gly-ThrGly-ThrME605405---177.0867
Gly-valGly-ValME605406---175.10741
Guanidinosuccinic acidGuanidinosuccinic acidME605409---176.06624
GuanineGuanineME605410---152.05626
GuanosineGuanosineME605411---284.09821
Hexanoyl-carnitineCAR 6:0ME605413---260.18524
H-gamma-glutamyl-glutaminegamma-GlutamylglutamineME605412---276.11871
His-AlaHis-AlaME605414---227.11349
His-ArgHis-ArgME605415---312.17734
His-AsnHis-AsnME605416---270.11945
His-AspHis-AspME605417---271.10092
His-GlnHis-GlnME605418---284.13528
His-GluHis-GluME605419---285.1188
His-GlyHis-GlyME605420---213.09775
His-HisHis-HisME605421---293.13495
His-IleHis-IleME605422---269.16016
His-LeuHis-LeuME605423---269.16037
His-LysHis-LysME605424---284.17154
His-MetHis-MetME605425---287.11676
His-ProHis-ProME605426---253.12927
His-Pro, cyclo?-ME605427---235.11823
His-SerHis-SerME605428---243.10873
HistamineHistamineME605432---112.08692
His-ThrHis-ThrME605429---257.12393
HistidineHistidineME605433---156.07648
His-TyrHis-TyrME605430---319.13782
His-ValHis-ValME605431---255.14488
HomocitrullineHomocitrullineME605684---190.11827
HydroxyprolineHydroxyprolineME605434---132.06548
HypoxanthineHypoxanthineME605435---137.04547
Ile-ArgIle-ArgME605436---288.20279
Ile-GlnIle-GlnME605437---260.16028
Ile-Glu-LysIle-Glu-LysME605438---389.23877
Ile-Gly-LysIle-Gly-LysME605439---317.21765
Ile-HisIle-HisME605440---269.16037
Ile-IleIle-IleME605441---245.18549
Ile-Ile-ArgIle-Ile-ArgME605442---401.28641
Ile-Ile-LysIle-Ile-LysME605443---373.28064
Ile-LysIle-LysME605444---260.19653
Ile-ProIle-ProME605445---229.15419
Ile-Pro-IleIle-Pro-IleME605446---342.23788
Ile-SerIle-SerME605447---219.13348
Ile-Val-ArgIle-Val-ArgME605448---387.27057
Indole-6-carboxaldehyde-ME605449---146.05965
InosineInosineME605450---269.08755
Isocytosine2-Amino-4-hydroxypyrimidineME605451---112.05061
IsoleucineIsoleucineME605452---132.10155
IsovitexinIsovitexinME605453---433.11249
Kaempferol-3-O-rutinosideKaempferol-3-O-rutinosideME605454---595.16486
Kynurenic acidKynurenic acidME605455---190.04962
LactoseLactoseME605458---343.12286
lauroylcarnitineCAR 12:0ME605685---344.27893
Leu-Ala-ArgLeu-Ala-ArgME605459---359.23944
Leu-Ala-LysLeu-Ala-LysME605460---331.23331
Leu-ArgLeu-ArgME605461---288.20258
LeucineLeucineME605477---132.1015
Leu-GlnLeu-GlnME605462---260.16003
Leu-GluLeu-GluME605463---261.14407
Leu-Glu-LysLeu-Glu-LysME605464---389.24039
Leu-HisLeu-HisME605465---269.1604
Leu-Ile-ArgLeu-Ile-ArgME605466---401.28635
Leu-Ile-LysLeu-Ile-LysME605467---373.28058
Leu-Leu-ArgLeu-Leu-ArgME605468---401.28662
Leu-Leu-LysLeu-Leu-LysME605469---373.28073
Leu-LysLeu-LysME605470---260.19666
Leu-MetLeu-MetME605471---263.14175
Leu-PheLeu-PheME605472---279.16974
Leu-ProLeu-ProME605473---229.15428
Leu-Pro-LysLeu-Pro-LysME605474---357.24945
Leu-TrpLeu-TrpME605475---318.18066
Leu-TyrLeu-TyrME605476---295.16367
L-gamma-Glutamyl-glutamic acid-ME605457---277.1026
LinoleoylcarnitineCAR 18:2ME605479---424.34128
Linoleoyl ethanolamideLinoleoyl-EAME605478---324.28915
L-Leucyl-leucine methyl ester-ME605456---259.20114
Lys-Asp-LysLys-Asp-LysME605480---390.2348
Lys-IleLys-IleME605481---260.19647
LysineLysineME605489---147.11235
Lys-LeuLys-LeuME605482---260.1962
Lys-LysLys-LysME605483---275.20764
lysoPC 16:1LPC 16:1ME605686---494.32364
lysoPC 18:2LPC 18:2ME605687---520.33838
lysoPC 19:0LPC 19:0ME605688---538.38422
lysoPC 20:1LPC 20:1ME605689---550.38586
lysoPC 20:2LPC 20:2ME605690---548.36945
lysoPC 22:1LPC 22:1ME605691---578.41693
lysoPC 22:6LPC 22:6ME605692---568.33807
lysoPC 24:1LPC 24:1ME605693---606.44788
