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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
isoValeric Acid /4-oxobutanoate/acetoacetate-ME309549---101
Betaine AldehydeBetaine aldehydeME309489---102
gamma-Aminobutyrategamma-Aminobutyric acidME309521---102
3HBA3-Hydroxybutyric acidME309461---103
2-hydroxybutyrate2-Hydroxybutyric acidME309459---103.02
CholineCholineME309495---103.99
DimethylglycineDimethylglycineME309510---104
2-aminoisobutyric acidAminoisobutyric acidME309457---104.02
GlycerateGlyceric acidME309527---105
SerineSerineME309611---106.01
HypotaurineHypotaurineME309541---110.01
UracilUracilME309631---111
HistamineHistamineME309536---112.01
CreatinineCreatinineME309499---114
Fumaric AcidFumaric acidME309519---114.99
N-AcetylGlycineN-AcetylglycineME309571---115.99
GuanidinoacetateGuanidoacetic acidME309533---116
ProlineProlineME309597---116
MethylmalonateMethylmalonic acidME309564---117
3-hydroxyisovaleric acid3-Hydroxyisovaleric acidME309462---117.03
5-Aminovaleric Acid5-Aminopentanoic acidME309464---117.98
BetaineBetaineME309488---117.99
ValineValineME309634---118
ThreonineThreonineME309622---120
NiacinamideNiacinamideME309582---123
ThymineThymineME309623---125
TaurineTaurineME309616---125.99
1-Methylhistamine1-MethylhistamineME309454---126
Pyroglutamic AcidPyroglutamic acidME309602---129.99
N-Ac-AlanineN-AcetylalanineME309569---130
PipecolatePipecolic acidME309596---130
Ethylmalonic acidEthylmalonic acidME309516---131.02
N-Carbamoyl-B-AlanineUreidopropionic acidME309579---131.02
CreatineCreatineME309498---131.98
HydroxyprolineHydroxyprolineME309540---131.99
Aminolevulinate5-Amino-levulinic acidME309477---132
Leucine /D-norleucineLeucine/IsoleucineME309553---132.01
iso-Leucine /allo-isoleucine-ME309548---132.02
OrnithineOrnithineME309586---132.9
AsparagineAsparagineME309484---133
MalateMalic acidME309558---133
AdenineAdenineME309471---134
Aspartic AcidAspartic acidME309485---134
HypoxanthineHypoxanthineME309542---134.99
erythronic acidErythronic acidME309513---135.01
threonic acidThreonic acidME309621---135.01
1-methylnicotinamide1-Methyl nicotinamideME309455---137
trigonellineTrigonellineME309624---138.01
o-phosphoethanolaminePhosphoethanolamineME309585---140
n-isobutyrylglycineIsobutyrylglycineME309583---144
GlutamineGlutamineME309525---146.99
MevalonateMevalonic acidME309565---146.99
2-Hydroxyglutarate2-Hydroxyglutaric acidME309460---147
LysineLysineME309557---147
Deoxycarnitine3-DehydroxycarnitineME309505---147.01
Glutamic acidGlutamic acidME309524---148
MethionineMethionineME309562---149.99
XanthineXanthineME309635---150.99
arabitol/xylitolArabitolME309480---151.02
GuanineGuanineME309534---152
OrotateOrotic acidME309587---155
HistidineHistidineME309537---156
AllantoinAllantoinME309476---157
n-isovalerylglycineIsovalerylglycineME309584---158
indole-3-carboxylic acidIndole-3-carboxylic acidME309544---160
SerotoninSerotoninME309612---160
CarnitineCarnitineME309491---162
xylonateXylonic acidME309637---164.99
PhenylalaninePhenylalanineME309592---165.99
EpinephrineEpinephrineME309511---166
methionine sulfoxideMethionine sulfoxideME309563---166
7-methylguanine7-MethylguanineME309469---166.01
UrateUric acidME309632---167.01
TaurocyamineTaurocyamineME309617---168
DHAPDihydroxyacetone phosphateME309508---168.99
D-GA3P-ME309507---169
PyridoxaminePyridoxamineME309601---169
1/3-Methylhistidine3-MethylhistidineME309451---169.99
Glycerol-3-Psn-Glycero-3-phosphateME309528---171
n-glycylprolineGly-ProME309581---173
CitrullineCitrullineME309496---174
ArginineArginineME309482---175
n-formylmethionineN-FormylmethionineME309580---176
InositolInositolME309547---178.97
GlucoseGlucoseME309523---178.98
MannoseMannoseME309561---179
SorbitolSorbitolME309613---180.99
mannitolMannitolME309560---181.01
TyrosineTyrosineME309627---182.1
2/3-Phosphoglyceric Acid-ME309456---185
N-Ac-L-GlutamineN-AcetylglutamineME309573---187.01
N6-Acetyl-lysineN6-AcetyllysineME309567---188.99
