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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-O-Palmitoyl-Cer(d18:1/18:0)-ME910533--8.1502.5
24-Hydroxycholesterol24S-HydroxycholesterolME910534--2367.3
24-Hydroxycholesterol(d7)24S-HydroxycholesterolME910535--2367.3
3-O-SulfoLacCer(d18:1/18:0)-ME910536--5.2548.5
4-beta-Hydroxycholesterol4beta-Hydroxy-cholesterolME910537--2.14385.3
7-keto-Cholesterol7-Oxo-cholesterolME910538--3.1383.3
CE(16:1)CE 16:1ME910544--8.38369.3
CE(18:1)CE 18:1ME910546--8.52369.3
CE(18:1(d7))-ME910545--8.43369.4
CE(18:2)CE 18:2ME910547--8.31369.3
CE(20:4)CE 20:4ME910548--8.19369.3
CE(20:5)CE 20:5ME910549--7.87369.3
CE(22:6)CE 22:6ME910550--7.94369.3
CE HETE-ME910539--7.27369.2
CE HODE-ME910540--7.32369.2
CE HpODE-ME910541--6.76369.2
CE oxoHETE-ME910542--6.65369.2
CE oxoODE-ME910543--6.73369.2
Cer(d18:0/16:0)Cer 18:0;O2/16:0ME910551--6.3284.3
Cer(d18:0/18:0)Cer 18:0;O2/18:0ME910552--6.5284.3
Cer(d18:0/24:0)Cer 18:0;O2/24:0ME910553--7.52284.3
Cer(d18:0/24:1)Cer 18:0;O2/24:1ME910554--7.2284.4
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME910556--5.68264.3
Cer(d18:1/16:0(d7))-ME910555--5.71271.4
Cer(d18:1/18:0)Cer 18:1;O2/18:0ME910557--6.15264.3
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME910558--7.27264.3
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME910559--6.85264.3
CholesterolCholesterolME910560--5.18369.3
Cholesterol(d7)-ME910561--5.17376.2
Cholesteryl hexoside-ME910562--3.87369.3
Coenzyme Q10Coenzyme Q10ME910563--7.6197.2
DG(15:0/18:1(d7))-ME910564--6.19346.5
DG(16:0_18:1)DG 16:0_18:1ME910565--6.4313.3
DG(16:0_20:4)DG 16:0_20:4ME910566--5.91313.3
DG(18:0_18:1)DG 18:0_18:1ME910567--6.76341.3
DG(18:0_20:4)DG 18:0_20:4ME910568--6.36341.3
DG(18:0_22:6)DG 18:0_22:6ME910569--5.94341.3
DG(18:1/18:1)DG 18:1_18:1ME910570--6.4339.3
DG(18:1_20:4)DG 18:1_20:4ME910571--5.9339.3
GB3(d18:1/16:0)-ME910572--5520.5
GB3(d18:1/18:0)-ME910574--5.5548.6
GB3(d18:1/18:0(d3))-ME910573--5.51551.6
GB3(d18:1/24:0)-ME910575--6.77632.6
GB3(d18:1/24:1)-ME910576--6.33630.6
GlcCer(d18:1/16:0(d3))-ME910579--5.36264.3
GlcCer(d18:1(d5)/18:0)-ME910577--5.78269.3
Glucosylsphingosine(d5)-ME910580--1.52269.3
HexCer(d18:1/12:0)HexCer 18:1;O2/12:0ME910578--4.2264.3
HexCer(d18:1/16:0)HexCer 18:1;O2/16:0ME910581--5.37264.3
HexCer(d18:1/18:0)HexCer 18:1;O2/18:0ME910582--5.77264.3
HexCer(d18:1/22:0)HexCer 18:1;O2/22:0ME910583--6.58264.4
HexCer(d18:1/24:0)HexCer 18:1;O2/24:0ME910584--6.9264.3
HexCer(d18:1/24:1)HexCer 18:1;O2/24:1ME910585--6.54264.3
Hexosylsphingosine-ME910586--1.3264.2
LacCer(d18:1/16:0)LacCer 18:1;O2/16:0ME910587--5.19264.3
LacCer(d18:1/17:0)LacCer 18:1;O2/17:0ME910588--5.46264.3
LacCer(d18:1/18:0)LacCer 18:1;O2/18:0ME910589--5.68264.3
LacCer(d18:1/24:0)LacCer 18:1;O2/24:0ME910590--6.82264.3
