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Analysis: UPLC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Adenosine monophosphateAMPME3900666083C000202.33348.1
Pyruvic acidPyruvic acidME3902201060C000228.36887
Glutamic acidGlutamic acidME39014933032C000253.284148.1
Oxoglutaric acid2-Oxoglutaric acidME39020251C000269.469145
Acetic acidAcetic acidME390063176C000333.47659
GlycineGlycineME390120750C000371.4176
AlanineAlanineME3901435950C000411.70190
Succinic acidSuccinic acidME3902301738118C000425.994117
LysineLysineME3901565962C000470.823147.1
Aspartic acidAspartic acidME3901475960C000494.659134
ArginineArginineME3901456322C000620.849175.1
GlutamineGlutamineME3901505961C000641.524147.1
SerineSerineME3901625951C000651.433106
MethionineMethionineME3901586137C000733.646150.1
OrnithineOrnithineME3901986262C000770.791133.1
TryptophanTryptophanME3901646305C000784.93205.1
PhenylalaninePhenylalanineME3901596140C000794.75166.1
TyrosineTyrosineME3901656057C000823.358182.1
Beta-Alaninebeta-AlanineME390080239C000991.64890
Phosphoribosyl pyrophosphatePhosphoribosyl pyrophosphateME3902127339C001197.43389
Fumaric acidFumaric acidME390110444972C001226.666117
LeucineLeucineME3901556106C001234.328130.1
HistidineHistidineME3901516274C001350.819156.1
Alpha-ketoisovaleric acidKetoisovaleric acidME39007149C001419.35117
ProlineProlineME390161145742C001482.387116.1
Malic acidMalic acidME390157222656C001495.693135
AsparagineAsparagineME3901466267C001523.409133.1
Citric acidCitric acidME390089311C001587.579191
Glycolic acidGlycolic acidME390125757C001602.71575
Propionic acidPropionic acidME3902161032C001634.39873
Acetoacetic acidAcetoacetic acidME39006496C001649.82101
Phenylpyruvic acidPhenylpyruvic acidME390211997C0016610.03165
10Z-Nonadecenoic acidNonadeca-10Z-enoic acidME3901915312513C0017413.323295.3
Benzoic acidBenzoic acidME390079243C001806.349123
XyloseXyloseME390097135191C001813.902149.1
ValineValineME3901666287C001833.284116.1
Lactic acidLactic acidME390154107689C001863.36189
threonineThreonineME3901636288C001881.822120.1
GluconolactoneGluconolactoneME3900947027C001981.886177
D-Maltose and Alpha-Lactose-ME390096-C00208/C002433.286341.1
Oxalic acidOxalic acidME390200971C002096.44589
SarcosineSarcosineME3902231088C002131.55590
Arachidonic acidArachidonic acidME390075444899C0021912.511303.2
GlucoseGlucoseME39009564689C002213.37179.1
Protocatechuic acidProtocatechuic acidME39021872C002304.655155
KetoleucineKetoleucineME39014270C0023310.014131.1
Butyric acidButyric acidME390081264C002465.43687.1
Palmitic acidPalmitic acidME390205985C0024912.98255.2
Glyceric acidGlyceric acidME390119439194C002582.359105
HomoserineHomoserineME39015312647C002631.56120.1
N-Acetylneuraminic acidN-Acetylneuraminic acidME390188445063C002702.237308.1
CreatineCreatineME390091586C003001.97132.1
XyluloseXyluloseME39009812358757C003104.186149.1
Isocitric acidIsocitric acidME3901391198C003117.274191
CarnitineCarnitineME39008310917C003181.688162.1
Oxoadipic acidOxoadipic acidME39020171C003229.768159
CitrullineCitrullineME3900909750C003271.723176.1
Gamma-Aminobutyric acidgamma-Aminobutyric acidME390112119C003341.767104.1
Malonic acidMalonic acidME390173867C003835.942103
Pipecolic acidPipecolic acidME390160439227C004082.74128.1
cis-Aconitic acidcis-Aconitic acidME390087643757C004176.14173
5-Aminolevulinic acid5-Amino-levulinic acidME390059137C004303.375130.1
Glutaric acidGlutaric acidME390117743C004896.329133
CystineCystineME39014867678C004912.391241
Shikimic acidShikimic acidME3902268742C004932.774173.1
RhamnoseRhamnoseME39022125310C005074.259163.1
Guanidoacetic acidGuanidoacetic acidME390128763C005811.656116.1
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME390203127C006424.947151
5-Hydroxy-tryptophan5-Hydroxy-tryptophanME390061439280C006433.571221.1
3-Methy2-oxovaleric acid(S)-3-Methyl-2-oxopentanoic acidME39005547C006719.915131.1
Cholic acidCholic acidME390085221493C0069510.291407.3
Oleic acidOleic acidME390196445639C0071213.054281.3