Lys-PheLys-PheME605484---294.18076
Lys-ProLys-ProME605485---244.16536
Lys-Pro-LysLys-Pro-LysME605486---372.26041
Lys-ThrLys-ThrME605487---248.1601
Lys-ValLys-ValME605488---246.18057
Malonyl-carnitineCAR DC3:0ME605490---248.11238
MaltotrioseMaltotrioseME605491---505.1748
MelezitoseMelezitoseME605492---527.15765
Met-ArgMet-ArgME605493---306.15979
Met-GlnMet-GlnME605494---278.1167
Met-Gln-LysMet-Gln-LysME605495---406.21094
Methacholine cationMethacholineME605500---160.13303
MethionineMethionineME605501---150.05788
Methioninesulfoxide [M+H]+Methionine sulfoxideME605502---166.05292
MethylguanidineMethylguanidineME605236---74.07166
Met-IleMet-IleME605496---263.142
Met-LysMet-LysME605497---278.15283
Met-TrpMet-TrpME605498---336.13693
Met-ValMet-ValME605499---249.12633
Monolinolenin (9c,12c,15c)-ME605503---353.26807
Myristoyl-carnitineCAR 14:0ME605504---372.30978
N(2)-AcetyllysineN(2)-AcetyllysineME605528---189.12285
N-2-Hydroxycyclopentyladenosine-ME605508---352.16086
N2-Methylguanosine2-MethylguanosineME605525---298.11407
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME605524---312.12946
N6-(1-Iminoethyl)-lysine-ME605527---188.13895
N6-AcetyllysineN6-AcetyllysineME605522---189.12289
N(6)-MethyllysineN(6)-MethyllysineME605518---161.12823
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME605526---175.14378
N-6-TrimethyllysineN-6-TrimethyllysineME605529---189.15923
N-Acetyl-carnosineN-AcetylcarnosineME605509---269.12509
N-AcetylcytidineN4-AcetylcytidineME605510---286.10266
N-AcetylglucosamineN-Acetyl-D-glucosamineME605511---222.09756
N-AcetylglutamineN-AcetylglutamineME605523---154.09709
N-AcetylhistidineN-AcetylhistidineME605512---198.08701
N-AcetylmannosamineN-Acetyl-mannosamineME605513---222.09676
N-AcetylornithineN-AcetylornithineME605521---175.10747
N-Acetyl-tryptophanN-Acetyl-tryptophanME605514---247.10722
N-Carboxyethyl-gamma-aminobutyric acidN-Carboxyethyl-gamma-aminobutyric acidME605515---176.09131
NiacinamideNiacinamideME605530---123.05506
Nicotinamide ribosideNicotinamide ribosideME605531---255.09689
Nicotinic acidNicotinic acidME605532---124.03921
Nipecotic acid-ME605533---130.08611
N-Methylglutamic acidN-Methyl-glutamic acidME605516---162.07582
N-MethylhistidineN-MethylhistidineME605517---170.09229
N-Methylthreonine-ME605519---134.0809
N,N'-DiacetylchitobioseN,N'-DiacetylchitobioseME605505---425.17551
N,N-Diethyl-2-aminoethanol-ME605506---118.12255
OctanoylcarnitineCAR 8:0ME605534---288.21652
Oleoyl-carnitineCAR 18:1ME605535---426.35712
OrnithineOrnithineME605536---133.09683
Palmitic acid alkyne-ME605537---253.21594
PalmitoylcarnitineCAR 16:0ME605539---400.34167
Palmitoyleicosapentaenoyl phosphatidylcholine-ME605540---780.55359
Palmitoyl ethanolamidePalmitoyl-EAME605538---300.28918
Pantothenic acidPantothenic acidME605541---220.11736
PelargonidinPelargonidinME605520---217.1291
Pentaethylene glycolPentaethylene glycolME605542---239.14848
Phe-AlaPhe-AlaME605543---237.12276
Phe-ArgPhe-ArgME605544---322.1868
Phe-GlnPhe-GlnME605545---294.14447
Phe-Glu-ArgPhe-Glu-ArgME605546---451.22925
Phe-GlyPhe-GlyME605547---223.10724
Phe-IlePhe-IleME605548---279.16901
Phe-Ile-LysPhe-Ile-LysME605549---407.26492
Phe-LeuPhe-LeuME605550---279.16953
Phe-LysPhe-LysME605551---294.18103
Phencyclidine???PhencyclidineME605556---244.19048
PhenylacetaldehydePhenylacetaldehydeME605557---121.06467
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME605558---265.1181
PhenylalaninePhenylalanineME605559---166.08566
Phe-ProPhe-ProME605552---263.13855
Phe-SerPhe-SerME605553---253.11781