LacCer(d18:1/24:1)LacCer 18:1;O2/24:1ME910591--6.45264.3
Lactosylsphingosine-ME910592--1.4264.3
LPC(16:0)LPC 16:0ME910593--2184.1
LPC(16:1)LPC 16:1ME910594--1.63184.1
LPC(18:0)LPC 18:0ME910595--2.55184.1
LPC(18:1)LPC 18:1ME910597--2.05184.1
LPC(18:1(d7))LPC 18:1ME910596--2.04184.1
LPC(20:4)LPC 20:4ME910598--1.64184.1
LPC(22:6)LPC 22:6ME910599--1.57184.1
LPC(24:0)LPC 24:0ME910600--4.28184.1
LPC(24:1)LPC 24:1ME910601--3.6184.1
LPC(26:0)LPC 26:0ME910602--5.06104.1
LPC(26:1)LPC 26:1ME910603--4.27104.1
lyso-GB3-ME910604--1.16282.2
lyso-GB3-d7-ME910605--1.38289.3
lyso-GB4-ME910606--1.04282.2
MG(16:0)MG 16:0ME910607--2.48239.3
MG(16:1)MG 16:1ME910608--2237.3
MG(18:0)MG 18:0ME910609--3.04267.3
MG(18:1)MG 18:1ME910611--2.74265.3
MG(18:1(d7))-ME910610--2.73272.5
MG(20:4)MG 20:4ME910612--1.96287.3
N-OleoylethanolamineOleoyl-EAME910613--2.1762.1
N-Palmitoyl-O-phosphocholineserine-ME910614--1.89184.1
Palmitoylethanolamine-ME910615--2.1162.1
PC(15:0/18:1(d7))-ME910616--5.37184.1
PC(16:0/5:0(CHO))-ME910617--1.95184.1
PC(16:0/9:0(CHO))-ME910618--2.21184.1
PC(16:0/9:0(COOH))-ME910619--2.04184.1
PC(18:0/20:4(OH[S]))-ME910620--4.31184.1
PC(18:0/20:4(OOH[S]))-ME910621--4.24184.1
PC(34:1)PC 34:1ME910622--5.7184.1
PC(36:1)PC 36:1ME910623--6.1184.1
PC(36:2)PC 36:2ME910624--5.69184.1
PC(36:4)PC 36:4ME910625--5.16184.1
PC(38:4)PC 38:4ME910626--5.59184.1
PC(38:6)PC 38:6ME910627--4.92184.1
PC(40:5)PC 40:5ME910628--5.61184.1
PC(40:6)PC 40:6ME910629--5.46184.1
PC(O-16:0/0:0)PC O-16:0/0:0ME910630--1.77184.1
PC(O-16:0/2:0)PC O-16:0/2:0ME910631--1.56184.2
PC(O-18:0/2:0)PC O-18:0/2:0ME910632--2.54184.1
PE(15:0/18:1(d7))-ME910633--5.52570.5
PE(18:0/20:4(OH[S]))-ME910634--4.28643.4
PE(18:0/20:4(OOH[S]))-ME910635--4.23659.4
PE(34:1)PE 34:1ME910636--5.8577.6
PE(36:1)PE 36:1ME910637--6.22605.5
PE(36:2)PE 36:2ME910638--5.85603.5
PE(36:4)PE 36:4ME910639--5.3599.5
PE(38:4)PE 38:4ME910640--5.77627.5
PE(38:5)PE 38:5ME910641--5.31625.5
PE(38:6)PE 38:6ME910642--5.07623.5
PE(40:4)PE 40:4ME910643--6.01655.5
PE(40:5)PE 40:5ME910644--5.8635.5
PE(40:6)PE 40:6ME910645--5.59651.5
PE(40:7)PE 40:7ME910646--5.15649.5
Sitosteryl hexoside-ME910647--4.45397.4
SM(d18:1/16:0)SM 18:1;O2/16:0ME910649--5.22184.1
SM(d18:1/18:0)SM 18:1;O2/18:0ME910650--5.74184.1
SM(d18:1/24:0)SM 18:1;O2/24:0ME910651--6.9184.1
SM(d18:1/24:1)SM 18:1;O2/24:1ME910652--6.5184.1
SM(d18:1(d9)/18:1)-ME910648--5.24184.1
SphinganineSphinganineME910653--1.88284.3
Sphinganine 1-phosphateSphinganine 1-phosphateME910654--1.68284.3
SphingosineSphingosineME910655--1.68264.3
Sphingosine 1-phosphateSphingosine 1-phosphateME910656--1.45264.3
Sphingosine 1-phosphate-d7Sphingosine 1-phosphateME910657--1.53271.3
Sphingosine 1-phosphocholineSphingosine-1-phosphocholineME910658--1.12184.1
