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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
1,3,5-Trimethoxybenzene1,3,5-TrimethoxybenzeneME757674--26.5957.03381
2,3-Diaminopropionic acid2,3-Diaminopropionic acidME757675--13.9105.07
2,4-Diaminobutyric acid2,4-Diaminobutyric acidME757676--14.94119.08554
2,5-Furandicarboxylic acid2,5-Furandicarboxylic acidME757677--2.59157.011
2-Furoylglycine2-FuroylglycineME757678--2.75170.04262
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME757679--16.35133.08602
2-Phenylbutyric acid2-Phenylbutyric acidME757680--11.75165.09124
2-Pyrrolidinone2-PyrrolidinoneME757681--3.4486.06032
3,4,5-Trimethoxycinnamic acid3,4,5-Trimethoxycinnamic acidME757682--10.25239.08943
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME757683--13.29171.06313
3-Aminoisobutanoic acid3-Aminoisobutanoic acidME757684--8.01104.06248
3-Hexenedioic acid3-Hexenedioic acidME757685--3.1145.04944
3-Hydroxymandelic acid3-Hydroxymandelic acidME757686--6.19169.05584
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME757687--2.99131.07029
3-Methyladipic acid3-Methyladipic acidME757688--7.36199.0427
3-Methylindole3-MethylindoleME757689--7.36132.08083
4-Aminophenol4-AminophenolME757690--7.44110.06017
4-Hydroxyprolinecis-4-HydroxyprolineME757691--0.77132.06566
5-Aminolevulinic acid5-Amino-levulinic acidME757692--1.04132.06568
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME757693--6.01221.09262
5-Hydroxytryptophol5-HydroxytryptopholME757694--3178.08637
7,8-Dihydrobiopterin7,8-DihydrobiopterinME757695--6.67240.10227
AcetaminophenAcetaminophenME757696--7.44152.07077
AdenineAdenineME757697--7.1136.06187
Adenosine monophosphateAMPME757698--3.04348.07061
ADPADPME757699--2.83428.03664
Alpha-hydroxyhippuric acidalpha-Hydroxyhippuric acidME757700--2.04196.06419
Alpha-N-phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME757701--1.99265.11215
Aminoadipic acidAminoadipic acidME757702--2.86162.07585
AndrostenedioneAndrostenedioneME757703--10.77287.19692
AndrosteroneAndrosteroneME757704--17.59291.23245
AzythromycinAzithromycinME757705--16.67771.4878
BenzaldehydeBenzaldehydeME757706--13.85107.04923
BenzeneBenzeneME757707--3.3779.05457
ButanoneButanoneME757708--7.5173.06527
Cinnamic acidCinnamic acidME757709--6.58149.05992
CortisolCortisolME757710--15.31363.21478
CreatineCreatineME757711--2.03132.07647
Cyclic AMP3',5' cyclic AMPME757712--6.01330.05997
CytosineCytosineME757713--5.93112.05049
D-AlanineD-AlanineME757714--2.0590.05517
DeoxyinosineDeoxyinosineME757717--7253.1009
D-Glucurono-6,3-lactoneGlucuronolactoneME757715--3.35177.03314
DGTPdGTPME757718--2.98508.00313
DiacetylDiacetylME757719--6.8887.04435
DigoxinDigoxinME757720--14.82391.22019
DL-2-aminooctanoic acid2-Aminocaprylic acidME757721--2.72160.13345
D-SerineD-SerineME757716--7.17106.05012
DUMPdUMPME757722--6.23309.05765
Gamma-Glutamylcysteinegamma-GlutamylcysteineME757723--7.47251.07013
GluconolactoneGluconolactoneME757724--3.37179.04855
GlucosamineGlucosamineME757725--2.82180.08797
GlutathioneGlutathioneME757726--3.37308.09041
GlycerolGlycerolME757727--2.8793.05468
Glycerophosphocholinesn-Glycero-3-phosphocholineME757728--1.71258.11042
GuaifenesinGuaifenesinME757729--10.81199.09475
GuanineGuanineME757730--3.09152.05668
Guanosine 5'-diphosphateGDPME757731--3.06444.03164