Phe-ThrPhe-ThrME605554---267.13333
Phe-ValPhe-ValME605555---265.15402
PhosphocholineCholine phosphateME605560---184.07315
PhytosphingosinePhytosphingosineME605561---318.29935
Pipecolic acidPipecolic acidME605562---130.08618
Pro-AlaPro-AlaME605563---187.10724
Pro-Ala-LysPro-Ala-LysME605564---315.20288
Pro-ArgPro-ArgME605565---272.17136
Pro-GlnPro-GlnME605566---244.12888
Pro-GluPro-GluME605567---245.11287
Pro-GlyPro-GlyME605568---173.09166
Pro-HisPro-HisME605569---253.12927
ProlineProlineME605575---116.07049
Proline-hydroxyprolinePro-hydroxyProME605576---229.11778
Pro-LysPro-LysME605570---244.16544
PropionylcarnitineCAR 3:0ME605577---218.13844
Pro-ProPro-ProME605571---213.12303
Pro-SerPro-SerME605572---203.10219
Pro-ThrPro-ThrME605573---217.11777
Pro-ValPro-ValME605574---215.13852
PutrescinePutrescineME605578---89.10746
pyridoxalPyridoxalME605694---168.06496
PyridoxaminePyridoxamineME605579---169.09669
PyridoxinePyridoxineME605580---170.07968
PyroGlu-Met-ME605581---261.09
PyroGlu-Pro-ME605582---227.10193
PyroGlu-ValPyroGlu-ValME605583---229.11797
(R)-ButyrylcarnitineCAR 4:0ME605224---232.15376
RiboflavinRiboflavinME605584---377.14523
SaccharopineSaccharopineME605589---277.13913
S-AdenosylmethionineS-AdenosylmethionineME605585---399.14371
SarcosineSarcosineME605590---90.0551
Ser-AlaSer-AlaME605591---177.08655
Ser-ArgSer-ArgME605592---262.15131
Ser-GlnSer-GlnME605593---234.10808
Ser-GlySer-GlyME605594---163.07101
Ser-Gly-ArgSer-Gly-ArgME605595---319.16971
Ser-HisSer-HisME605596---243.10832
Ser-Ile-LysSer-Ile-LysME605597---347.22861
SerineSerineME605605---106.04987
Ser-Leu-LysSer-Leu-LysME605598---347.22855
Ser-LysSer-LysME605599---234.14449
Ser-Pro-ArgSer-Pro-ArgME605600---359.20099
Ser-Pro-LysSer-Pro-LysME605601---331.1973
Ser-SerSer-SerME605602---193.08157
Ser-ValSer-ValME605603---205.11803
Ser-Val-LysSer-Val-LysME605604---333.2128
Sissotrin-ME605606---447.12781
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME605588---258.10904
SpermineSpermineME605607---203.22284
Spinosine-ME605608---447.12833
S-succinylcysteineSHexCer 39:0;O3ME605587---238.03746
S-SulfocysteineCysteine-S-sulfateME605586---201.98354
StachydrineStachydrineME605609---144.10164
SucroseSucroseME605610---365.10266
TarginineTarginineME605614---189.13416
TaurineTaurineME605615---126.02177
Taurocholic acidTaurocholic acidME605616---516.29773
Tauroursodeoxycholic acidTauroursodeoxycholic acidME605617---500.30249
Thiamine CationThiamineME605618---265.11124
Thr-AlaThr-AlaME605619---191.10217
Thr-ArgThr-ArgME605620---276.16629
Thr-Asp-LysThr-Asp-LysME605621---363.18698
ThreonineThreonineME605635---120.06535
Thr-GlnThr-GlnME605622---248.12346
Thr-GluThr-GluME605623---249.10852
Thr-Glu-LysThr-Glu-LysME605624---377.20224
Thr-Gly-ArgThr-Gly-ArgME605625---333.18781
Thr-Gly-LysThr-Gly-LysME605626---305.1824
Thr-HisThr-HisME605627---257.12396
Thr-Ile-LysThr-Ile-LysME605628---361.24365
Thr-Leu-LysThr-Leu-LysME605629---361.24374
Thr-Pro-LysThr-Pro-LysME605630---345.21295
Thr-Ser-LysThr-Ser-LysME605631---335.19186
Thr-ThrThr-ThrME605632---221.11284
Thr-ValThr-ValME605633---219.13354
Thr-Val-LysThr-Val-LysME605634---347.22833
ThymidineThymidineME605636---243.0972
ThymineThymineME605637---127.05005
TMAOTrimethylamine N-oxideME605611---76.07604
TRH, free acid-ME605612---364.15994
TRIGONELLINETrigonellineME605613---138.0547
Trp-IleTrp-IleME605638---318.18076
Trp-LysTrp-LysME605639---333.19266
TryptophanTryptophanME605640---205.09659
Tyr-ArgTyr-ArgME605641---338.18164
Tyr-GluTyr-GluME605642---311.12329
Tyr-IleTyr-IleME605643---295.16461