homoarginineHomoarginineME309538---189
N6-TrimethyllysineN-6-TrimethyllysineME309568---189.01
homocitrullineHomocitrullineME309539---190
N-Ac-MethionineN-AcetylmethionineME309574---190
GlucoronateGlucuronic acidME309522---193
Erythrose-4-phosphateErythrose 4-phosphateME309514---199
dimethylarginine (A/SDMA)DimethylarginineME309509---203
AcetylcarnitineCAR 2:0ME309470---204.1
Indole-3-LactateIndolelactic acidME309545---204.11
TryptophanTryptophanME309626---205.1
L-KynurenineKynurenineME309556---209.1
phosphocreatinePhosphocreatineME309594---212
3-Indoxyl SulfateIndoxyl sulfateME309463---212.1
PentothenatePantothenic acidME309590---218.1
CystathionineCystathionineME309501---221.1
CarnosineCarnosineME309492---227
2'-deoxycytidineDeoxycytidineME309458---228
Ribose-5-PRibose 5-phosphateME309606---229
Ribulose 5-phosphateRibulose 5-phosphateME309607---229.01
TetrahydrobiopterinSapropterinME309618---240
AnserineAnserineME309479---241
CystineCystineME309502---241.1
pseudouridinePseudouridineME309598---243
CytidineCytidineME309503---244.2
UridineUridineME309633---245.2
isovalerylcarnitineCAR 4:0;3MeME309550---246
Pyridoxal-5-PPyridoxal 5'-phosphateME309600---246
Palmitic AcidPalmitic acidME309589---255
Glycerophosphocholinesn-Glycero-3-phosphocholineME309529---258
5-methylcytidine5-MethylcytidineME309465---258.01
G1P/G6P/F6P/F1P-ME309520---259
PhosphotyrosineO-PhosphotyrosineME309595---261.99
succinylcarnitineCAR DC4:0ME309614---262
ThiamineThiamineME309619---265
DeoxyguanosineDeoxyguanosineME309506---268
AdenosineAdenosineME309472---268.2
InosineInosineME309546---269.2
6-phosphogluconic acid6-Phosphogluconic acidME309468---275
glutarylcarnitineCAR DC5:0ME309526---276
Linolenic AcidOctadecatrienoic acidME309555---277.1
Linoleic AcidLinoleic acidME309554---279.1
1-Methyladenosine1-MethyladenosineME309452---282.1
6-MethyladenosineN6-MethyladenosineME309467---282.2
XanthosineXanthosineME309636---283.1
GuanosineGuanosineME309535---284.2
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME309610---289
ArgininosuccinateArgininosuccinic acidME309483---291
5'-methylthioadenosine5'-MethylthioadenosineME309466---298
N-Acetyl-aspartyl-glutamate (naag)N-Acetyl-Asp-GluME309570---303
ArachidonateArachidonic acidME309481---303.3
DCMPdCMPME309504---306
Reduced glutathioneGlutathioneME309604---306.3
N-AcetylneuraminateN-Acetylneuraminic acidME309572---308.1
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME309566---312.2
CMPCMPME309497---322
UMPUMPME309630---325
cAMP3',5' cyclic AMPME309490---330
F16BP/F26BP/G16BP-ME309517---339
Lactose/TrehaloseLactoseME309552---341
SucroseSucroseME309615---341.01
AMPAMPME309478---346.1
IMPIMPME309543---347.1
PGEPGE2ME309591---351.2
GMPGMPME309531---364.1
riboflavinRiboflavinME309605---377
SAHS-AdenosylhomocysteineME309609---385
ErgocalciferolVitamin D2ME309512---397
S-adenosylmethionine (SAM)S-AdenosylmethionineME309608---399
CDPCDPME309493---404
Thiamine pyrophosphateThiamine diphosphateME309620---425
ADPADPME309474---426
AdenylosuccinateAdenylsuccinic acidME309473---462.1
Cholesteryl sulfateCholesterol sulfateME309494---465
CTPCTPME309500---482
ATPATPME309486---505.9
Phosphoadenosine phosphosulfate-ME309593---506
GTPGTPME309532---522
UDP-GlucoseUDP-glucoseME309629---565
UDP-GlcNAcUDP-N-acetylglucosamineME309628---606
Oxidized glutathioneOxidized glutathioneME309588---611.2
ethanolamineEthanolamineME309515---62
NADNAD+ME309575---664
NADHNADHME309576---666
MalondialdehydeMalondialdehydeME309559---71
1-methylguanidineMethylguanidineME309453---74.01
NADPNADP+ME309577---743
NADPHNADPHME309578---746
GlycineGlycineME309530---76
Trimethylamine-N-oxide (TMAO)Trimethylamine N-oxideME309625---76.1
FADFADME309518---786
PyruvatePyruvic acidME309603---87
lactateLactic acidME309551---88.99
PutrescinePutrescineME309599---89
beta alaninebeta-AlanineME309487---89.99
AlanineAlanineME309475---90


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