Sphingosine(d17:1)-ME910659--1.52250.3
TG(15:0/18:1(d7)/15:0)-ME910660--8.15570.8
TG(18:0_36:2)TG 54:2_18:0ME910661--8.55603.4
TG(18:1_34:2)TG 52:3_18:1ME910662--8.14575.4
TG(18:1_34:3)TG 52:4_18:1ME910663--7.95573.4
TG(20:4_32:1)TG 52:5_20:4ME910664--7.78549.3
TG(20:4_34:2)TG 54:6_20:4ME910665--7.94575.3
TG(20:4_34:3)TG 54:7_20:4ME910666--7.68573.3
TG(20:4_36:0)TG 20:4_36:0*ME910667--8.18607.5
TG(20:4_36:2)TG 56:6_20:4ME910668--7.95603.4
TG(20:4_36:3)TG 56:7_20:4ME910669--7.9601.4
TG(22:6_36:2)TG 22:6_36:2*ME910670--7.86603.4
TG(22:6_38:1)TG 22:6_38:1*ME910671--8.29633.4
TG(22:6_38:2)TG 22:6_38:2*ME910672--8.1631.4


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
TG(15:0/18:1(d7)/15:0)-ME910673--8.18570.8
TG(18:0_36:2)TG 54:2_18:0ME910674--8.56603.4
TG(18:1_34:2)TG 52:3_18:1ME910675--8.18575.4
TG(18:1_34:3)TG 52:4_18:1ME910676--8573.4
TG(20:4_32:1)TG 52:5_20:4ME910677--7.91549.3
TG(20:4_34:2)TG 54:6_20:4ME910678--7.9575.3
TG(20:4_34:3)TG 54:7_20:4ME910679--8.26573.3
TG(20:4_36:0)TG 20:4_36:0*ME910680--8.51607.5
TG(20:4_36:2)TG 56:6_20:4ME910681--8.1603.4
TG(20:4_36:3)TG 56:7_20:4ME910682--7.84601.4
TG(22:6_36:2)TG 22:6_36:2*ME910683--8.27603.4
TG(22:6_38:1)TG 22:6_38:1*ME910684--7.25633.4
TG(22:6_38:2)TG 22:6_38:2*ME910685--6.42631.4


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
1,3-15N2-Uric acid-ME910690--5.29143
13C10,15N5-Adenosine-ME910691--4.09146.1
13C3-ThiamineThiamineME910692--5.09122.1
13C5-HypoxanthineHypoxanthineME910693--3.94124
13C5-XanthosineXanthosineME910694--4.72153
15N4-InosineInosineME910695--4.37141
1-Methylhistidine1-MethylhistidineME910686--6.61124
1-Methylnicotinamide1-Methyl nicotinamideME910687--4.3194
1-Methylxanthine1-MethylxanthineME910688--2.9110
1-Methylxanthosine-ME910689--2.79167.1
2-Aminobenzoic acid2-Aminobenzoic acidME910696--1.0592
3-Hydroxybutyric acid3-Hydroxybutyric acidME910698--1.387
3-HydroxykynurenineHydroxykynurenineME910699--0.95179.1
3-Hydroxy-N6,N6,N6-Trimethyllysine3-Hydroxy-N6,N6,N6-trimethyl-lysineME910697--6.77128.1
3-Hydroxytyrosol-ME910700--3.71119
3-Methoxytyrosine3-MethoxytyrosineME910701--5.32166.1
3-Methylxanthine3-MethylxanthineME910702--3.169
3-Methylxanthosine-ME910703--2.98167.1
4-Hydroxyprolinecis-4-HydroxyprolineME910704--5.968.1
4-Trimethylammoniobutanal-ME910705--6.8671.1
5-Glutamylalaninegamma-GlutamylalanineME910706--790.1
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME910707--1.6146.1
5-Hydroxytryptophan5-Hydroxy-tryptophanME910708--4.9175
5'-Methylthioadenosine5'-MethylthioadenosineME910709--2.82136
6-Aminouracil-ME910710--4.385
6C13-Phenylalanine-ME910711--4.92126.1
6C13-Tyrosine-ME910712--5.25142.1
7-alpha-Hydroxy-3-oxo-4-cholestenoate7alpha-Hydroxy-3-oxo-4-cholestenoic acidME910713--1.52395.3