Tyr-Leu-LysTyr-Leu-LysME605644---423.25989
Tyr-LysTyr-LysME605645---310.17578
TyrosineTyrosineME605648---182.08078
Tyr-SerTyr-SerME605646---269.11197
Tyr-ValTyr-ValME605647---281.14883
UracilUracilME605649---113.03458
UreaUreaME605650---61.04
Urocanic acidUrocanic acidME605271---139.04982
Val-Ala-LysVal-Ala-LysME605651---317.21753
Val-ArgVal-ArgME605652---274.18692
Val-GluVal-GluME605653---247.12851
Val-Gly-LysVal-Gly-LysME605654---303.20248
Val-HisVal-HisME605655---255.14471
Val-IleVal-IleME605656---231.16988
Val-Ile-LysVal-Ile-LysME605657---359.26505
ValineValineME605667---118.08614
Val-Leu-ArgVal-Leu-ArgME605658---387.27106
Val-Leu-LysVal-Leu-LysME605659---359.26498
Val-LysVal-LysME605660---246.18069
Val-MetVal-MetME605661---249.12619
Val-SerVal-SerME605662---205.11812
Val-ThrVal-ThrME605663---219.13356
Val-TrpVal-TrpME605664---304.16531
Val-ValVal-ValME605665---217.15428
Val-Val-LysVal-Val-LysME605666---345.24936
VitexinVitexinME605668---433.12222
Wogonoside-ME605669---461.10645
XanthineXanthineME605670---153.04025
XanthosineXanthosineME605671---285.08258
Xanthurenic acidXanthurenic acidME605672---206.04449


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-(1Z-Hexadecenyl)-sn-glycero-3-phosphocholineLPC P-16:0 or LPC O-16:1ME605698---524.33533
12R-Hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid12R-HETEME605706---319.22717
13-Hydroxy-9Z,11E-octadecadienoic acidCoriolic acidME605707---295.22702
13S-Hydroxy-9Z,11E,15Z-octadecatrienoic acid13S-HOTrEME605708---293.21164
1,4-Cyclohexanedicarboxylic acid-ME605697---171.06516
14-Hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic a...14-HDoHEME605709---343.22729
16-Hydroxyhexadecanoic acidJuniperic acidME605710---271.22745
1-Kestose1-KestoseME605699---539.13647
1-Methylguanosine1-MethylguanosineME605700---296.09924
1-Methyluric acid1-Methyluric acidME605701---181.03569
1-Myristoyl-sn-glycero-3-phosphocholineLPC 14:0/0:0ME605702---512.29828
1-Oleoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-gl...-ME605703---509.28802
1-Palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac...-ME605704---483.27219
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholineLPC 18:0/0:0ME605705---568.3606
2-Benzothiazolesulfonic acid-ME605715---213.96231
2'-DeoxycytidineDeoxycytidineME605711---226.08246
2-Hydroxy-4-methylpentanoic acidLeucinic acidME605717---131.0703
2-Hydroxycinnamic acidtrans-o-Coumaric acidME605718---163.03905
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME605868---147.02882
2-Hydroxy palmitic acid2-Hydroxypalmitic acidME605719---271.22726
2-Hydroxyquinoline2-HydroxyquinolineME605720---144.04433
2-Ketogluconic acid-ME605721---193.03445
2-Methylglutaric acid2-Methylglutaric acidME605722---145.04965
2-methylmaleic acid/citraconic acid-ME605723---129.0183
2'-O-Methylcytidine2'-O-MethylcytidineME605712---256.09402
2'-O-Methylinosine-ME605713---281.08878
2'-O-Methyluridine2'-O-MethyluridineME605714---257.07767
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid2-Oxindole-3-acetateME605696---190.04996
3,4-Dihydroxyhydrocinnamic acid3,4-Dihydroxyhydrocinnamic acidME605724---181.04974
3-Hydroxybutyric acid3-Hydroxybutyric acidME605725---103.03896
3-Hydroxyglutaric acid3-Hydroxyglutaric acidME605726---147.02887
3-Hydroxyhippuric acid3-Hydroxyhippuric acidME605727---194.045
3-Methoxy-4-hydroxyphenylglycol sulfate-ME605728---263.02271
3-Oxo-1,8-octanedicarboxylic acid-ME605729---215.09169
3-Phenyllactic acidPhenyllactic acidME605730---165.05475
4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid-ME605732---237.09081
