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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
Sebacic acidSebacic acidME637030--7.74102.06772
L-Alpha-aminobutyric acid2S-Aminobutyric acidME636988--4.74104.06833
2,3-Diaminopropionic acid2,3-Diaminopropionic acidME636921--12.28105.06992
CytosineCytosineME636960--1.74112.05044
Levulinic acidLevulinic acidME637000--4.56117.05475
IndoleIndoleME636980--5.97118.06496
L-ValineValineME636997--1.58118.0862
2,4-Diaminobutyric acid2,4-Diaminobutyric acidME636922--13.27119.08555
PhenylacetaldehydePhenylacetaldehydeME637017--15.66121.06492
Benzoic acidBenzoic acidME636952--8.42123.04421
NiacinamideNiacinamideME637012--6.81123.06043
ThymineThymineME637037--5.24127.05015
Pyrrolidonecarboxylic acidPyroglutamic acidME637024--4.95130.04981
Pyroglutamic acidPyroglutamic acidME637023--2.26130.04985
2-Methyl-3-ketovaleric acid2-Methyl-3-ketovaleric acidME636925--4.34131.07029
N-Acetyl-L-alanineN-AcetylalanineME637008--1.34132.06549
CreatineCreatineME636958--7.96132.07214
3-Methylindole3-MethylindoleME636934--5.97132.08075
Aminocaproic acidAminocaproic acidME636948--6.09132.10189
L-LeucineLeucineME636992--5.94132.10191
L-NorleucineNorleucineME636993--8.51132.102
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME636924--6.9133.08593
2-Ethyl-2-hydroxybutyric acid2-Ethyl-2-hydroxybutyric acidME636923--16.48133.086
Leucinic acidLeucinic acidME636998--14.47133.08608
HomocysteineHomocysteineME636975--4.6136.03929
AdenineAdenineME636943--5.15136.06176
HypoxanthineHypoxanthineME636979--4.73137.04578
3-Hexenedioic acid3-Hexenedioic acidME636931--1.83145.04955
CoumarinCoumarinME636957--3.19147.0441
L-Glutamic acidGlutamic acidME636990--5148.06053
N-Methyl-D-aspartic acidN-Methyl-D-aspartic acidME637011--3.53148.06055
XanthineXanthineME637041--4.99153.04074
p-OctopamineOctopamineME637014--2.98154.08399
SuccinylacetoneSuccinylacetoneME637034--18.82159.06525
DL-2-aminooctanoic acid2-Aminocaprylic acidME636965--9.83160.13347
L-CarnitineCarnitineME636989--1.15162.11253
LevoglucosanGlucosanME636999--4.5163.06133
m-Coumaric acidtrans-m-Coumaric acidME637001--5.38165.05458
3-Phenylbutyric acid3-Phenylbutyric acidME636936--15.67165.09118
2-Phenylbutyric acid2-Phenylbutyric acidME636927--9.9165.0913
L-PhenylalaninePhenylalanineME636994--5.13166.08636
BenzocaineBenzocaineME636951--6.4166.08654
Uric acidUric acidME637040--2.16169.0353
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME636930--2.31171.06279
Mevalonic acidMevalonic acidME637007--4.35171.06288
Cis-Aconitic acidcis-Aconitic acidME636954--2.96175.02282
Dehydroascorbic acidL-Dehydroascorbic acidME636962--2.19175.02375
Guanidinosuccinic acidGuanidinosuccinic acidME636972--4.48176.07068
SerotoninSerotoninME637031--4.82177.10244
GluconolactoneGluconolactoneME636968--3.7179.04853
L-TyrosineTyrosineME636996--2.99182.08163
Homovanillic acidHomovanillic acidME636976--5.67183.06522
MannitolMannitolME637003--1.23183.08637
PhosphorylcholineCholine phosphateME637019--12185.08061
Indoleacrylic acidIndoleacrylic acidME636981--5.97188.07058
Kynurenic acidKynurenic acidME636986--6.46190.05003
N-Acetylglutamic acidN-Acetylglutamic acidME637010--2.89190.07105
3-Indolepropionic acid3-Indolepropionic acidME636933--9.93190.08656