7-Methylguanine7-MethylguanineME910714--4.32124.1
7-Methylguanosine7-MethylguanosineME910715--5.48166
7-Methylxanthine7-MethylxanthineME910716--3.369
7-Methylxanthosine7-MethylxanthosineME910717--3.2167.1
8-Hydroxy-deoxyguanosine8-Hydroxy-deoxyguanosineME910718--5.18140
8-Hydroxyguanosine8-HydroxyguanosineME910720--4.93171
8-Oxo-deoxyguanosine-13C,15N2-ME910719--4.8168
9-HexadecenoylcarnitineCAR 16:1ME910721--3.1285
AcetylcarnitineCAR 2:0ME910722--4.0885
Acetylcarnitine-d3CAR 2:0ME910723--4.2485
AdenineAdenineME910724--4.05119
AdenosineAdenosineME910725--3.86136.1
Adenosine diphosphate riboseADP-riboseME910726--7.31136.1
AdenosylcobalaminAdenosylcobalaminME910727--6676.3
AICA-ribosideAICARME910728--4.43110
AlanineAlanineME910729--5.6844.2
Alanine-d4AlanineME910730--5.6848.1
alpha-Tocopherolalpha-TocopherolME910731--0.81165.1
ArabitolArabitolME910732--5.05153.1
ArginineArginineME910733--6.8670
Arginine-d4C13-ME910734--6.8575
AscorbateVitamin CME910735--3.895
AsparagineAsparagineME910736--6.2974
Aspartic acidAspartic acidME910737--6.3374
Aspartic acid-d3Aspartic acidME910738--6.4675
Asymmetric dimethylarginineDimethylarginineME910739--6.3570.3
BetaineBetaineME910740--4.8859.1
Betaine-d11BetaineME910741--4.9268.1
BilirubinBilirubinME910742--1.01299.1
Butyrobetaine3-DehydroxycarnitineME910743--4.387
ButyrylcarnitineCAR 4:0ME910744--3.785
Butyrylcarnitine-d3CAR 4:0ME910745--3.8385
CadaverineCadaverineME910746--7.2186.1
cADPRiboseCyclic ADP-riboseME910747--7.4136.1
CaffeineCaffeineME910748--1.26138
CapsaicinCapsaicinME910749--1.28137.1
CarnitineCarnitineME910750--4.94103.1
Carnitine-d9CarnitineME910751--4.9585
CholineCholineME910752--4.1260
CitrullineCitrullineME910753--6.36113.1
Citrulline-d2CitrullineME910754--6.21115.1
CotinineCotinineME910755--1.7780
CreatineCreatineME910756--5.5790
CreatinineCreatinineME910757--4.2744.1
Creatinine-d3CreatinineME910758--4.3386
CurcuminCurcuminME910759--1.01177
CyanocobalaminCyanocobalaminME910760--6.09997.5
CystathionineCystathionineME910761--7134
CysteineCysteineME910762--5.6576
CysteinylglycineCys-GlyME910763--6.86162.2
CystineCystineME910764--7.2574
CytosineCytosineME910765--4.9494.9
DecanoylcarnitineCAR 10:0ME910766--3.4585
Demethoxycurcumin-ME910767--1.31255.2
DeoxyadenosineDeoxyadenosineME910768--3.67136
DeoxyguanosineDeoxyguanosineME910769--4.67152
DeoxyinosineDeoxyinosineME910770--3.6137
DimethylethanolamineDimethylethanolamineME910771--4.2572
DimethylglycineDimethylglycineME910772--5.558
DNL201-ME910773--1.08313.2
DodecanoylcarnitineCAR 12:0ME910774--3.8585
DopaDOPAME910775--5.62152
DopamineDopamineME910776--4.72137
Dopamine 3-o-sulfateDopamine 3-O-sulfateME910777--3.7137.1
Dopamine 4-o-sulfateDopamine 4-sulfateME910778--3.9137.2
EpinephrineEpinephrineME910779--4.92107