4,6-Dihydroxypyrimidine-ME605731---111.01897
4-Acetamidobutyric acid4-Acetamidobutanoic acidME605733---144.06561
4-Guanidinobutyric acid4-Guanidinobutanoic acidME605734---144.07672
4-Hydroxy-6-methyl-2-pyrone-ME605735---125.02332
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME605736---121.02833
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME605737---181.04973
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME605738---179.03389
4-Hydroxyquinoline-2-carbaldehyde-ME605739---172.03944
4-Pyridoxic acid4-Pyridoxic acidME605740---182.04495
5-Hydroxy-3,4-dihydro-2(1H)-quinolinone-ME605741---162.05505
5-Hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME605742---190.0499
AdenineAdenineME605744---134.04613
AdonitolRibitolME605745---151.06012
Ala-AlaAla-AlaME605746---159.07661
Ala-ArgAla-ArgME605747---244.14119
Ala-AspAla-AspME605748---203.06659
Ala-GluAla-GluME605749---217.08221
Ala-HisAla-HisME605750---225.09833
Ala-IleAla-IleME605751---201.1237
Ala-LeuAla-LeuME605752---201.12355
Ala-LysAla-LysME605753---216.13449
AlanineAlanineME605756---88.03927
Ala-PheAla-PheME605754---235.10809
Ala-ThrAla-ThrME605755---189.0872
Aleuritic acid-ME605757---303.21707
AllantoinAllantoinME605758---157.03563
alpha-Asp-Lys-ME606036---260.1246
alpha-Glu-Asp-ME606037---261.07169
ArabitolArabitolME605759---151.05998
ArginineArginineME605760---173.10324
Asn-AlaAsn-AlaME605761---202.08272
Asn-AspAsn-AspME605762---246.07274
Asn-GlnAsn-GlnME605763---259.10452
Asn-SerAsn-SerME605764---218.07791
Asn-ThrAsn-ThrME605765---232.09331
Asn-ValAsn-ValME605766---230.11403
Asp-AlaAsp-AlaME605767---203.06648
AsparagineAsparagineME605782---131.04512
Asp-ArgAsp-ArgME605768---288.13083
Aspartic acidAspartic acidME605783---132.0291
Asp-AsnAsp-AsnME605769---246.07254
Asp-AspAsp-AspME605770---247.05647
Asp-GlnAsp-GlnME605771---260.08832
Asp-GluAsp-GluME605772---261.07227
Asp-Gly-AspAsp-Gly-AspME605773---304.07672
Asp-HisAsp-HisME605774---269.08853
Asp-LeuAsp-LeuME605775---245.11374
Asp-PheAsp-PheME605776---279.09808
Asp-ProAsp-ProME605777---229.08237
Asp-SerAsp-SerME605778---219.06157
Asp-ThrAsp-ThrME605779---233.07718
Asp-TrpAsp-TrpME605780---318.10922
Asp-TyrAsp-TyrME605781---295.09464
Azelaic acidAzelaic acidME605784---187.09656
BaicalinBaicalinME605785---445.07687
C12-AS-ME605786---265.14752
Caffeic acidCaffeic acidME605787---179.03404
Carbamoyl-DL-aspartic acid-ME605788---175.03551
Chenodeoxycholic acid 24-acyl-beta-D-glucuronide-ME605789---567.31793
Cholesterol 3-sulfateCholesterol sulfateME605790---465.30331
Cholic acidCholic acidME605791---407.28033
Citric acidCitric acidME605792---191.01888
CitrullineCitrullineME605793---174.08743
CreatinineCreatinineME605794---112.05062
Cysteic acidCysteic acidME605795---167.99634
CystineCystineME605796---239.01579
CytidineCytidineME605797---242.07753
DaidzeinDaidzeinME605803---253.0502
Daidzein 4'-sulfate-ME605804---333.00604
DaidzinDaidzinME605805---415.10226
delta-Hydroxylysine5-HydroxylysineME606038---161.09253
DeoxyuridineDeoxyuridineME605716---227.06668
DimethylarginineDimethylarginineME605904---201.13525
DL-Isocitric acid lactone-ME605800---173.0081
DL-Leu-DL-Val-ME605801---229.15503
DL-o-Tyrosine-ME605802---180.06566
Docosahexanoic acidDHAME605807---327.23245
Dodecanedioic acidDodecanedioic acidME605808---229.14375
D-SACCHARIC ACIDGlucaric acidME605799---209.02942
D-(+)-TrehaloseTrehaloseME605798---387.11356
Ferulic acidtrans-Ferulic acidME605809---193.0498
Formononetine-ME605810---267.06625