Guanosine 5'-triphosphateGTPME757732--3.06523.99806
HypoxanthineHypoxanthineME757733--3.37137.04561
IndoleIndoleME757734--7.36118.06516
Indoleacetic acidIndoleacetic acidME757735--11.8176.07088
Indoleacrylic acidIndoleacrylic acidME757736--7.36188.07079
Isobutyric acidIsobutyric acidME757737--16.3389.06004
IsovalerylcarnitineCAR 4:0;3MeME757738--7.6246.17044
L-AcetylcarnitineCAR 2:0ME757739--3.09204.12312
L-ArginineArginineME757740--1.81175.11933
L-CarnitineCarnitineME757741--1.92162.11265
L-Glutamic acidGlutamic acidME757742--1.96148.06057
L-GlutamineGlutamineME757743--3.02147.08438
L-HistidineHistidineME757744--9.45156.08073
L-Malic acidMalic acidME757745--6135.02992
L-MethionineMethionineME757746--3.35150.05814
L-NorleucineNorleucineME757747--10.77132.10196
L-PhenylalaninePhenylalanineME757748--6.58166.08629
L-ThreonineThreonineME757749--8.02120.0571
L-TryptophanTryptophanME757750--7.36205.09755
L-ValineValineME757751--2.73118.08622
MaltitolMaltitolME757752--2.02345.13936
Methylhippuric acidMethylhippuric acidME757753--9.18194.08154
Mevalonic acidMevalonic acidME757754--3.37149.08099
N-Acetyl-D-glucosamineN-AcetylglucosamineME757756--2.12222.09771
N-Acetyl-L-alanineN-AcetylalanineME757757--2.34132.06557
N-AcetylserotoninN-AcetylserotoninME757758--7.56219.11152
NiacinamideNiacinamideME757760--3.38123.05518
N-MethylnicotinamideN-MethylnicotinamideME757759--1.93137.07087
N,N-DimethylformamideN,N-DimethylformamideME757755--6.3974.06052
NormetanephrineNormetanephrineME757761--6.9184.09713
OxypurinolOxypurinolME757762--6.28153.04069
Pantothenic acidPantothenic acidME757763--6.9220.11813
PC(16:0/16:0)PC 16:0/16:0ME757764--21.41734.56945
PhenylacetaldehydePhenylacetaldehydeME757765--17.73121.06485
Phenylacetic acidPhenylacetic acidME757766--12.17137.05988
PhenylacetylglycinePhenylacetylglycineME757767--6.59194.07912
PhosphocreatinePhosphocreatineME757768--13.85212.03786
Phosphoric acidPhosphoric acidME757769--2.0998.98431
Propionic acidPropionic acidME757770--2.0175.04438
PyridinePyridineME757771--3.3780.04983
Pyroglutamic acidPyroglutamic acidME757772--3.35130.04979
PyruvaldehydePyruvaldehydeME757773--3.3973.02868
Quinic acidQuinic acidME757774--6.06215.05301
RhamnoseRhamnoseME757775--2.02165.07591
SaccharopineSaccharopineME757776--13.22277.14169
SpermineSpermineME757777--1.44203.22332
SphingosineSphingosineME757778--14.61300.29009
Stearic acidStearic acidME757779--0.94285.27925
Succinic acidSuccinic acidME757780--3119.03518
SuccinylacetoneSuccinylacetoneME757781--10.83159.0653
Syringic acidSyringic acidME757782--7.85199.05805
Tartaric acidTartaric acidME757783--3.37151.0213
Taurocholic acidTaurocholic acidME757784--12.85516.29056
ThymidineThymidineME757785--10.13243.0881
TiglylglycineTiglylglycineME757786--21.85158.08139
TolnaftateTolnaftateME757787--9.64308.11172
TrehaloseTrehaloseME757788--9.78343.12906
UracilUracilME757789--3.27113.03451
UreaUreaME757790--13.8561.04007
Ureidosuccinic acidN-Carbamoylaspartic acidME757791--14.6177.05496
Uric acidUric acidME757792--3.37169.03173
UridineUridineME757793--14.6245.07886
Urocanic acidUrocanic acidME757794--0.47139.05025
VerapamilVerapamilME757795--8.46455.28677
XanthosineXanthosineME757796--6.28285.08347


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