ErgothioneineErgothioneineME910780--5.5127
EthanolamineEthanolamineME910781--5.2344.2
Formylanthranilic acidFormylanthranilic acidME910782--1.3120
gamma-Aminobutyric acidgamma-Aminobutyric acidME910783--5.0887
Gamma-Glutamylcysteinegamma-GlutamylcysteineME910784--6.46122
GlucosamineGlucosamineME910785--6.45162
GlucoseGlucoseME910786--4.95202.8
Glutamic acidGlutamic acidME910788--5.9284
Glutamic acid-d3Glutamic acidME910787--5.91133.1
GlutamineGlutamineME910789--6.0584
GlutathioneGlutathioneME910790--6.01179.1
Glutathione disulfideOxidized glutathioneME910791--7.48355.1
Glutathione-(glycine-13C2,15N)-ME910792--6.3182.1
Glycerophosphocholinesn-Glycero-3-phosphocholineME910793--6.04104
GlycineGlycineME910794--5.8930
GuanineGuanineME910795--4.72110
GuanosineGuanosineME910796--5.09152
HexanoylcarnitineCAR 6:0ME910797--3.4785
HistamineHistamineME910798--6.4795
HistidineHistidineME910799--6.93110.1
HomocysteineHomocysteineME910800--5.0490.1
HomoserineHomoserineME910801--5.8456.2
HydroxybutyrylcarnitineCAR 4:0;OHME910802--4.5885
HydroxyhexanoylcarnitineCAR 6:0;OHME910803--4.585
Hydroxyisovaleroyl carnitineCAR 4:0;OH,MeME910804--4.2285
HydroxypropionylcarnitineCAR 3:0;OHME910805--4.985
HypoxanthineHypoxanthineME910806--3.7118.8
Imidazoleacetic acidImidazoleacetic acidME910807--5.381
IndoleIndoleME910808--191
InosineInosineME910809--4.32137
IsovalerylcarnitineCAR 4:0;3MeME910810--3.5885
Isovalerylcarnitine-d9CAR 4:0;3MeME910811--3.785
Kynurenic acidKynurenic acidME910812--4.27116
KynurenineKynurenineME910813--4.81146
LeucineLeucineME910814--4.7386
Leucine-d3LeucineME910815--4.7389.1
Linoleyl carnitineCAR 18:2ME910816--2.9685
LPC(18:1(d7))LPC 18:1ME910817--3.79184.1
LysineLysineME910818--6.9384
MannitolMannitolME910819--5.4469
MannoseMannoseME910820--5.5202.8
MelatoninMelatoninME910821--3.84174.1
MethionineMethionineME910822--5.03104.1
Methionine-d3MethionineME910824--5.03107
Methionine S-oxideMethionine sulfoxideME910823--6.0474
MethylcobalaminMethylcobalaminME910825--6.04971.5
MyristoylcarnitineCAR 14:0ME910826--2.985
Myristoylcarnitine-d9CAR 14:0ME910827--3.1585
N15C13-Glycine-ME910843--5.8932
N1-AcetylspermidineN1-AcetylspermidineME910837--6.5171
N1-Acetylspermidine-d6N1-AcetylspermidineME910838--6.5106.2
N1-AcetylspermineN1-AcetylspermineME910839--7.7100.1
N1-N12-Diacetylspermine-ME910840--6.1100.1
N1-N8-Diacetylspermidine-ME910841--4.93100.2
N1-N8-Diacetylspermidine-d6-ME910842--4.69103.2
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME910844--6.5584.1
N-AcetylalanineN-AcetylalanineME910828--1.872.1
N-Acetylaspartic acidN-Acetylaspartic acidME910829--3.41176.1
N-AcetylcysteineN-AcetylcysteineME910830--1.3121.2
N-Acetylglutamic acidN-Acetylglutamic acidME910831--3.49130
N-Acetylneuraminic acidN-Acetylneuraminic acidME910832--6.69274