Fumaric acidFumaric acidME605811---115.0026
GalactinolGalactinolME605812---341.10818
galactitolGalactitolME606039---181.07066
gamma-Glutamylglutaminegamma-GlutamylglutamineME606040---274.10394
gamma-Glutamylleucinegamma-GlutamylleucineME606041---259.12943
gamma-Glutamylmethioninegamma-GlutamylmethionineME606042---277.08655
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME606043---309.10892
Genistin-ME605813---431.0972
Gentianose-ME605814---503.1601
Gentisinic acidGentisic acidME605815---153.01808
Gln-AlaGln-AlaME605816---216.09825
Gln-LeuGln-LeuME605817---258.14545
Gln-SerGln-SerME605818---232.09334
Gln-ThrGln-ThrME605819---246.10905
Gln-ValGln-ValME605820---244.12978
Glu-AlaGlu-AlaME605821---217.08228
Glucuronic acidGlucuronic acidME605827---193.03455
Glu-HisGlu-HisME605822---283.10419
Glu-LeuGlu-LeuME605823---259.12936
Glu-LysGlu-LysME605824---274.14035
Glu-SerGlu-SerME605825---233.07739
Glutamic acidGlutamic acidME605828---146.04474
GlutamineGlutamineME605829---145.06076
Glutaric acidGlutaric acidME605830---131.03394
Glu-ThrGlu-ThrME605826---247.09297
Gly-ArgGly-ArgME605831---230.125
Gly-AsnGly-AsnME605832---188.06702
Gly-AspGly-AspME605833---189.05075
Gly-GluGly-GluME605834---203.0666
Gly-GlyGly-GlyME605835---131.0451
Gly-IleGly-IleME605836---187.10793
Gly-LysGly-LysME605837---202.11888
Gly-PheGly-PheME605838---221.09233
Gly-Pro-AlaGly-Pro-AlaME605839---242.11424
Gly-SerGly-SerME605840---161.05606
Gly-ThrGly-ThrME605841---175.07149
Gly-TyrGly-TyrME605842---237.08701
Gly-ValGly-ValME605843---173.09219
GuanineGuanineME605844---150.04111
GuanosineGuanosineME605845---282.08395
Hexadecanedioic acidHexadecanedioic acidME605846---285.20621
His-AlaHis-AlaME605847---225.09834
His-AspHis-AspME605848---269.08817
His-GlnHis-GlnME605849---282.12033
His-GluHis-GluME605850---283.10428
His-LeuHis-LeuME605851---267.14578
His-ThrHis-ThrME605852---255.10918
HistidineHistidineME605853---154.06114
Homogentisic acidHomogentisic acidME605854---167.034
Homovanillic acid sulfate-ME605855---261.0069
(-)-Hydroxycitric acid lactone-ME605695---189.00293
HypotaurineHypotaurineME605856---108.01137
HypoxanthineHypoxanthineME605857---135.03012
Ile-ArgIle-ArgME605858---286.18814
Ile-Gly-IleIle-Gly-IleME605859---300.19223
Ile-LysIle-LysME605860---258.18176
Ile-MetIle-MetME605861---261.12692
Ile-PheIle-PheME605862---277.15475
InosineInosineME605863---267.07294
IsoleucineIsoleucineME605864---130.08624
IsomaltoseIsomaltoseME605865---387.11362
Isoschaftoside-ME605866---563.1402
IsovitexinIsovitexinME605867---431.09763
lactic acidLactic acidME606044---89.02325
LactitolLactitolME605874---343.1236
L-Cysteine-glutathione disulfideS-Glutathionyl-cysteineME605869---425.07999
L-Cysteinesulfinic acid3-Sulfino-alanineME605870---152.00127
L-Dehydroascorbic acidL-Dehydroascorbic acidME605806---173.00827
Leu-ArgLeu-ArgME605875---286.18805
Leu-AspLeu-AspME605876---245.11334
LeucineLeucineME605886---130.08626
Leu-GlnLeu-GlnME605877---258.14542
Leu-GluLeu-GluME605878---259.12924
Leu-HisLeu-HisME605879---267.14584
Leu-IleLeu-IleME605880---243.17081
Leu-LysLeu-LysME605881---258.18185
Leu-SerLeu-SerME605882---217.11865
Leu-ThrLeu-ThrME605883---231.13446
Leu-TrpLeu-TrpME605884---316.16574
Leu-TyrLeu-TyrME605885---293.15005
L-FucitolFucitolME605871---165.07593
L-gamma-Glutamyl-glutamic acid-ME605873---275.08801
Linoleoylglycine-ME605887---336.25385
L-SaccharopineSaccharopineME605872---275.1225
LysineLysineME605889---145.09718
lysoPC 16:0LPC 16:0ME606045---540.32983
lysoPC 16:1LPC 16:1ME606046---538.31427
lysoPC 18:1LPC 18:1ME606047---566.34509