Citramalic acidCitramalic acidME3900881081C008155.96147
Glucaric acidGlucaric acidME39011533037C008185.004211
Galactonic acidGalactonic acidME390111128869C008801.749195.1
Tartaric acidTartaric acidME390231444305C008985.188149
Indoleacetic acidIndoleacetic acidME390137802C009546.725176.1
Aminoadipic acidAminoadipic acidME39007492136C009564.973162.1
Hydroxypropionic acidHydroxypropionic acidME39013568152C010132.93391
DimethylglycineDimethylglycineME390102673C010261.679104.1
N-Acetyaspartic acidN-Acetylaspartic acidME39018665065C010425.623176
TrehaloseTrehaloseME3902387427C0108310.626341.1
3-Hydroxybutyric acid3-Hydroxybutyric acidME39005292135C010893.575103
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME390058979C011798.689181
Maleic acidMaleic acidME390172444266C013846.513115
Stearic acidStearic acidME3902275281C0153013.599283.3
Capric acidCapric acidME3900992969C0157111.019171.1
Caproic acidCaproic acidME3900828892C015857.764115.1
Hippuric acidHippuric acidME390131464C015865.664180.1
Linoleic acidLinoleic acidME3901705280450C0159512.589279.2
Pelargonic acidPelargonic acidME3901928158C0160110.555157.1
Phthalic acidPhthalic acidME3902131017C016066.676165
Threonic acidThreonic acidME3902365460407C016202.049137
NorvalineNorvalineME390193439575C017993.58118.1
Pyroglutamic acidPyroglutamic acidME3902197405C018793.286128
Glycocholic acidGlycocholic acidME39012210140C019219.825464.3
Mandelic acidMandelic acidME390175439616C019845.833151
Methylmalonic acidMethylmalonic acidME390179487C021705.997119
Glutaconic acidGlutaconic acidME3901165280498C022143.776129
FructoseFructoseME390093439709C023363.829179.1
trans-Aconitic acidtrans-Aconitic acidME390237444212C023416.235175
HomocitrullineHomocitrullineME39015265072C024272.272190.1
Chenodeoxycholic acidChenodeoxycholic acidME39008410133C0252810.969391.3
AcetylcarnitineCAR 2:0ME3901677045767C025712.828204.1
D-2-Hydroxyglutaric acidD-2-Hydroxyglutaric acidME390092439391C026305.959149
Pimelic acidPimelic acidME390215385C026566.852159.1
Dodecanoic acidLauric acidME3901063893C0267911.725199.2
OctanoylcarnitineCAR 8:0ME39019511953814C028388.01288.2
Methionine sulfoxideMethionine sulfoxideME390176158980C029891.71164
PalmitoylcarnitineCAR 16:0ME39020711953816C0299011.66400.3
PropionylcarnitineCAR 3:0ME390217188824C030173.679218.1
Dihomo-gamma-linolenic acidDihomo-gamma-linolenic acidME3900625280581C0324212.729305.3
Hydroxyphenyllactic acidHydroxyphenyllactic acidME3901349378C036724.683183.1
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME39007392258C041488.802265.1
Deoxycholic acidDeoxycholic acidME390101222528C0448311.143391.3
Taurocholic acidTaurocholic acidME3902336675C051227.61514.3
3-Aminoisobutanoic acid3-Aminoisobutanoic acidME39014464956C051452.25104.1
SelenomethionineSelenomethionineME390225105024C053356.6196
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME39010910267C053787.677339
Deoxycholic acid glycine conjugateGlycodeoxycholic acidME39012322833539C0546410.854448.3
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME390232387316C054658.8498.3
Chenodeoxycholic acid glycine conjugateGlycochenodeoxycholic acidME39012112544C0546610.626448.3
Homovanillic acidHomovanillic acidME3901321738C055824.685181.1
Hydrocinnamic acidHydrocinnamic acidME390133107C056297.585151.1
Ortho-Hydroxyphenylacetic acid-ME39019911970C058525.819153
2-Hydroxybutyric acid2-Hydroxybutyric acidME390047440864C059844.325103
Adipic acidAdipic acidME390067196C061046.504145.1
Caprylic acidCaprylic acidME390194379C064239.883143.1
Myristic acidMyristic acidME39018311005C0642412.349227.2
Gamma-Linolenic acidgamma-Linolenic acidME3901135280933C0642612.284277.2
Alpha-Linolenic acidalpha-Linolenic acidME3900725280934C0642712.197277.2
Eicosapentaenoic acid EPAEPAME390107446284C0642812.2301.2
Docosahexaenoic acid DHADHAME390103445580C0642912.381327.2
Phenylacetic acidPhenylacetic acidME390209999C070866.774137.1
Azelaic acidAzelaic acidME3900762266C082617.773189.1
Isovaleric acidIsovaleric acidME39014010430C082626.368101.1