N-AcetylputrescineN-AcetylputrescineME910833--4.89114
N-AcetylserineN-AcetylserineME910834--3.54106
NADNADME910845--7428.2
N-Alpha-acetyllysineN(2)-AcetyllysineME910835--5.6984
NiacinamideNiacinamideME910846--1.7880
Niacinamide-d4NiacinamideME910847--1.8884
Nicotinamide mononucleotideNicotinamide ribotideME910848--6.6123.1
Nicotinamide ribosideNicotinamide ribosideME910849--5.48123
Nicotinic acidNicotinic acidME910850--1.8778
NitrotyrosineNitrotyrosineME910851--4.78210
N,N'-Bis(gamma-glutamyl)cystine-ME910836--7453.1
NonanoylcarnitineCAR 9:0ME910852--3.385
NorepinephrineNorepinephrineME910853--5.1107
OctanoylcarnitineCAR 8:0ME910854--3.3185
Octanoylcarnitine-d3CAR 8:0ME910855--3.4485
OrnithineOrnithineME910856--6.9870
Ornithine-d2OrnithineME910857--6.98117.2
PalmitoylcarnitineCAR 16:0ME910858--385
Palmitoylcarnitine-d3CAR 16:0ME910859--3.0885
ParaxanthineParaxanthineME910860--1.85124
PhenylalaninePhenylalanineME910861--4.72120.1
Piperanine-ME910862--1.34135.2
PiperinePiperineME910863--1.04201.1
Pipernonaline-ME910864--1.3229.2
Piperyline(E,E)-TrichostachineME910865--1.39201.1
ProlineProlineME910866--5.4670.1
PropionylcarnitineCAR 3:0ME910867--3.8485
Propionylcartinine-d3-ME910868--3.8485
PutrescinePutrescineME910869--6.372
PyridoxaminePyridoxamineME910870--6.02152
Pyroglutamic acidPyroglutamic acidME910871--3.0384
S-AdenosylhomocysteineS-AdenosylhomocysteineME910872--6.35136
S-AdenosylmethionineS-AdenosylmethionineME910873--7.13250
SarcosineSarcosineME910874--5.5744.1
SerineSerineME910875--6.1160
SerotoninSerotoninME910876--4.42160
SpermidineSpermidineME910877--7.872
SpermineSpermineME910878--4.95129.1
StearoylcarnitineCAR 18:0ME910879--3.0285
SucroseSucroseME910880--5.97202.8
TaurineTaurineME910881--5.1780.1
TetrahydrocurcuminTetrahydrocurcuminME910882--1.38137.1
TheobromineTheobromineME910883--2.1138.3
TheophyllineTheophyllineME910884--1.7124
ThiamineThiamineME910885--5.07122
ThreonineThreonineME910886--5.8674
TrigonellineTrigonellineME910887--5.394.1
Trimethylamine-d9 N-oxide-ME910888--4.1766
Trimethylamine-N-oxideTrimethylamine N-oxideME910889--4.0758.1
TryptophanTryptophanME910890--4.73146.1
TyrosineTyrosineME910891--5.4136
UracilUracilME910892--2.4770
Ureidopropionic acidUreidopropionic acidME910893--3.24115
Uric acidUric acidME910894--5.28141
UridineUridineME910895--3.91113
Valerobetaine-ME910896--3.96101.1
Valerobetaine-d9-ME910897--4.09101.1
ValineValineME910898--5.3755
Valine-d8ValineME910899--5.1780.1
XanthineXanthineME910900--4.23110
XanthosineXanthosineME910901--5.03153


Analysis: Ion exchange NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
13C3-Citric acidCitric acidME910902--3.77113
13C4-Fumaric acidFumaric acidME910903--3.2874.3
13C4-Malic acidMalic acidME910904--3.26119.2