lysoPC 18:2LPC 18:2ME606048---564.32953
lysoPC 18:3LPC 18:3ME606049---562.31445
lysoPC 20:1LPC 20:1ME606050---594.37756
lysoPC 20:2LPC 20:2ME606051---592.36072
lysoPC 20:3LPC 20:3ME606052---590.34613
lysoPC 20:4LPC 20:4ME606053---588.33081
lysoPC 20:5LPC 20:5ME606054---586.31091
lysoPE 16:0LPE 16:0ME606055---452.27747
lysoPE 16:1LPE 16:1ME606056---450.26202
lysoPE 18:0LPE 18:0ME606057---480.30853
lysoPE 18:1LPE 18:1ME606058---478.29272
lysoPE 18:2LPE 18:2ME606059---476.27722
lysoPE 18:3LPE 18:3ME606060---474.2623
lysoPE 20:1LPE 20:1ME606061---506.32468
lysoPE 20:2LPE 20:2ME606062---504.3093
lysoPE 20:3LPE 20:3ME606063---502.29312
lysoPE 20:4LPE 20:4ME606064---500.27829
lysoPE 22:6LPE 22:6ME606065---524.27783
Lys-ValLys-ValME605888---244.16573
Malic acidMalic acidME605890---133.01317
Manninotriose-ME605891---503.16122
MannoseMannoseME605892---179.05521
MelezitoseMelezitoseME605893---503.16086
MelibioseMelibioseME605894---341.10815
Met-AspMet-AspME605895---263.07022
Met-GlnMet-GlnME605896---276.10208
MethionineMethionineME605902---148.04259
Methionine sulfoxideMethionine sulfoxideME605903---164.03769
Met-IleMet-IleME605897---261.1275
Met-MetMet-MetME605898---279.08411
Met-SerMet-SerME605899---235.07494
Met-ThrMet-ThrME605900---249.0909
Met-ValMet-ValME605901---247.11169
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME605931---310.11542
N6-AcetyllysineN6-AcetyllysineME605930---187.10796
N-Acetyl-alanineN-AcetylalanineME605909---130.04987
N-Acetylaspartic acidN-Acetylaspartic acidME605913---174.03993
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME605914---303.08289
N-Acetyl-D-galactosamine 4-sulfate-ME605906---300.03735
N-Acetyl-D-galactosaminitolN-Acetyl-D-galactosaminitolME605907---222.09779
N-ACETYL-DL-METHIONINEN-AcetylmethionineME605905---190.05342
N-Acetyl-DL-valine-ME605908---158.08133
N-AcetylglucosaminylasparagineAspartylglycosamineME605915---334.12503
N-Acetyl-glutamic acidN-Acetylglutamic acidME605910---188.05551
N-AcetylhistidineN-AcetylhistidineME605916---196.07198
N-AcetylleucineN-AcetylleucineME605917---172.09689
N-Acetyl-mannosamineN-Acetyl-mannosamineME605918---220.08218
N-Acetylneuraminic acidN-Acetylneuraminic acidME605919---308.09875
N-AcetylornithineN-AcetylornithineME605929---173.09219
N-AcetylphenylalanineN-AcetylphenylalanineME605911---206.08173
N-AcetylserineN-AcetylserineME605920---146.04478
N-Acetyl-tryptophanN-Acetyl-tryptophanME605921---245.0925
N-AcetyltyrosineN-AcetyltyrosineME605912---222.07639
N-Arachidonoyl-alanine-ME605922---374.26904
Naringenin-4'-O-beta-D-glucuronide-ME605932---447.09259
N-Carboxyethyl-gamma-aminobutyric acidN-Carboxyethyl-gamma-aminobutyric acidME605923---174.07616
N-CinnamoylglycineCinnamoylglycineME605924---204.0658
Neodiosmin-ME605933---607.1665
N-FormylmethionineN-FormylmethionineME605925---176.03793
N-Methylglutamic acidN-Methyl-glutamic acidME605926---160.06056
N-OleoylglycineN-Oleoyl glycineME605928---338.26956
N-Oleoyl-serineNASer 18:1(9Z)ME605927---368.27991
Orotic acidOrotic acidME605934---155.00887
PalatinosePalatinoseME605937---341.10837
Palatinose1PalatinoseME605938---377.08347
Pantothenic acidPantothenic acidME605939---218.10258
PG 40:8PG 40:8ME605935---817.50323
PG 44:12PG 44:12ME605936---865.50262
Phe-AlaPhe-AlaME605940---235.10823
Phe-AspPhe-AspME605941---279.09787
Phe-GluPhe-GluME605942---293.11392
Phe-GlyPhe-GlyME605943---221.09233
Phe-LeuPhe-LeuME605944---277.15512
Phe-LysPhe-LysME605945---292.16641
PhenylalaninePhenylalanineME605950---164.0706
Phe-PhePhe-PheME605946---311.13934