Sebacic acidSebacic acidME3902245192C082778.336203.1
Suberic acidSuberic acidME39022910457C082787.272173.1
Myristoleic acidMyristoleic acidME3901845281119C0832211.867225.2
Palmitoleic acidPalmitoleic acidME390206445638C0836212.451253.2
Ricinoleic acidRicinoleic acidME3902225282942C0836511.49297.3
BenzamideBenzamideME3900772331C0981510.65122.1
Picolinic acidPicolinic acidME3902141018C101645.753124
Cinnamic acidtrans-Cinnamic acidME3900865372954C104387.7149.1
SulfolithocholylglycineSulfoglycolithocholic acidME39011472222C1130110.62512.3
Undecylenic acid10-Hendecenoic acidME3902415634C1391010.932183.1
Docosapentaenoic acid (22n-3)DPAME3901055497182C1651312.6329.3
Adrenic acidAdrenic acidME3900695497181C1652712.921331.3
Pentadecanoic acidPentadecylic acidME39020813849C1653712.669241.2
Tridecanoic acidTridecylic acidME39023912530C1707612.034213.2
Undecanoic acidUndecylic acidME3902408180C1771511.4185.2
10Z-Heptadecenoic acid10Z-Heptadecenoic acidME3900435312435-12.737267.2
12-hydroxystearic acid12-Hydroxy stearic acidME3900447789-11.762299.3
2-Hydroxy-2-methylbutyric acid2-Hydroxy-2-methyl-butyric acidME39004595433-4.07117.1
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME39004699823-5.338119.1
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME39004899824-6.546133.1
2-MethylbutyroylcarnitineCAR 4:0;2MeME3900506426901-5.165246.2
2-Phenylpropionate2-PhenylpropanoateME39004910296-7.583151.1
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid3-(3-Hydroxyphenyl)-3-hydroxypropanoic acidME390051102959-4.65181.1
3-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME39005369362-4.293117.1
3-Hydroxylisovalerylcarnitine-ME39005753915061-3.724262.2
3-Methyladipic acid3-Methyladipic acidME3900566999745-7.002159.1
5Z-Dodecenoic acid5-Dodecenoic acidME3900605312378-11.302197.2
9E-tetradecenoic acid-ME3901825312402-11.867225.2
AcetylglycineN-AcetylglycineME39006510972-2.849116
AdipoylcarnitineCAR DC5:0ME39006891826562-5.395290.2
alpha-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME39007011671-3.91103
Benzenebutanoic acid-ME3900784775-8.415165.1
DecanoylcarnitineCAR 10:0ME39010010245190-9.53316.2
Docosapentaenoic acid (22n-6)Docosapentaenoic acid (22n-6)ME3901046441454-12.748329.3
DodecanoylcarnitineCAR 12:0ME390168168381-10.655344.3
Erythronic acidErythronic acidME3901082781043-2.05135
GlutarylcarnitineCAR DC5:0ME39011853481699-5.229276.1
Glycohyocholic acidGlycohyocholic acidME39012471361462-9.149464.6
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME39012612310288-9.453448.3
GlycylprolineGly-ProME3901273013625-2.702173.1
Heptadecanoic acidMargaric acidME39012910465-13.29269.3
HexanoylcarnitineCAR 6:0ME3901303246938-6.301260.2
Hyodeoxycholic acidHyodeoxycholic acidME3901369963687-10.2391.3
Indole-3-propionic acid3-Indolepropionic acidME3900543744-7.264190.1
Isocaproic acidIsocaproic acidME39013812587-7.592115.1
IsovalerylcarnitineCAR 4:0;3MeME3901416426851-5.325246.2
Linoelaidic acidLinoelaidic acidME3901695282457-12.729279.2
Linoleyl carnitineCAR 18:2ME3901716450015-11.44424.3
MalonylcarnitineCAR DC3:0ME39017491825606-4.978248.1
MethylcysteineMethylcysteineME39017724417-3.169136
Methylglutaric acidMethylglutaric acidME39017812284-6.737145.1
MethylmalonylcarnitineCAR DC3:0;2MeME390180--5.36262.1
Methylsuccinic acidMethylsuccinic acidME3901816950476-6.342131
N-AcetylglutamineN-AcetylglutamineME390187182230-2.792187.1
N-AcetylserineN-AcetylserineME39018965249-2.659146.1
N-MethylnicotinamideN-MethylnicotinamideME39019064950-6.774135.1
OleylcarnitineCAR 18:1ME39019746907933-11.76426.4
Palmitelaidic acidPalmitelaidic acidME3902045282745-12.543253.2
Phenyllactic acidPhenyllactic acidME3902103848-6.703165.1
StearylcarnitineCAR 18:0ME39022852922056-11.71428.4
Taurohyodeoxycholic acidTaurohyodeoxycholic acidME390234119046-7.38498.7
Tauroursodeoxycholic acidTauroursodeoxycholic acidME39023512443252-7.28498.3
TetradecanoylcarnitineCAR 14:0ME39018553477791-11.22372.3


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