13C4-Succinic acidSuccinic acidME910905--3.0776
13C5-Oxoglutaric acid2-Oxoglutaric acidME910906--2.97105.3
13C6-Benzoic acidBenzoic acidME910907--0.5183
13C8-Octanic acid-ME910908--1.04151.1
15N5-ADPADPME910909--3.5579
2-Hydroxyglutarate2-Hydroxyglutaric acidME910910--2.97101
2-Phosphoglyceric acid2-Phosphoglyceric acidME910911--3.6697.1
3-Hydroxybutyric acid3-Hydroxybutyric acidME910912--0.9459.2
3-Phosphoglyceric acid3-Phosphoglyceric acidME910913--3.6797
6-Phosphogluconic acid6-Phosphogluconic acidME910914--3.7797
Acetoacetic acidAcetoacetic acidME910915--0.31101
Adenosine monophosphateAMPME910916--3.2779
Adenosine triphosphateATPME910917--3.71158.9
Adenosine triphosphate-d4ATPME910918--3.7158.9
ADPADPME910919--3.5379
AlanineAlanineME910920--2.1888
Alanine-d4AlanineME910921--292
ArginineArginineME910922--3.95131
Arginine-d4C13-ME910923--3.96136
AsparagineAsparagineME910924--2.48114
Aspartic acidAspartic acidME910925--3.0588
Aspartic acid-d3Aspartic acidME910926--3.0691
cis-Aconitic acidcis-Aconitic acidME910927--3.29129
Dihydroxyacetone phosphateDihydroxyacetone phosphateME910929--3.3579
Erythose 4-phosphateErythrose 4-phosphateME910930--3.6597
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME910931--3.4879
Fructose 1-phosphateFructose 1-phosphateME910960--3.6379
Fructose 6-phosphateFructose 6-phosphateME910932--3.597.1
Fumaric acidFumaric acidME910933--6.3471.3
Glucose 1-phosphateGlucose 1-phosphateME910934--3.62241
Glucose 6-phosphateGlucose 6-phosphateME910935--3.6497
Glutamic acidGlutamic acidME910936--3.06128
Glutamic acid-d3Glutamic acidME910937--3.02131
GlutamineGlutamineME910938--2.46127
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME910939--3.3597
Lactic acidLactic acidME910940--0.8743.2
Malic acidMalic acidME910941--3.46115.2
NADNADME910942--3.22540.3
NADHNADHME910943--3.03408.1
NADPNADPME910944--3.92620
NADPHNADPHME910945--3.75408
Oxalacetic acidOxaloacetic acidME910946--3.63131
Oxoglutaric acid2-Oxoglutaric acidME910947--2.96101.3
PhosphocreatinePhosphocreatineME910948--3.6879
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME910949--3.7879
Pyruvic acidPyruvic acidME910950--0.543.2
Ribose 5-phosphateRibose 5-phosphateME910951--3.3597
Ribulose 5-phosphateRibulose 5-phosphateME910952--3.4297.1
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME910953--3.5597
SerineSerineME910954--2.4474
Succinic acidSuccinic acidME910955--3.0773.2
Sum of Citric acid and Isocitric acid-ME910928--3.77111
U-13C10,U-15N5-Adenosine monophosphate23-Nordeoxycholic acidME910956--3.2879
U-13C3-Pyruvic acid-ME910957--0.4945.2
U-13C6-Glucose 6-phosphate-ME910958--3.7197
Xylulose 5-phosphateXylulose 5-phosphateME910959--3.3497


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