Phe-SerPhe-SerME605947---251.10318
Phe-ThrPhe-ThrME605948---265.11899
Phe-ValPhe-ValME605949---263.13974
Phosphoric acidPhosphoric acidME605951---96.95889
Phthalic acidPhthalic acidME605952---165.0183
Pimelic acidPimelic acidME605953---159.06523
Pro-AlaPro-AlaME605954---185.09222
Pro-AspPro-AspME605955---229.08234
Pro-GluPro-GluME605956---243.09787
Pro-GlyPro-GlyME605957---171.07657
Pro-IlePro-IleME605958---227.13954
Pro-LeuPro-LeuME605959---227.13945
Proline-hydroxyprolinePro-hydroxyProME605965---227.103
Pro-MetPro-MetME605960---245.09615
Pro-PhePro-PheME605961---261.1236
Pro-SerPro-SerME605962---201.08725
Pro-ThrPro-ThrME605963---215.10287
Pro-ValPro-ValME605964---213.12369
PseudouridinePseudouridineME605966---243.06155
PurinePurineME605967---119.03508
Quinic acidQuinic acidME605968---191.05518
RaffinoseRaffinoseME605969---503.16043
RibothymidineRibothymidineME605743---257.07797
SarcosineSarcosineME605972---88.03931
Sebacic acidSebacic acidME605973---201.11237
Ser-AspSer-AspME605974---219.06174
Ser-GlnSer-GlnME605975---232.09322
Ser-GluSer-GluME605976---233.07735
Ser-GlySer-GlyME605977---161.05611
Ser-Gly-SerSer-Gly-SerME605978---248.08806
Ser-HisSer-HisME605979---241.09361
SerineSerineME605986---104.03416
Ser-LysSer-LysME605980---232.12955
Ser-MetSer-MetME605981---235.07524
Ser-SerSer-SerME605982---191.06657
Ser-ThrSer-ThrME605983---205.08228
Ser-TyrSer-TyrME605984---267.0983
Ser-ValSer-ValME605985---203.10292
Sinapic acidSinapic acidME605987---223.06047
S-SulfocysteineCysteine-S-sulfateME605970---199.96844
STACHYOSEStachyoseME605971---665.21362
suberic acidSuberic acidME606066---173.08096
Succinic acidSuccinic acidME605988---117.01817
SucroseSucroseME605989---341.10867
Sulfoacetic acidSulfoacetic acidME605990---138.96959
Swertisin-ME605991---445.11292
TaurineTaurineME605993---124.00624
Thr-AlaThr-AlaME605994---189.08728
Thr-AspThr-AspME605995---233.07724
Threonic acidThreonic acidME606003---135.02879
ThreonineThreonineME606004---118.0498
Thr-GluThr-GluME605996---247.09299
Thr-Gly-ThrThr-Gly-ThrME605997---276.11969
Thr-HisThr-HisME605998---255.10921
Thr-PheThr-PheME605999---265.1189
Thr-ThrThr-ThrME606000---219.09793
Thr-ValThr-ValME606001---217.11852
Thr-Val-LeuThr-Val-LeuME606002---330.20285
ThymidineThymidineME606005---241.08215
TRANS-4-HYDROXYPROLINEtrans-4-HydroxyprolineME605992---130.04993
trans-Traumatic acidTraumatic acidME606067---227.12801
Trp-LeuTrp-LeuME606006---316.16602
Trp-ThrTrp-ThrME606007---304.12988
Trp-ValTrp-ValME606008---302.1507
TryptophanTryptophanME606009---203.08171
Tyr-AspTyr-AspME606010---295.09274
Tyr-GluTyr-GluME606011---309.10901
Tyr-LeuTyr-LeuME606012---293.15033
Tyr-ThrTyr-ThrME606013---281.11401
Tyr-ValTyr-ValME606014---279.13461
UracilUracilME606016---111.01888
UridineUridineME606017---243.06154
UROCANATEUrocanic acidME606015---137.03452
Val-ArgVal-ArgME606018---272.17233
Val-AspVal-AspME606019---231.09787
Val-GluVal-GluME606020---245.11404
Val-Gly-ValVal-Gly-ValME606021---272.16122
Val-HisVal-HisME606022---253.13014
Val-LeuVal-LeuME606023---229.15498
Val-LysVal-LysME606024---244.16589
Val-MetVal-MetME606025---247.11201
Val-PheVal-PheME606026---263.14005
Val-SerVal-SerME606027---203.10283
Val-ThrVal-ThrME606028---217.11873
Val-TyrVal-TyrME606029---279.13443
Val-ValVal-ValME606030---215.13939
VanillinVanillinME606031---151.03883
VerbascoseVerbascoseME606032---827.26703
Wogonoside-ME606033---459.0925
XanthineXanthineME606034---151.02505
XanthosineXanthosineME606035---283.06815


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