Hydroxyindoleacetic acidHydroxyindoleacetic acidME636977--5.11192.06563
5-Methoxytryptophol5-MethoxytryptopholME636939--9.68192.10259
Citric acidCitric acidME636955--2.18193.03433
Methylhippuric acidMethylhippuric acidME637005--5.13194.07888
3-Hydroxy-4-methoxycinnamic aicdIsoferulic acidME636932--5.54195.06288
L-AcetylcarnitineCAR 2:0ME636987--1.84204.12303
L-TryptophanTryptophanME636995--5.97205.09716
(R)-Lipoic acidLipoic acidME636920--0.89207.05065
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME637009--6.55208.09689
L-KynurenineKynurenineME636991--5.11209.09216
PhosphocreatinePhosphocreatineME637018--12.13212.03765
Pantothenic acidPantothenic acidME637015--5.5220.11839
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME636938--4.83221.09242
Beta-N-acetylglucosamineN-AcetylglucosamineME636953--5.33222.09522
MelatoninMelatoninME637004--6.55233.1261
3,4,5-Trimethoxycinnamic acid3,4,5-Trimethoxycinnamic acidME636929--4.98239.08504
SalbutamolSalbutamolME637028--12.03240.15537
ThymidineThymidineME637036--5.25243.09757
IsovalerylcarnitineCAR 4:0;3MeME636985--6.38246.17011
DaidzeinDaidzeinME636961--9.39255.06571
Glycerophosphocholinesn-Glycero-3-phosphocholineME636970--1.14258.1101
Alpha-Aspartyl-lysineAsp-LysME636947--12.48262.13519
AdenosineAdenosineME636944--4.59268.10412
MetoprololMetoprololME637006--11.51268.18845
InosineInosineME636982--4.74269.08876
SaccharopineSaccharopineME637027--0.76277.13709
GuanosineGuanosineME636973--4.73284.09935
XanthosineXanthosineME637042--4.99285.08306
Stearic acidStearic acidME637033--22.57285.2788
SalicinSalicinME637029--4.96287.10605
DehydroepiandrosteroneDehydroepiandrosteroneME636963--12.04289.21634
EtiocholanoloneEtiocholanoloneME636967--4.03291.232
AspartameAspartameME636950--6.4295.12889
All-trans-retinoic acidRetinoic acidME636946--0.81301.21263
SphinganineSphinganineME637032--12.07302.30556
GlutathioneGlutathioneME636969--2.12308.09115
ProgesteroneProgesteroneME637020--8.35315.22821
Cyclic AMP3',5' cyclic AMPME636959--4.99330.06386
MaltitolMaltitolME637002--1.22345.1392
Cortexolone11-DeoxycortisolME636956--10.73347.22189
Inosinic acidIMPME636983--2.12349.05454
2-Phenylaminoadenosine2-PhenylaminoadenosineME636926--10.96359.1492
Guanosine monophosphateGMPME636974--2.12364.06512
RiboflavinRiboflavinME637026--6.82377.14506
3-Oxocholic acid3-Dehydrocholic acidME636935--11.41389.26846
7a-Hydroxy-3-oxo-5b-cholanoic acid3-Ketochenodeoxycholic acidME636940--11.74391.28429
Hyodeoxycholic acidHyodeoxycholic acidME636978--20.15393.29791
3a,6b,7b-Trihydroxy-5b-cholanoic acidbeta-Muricholic acidME636937--7.45409.29235
Nutriacholic acid7-Ketolithocholic acidME637013--20.06413.26649
Aminopterin4-Aminofolic acidME636949--5.13441.16894
Adenylsuccinic acidAdenylsuccinic acidME636945--4.97464.0815
Taurocholic acidTaurocholic acidME637035--11.08516.29918
AcetoneAcetoneME636942--0.3159.04931
TrimethylamineTrimethylamineME637038--5.5460.08088
UreaUreaME637039--12.1461.03973
PyruvaldehydePyruvaldehydeME637025--7.7373.02847
Propionic acidPropionic acidME637021--4.9475.04412
GlycineGlycineME636971--3.7176.03946
PC(18:1(9Z)/18:1(9Z))PC 18:1(9Z)/18:1(9Z)ME637016--19.55786.6007
PyridinePyridineME637022--10.7180.05037
EthanolamineEthanolamineME636966--2.2584.04458
2-Pyrrolidinone2-PyrrolidinoneME636928--2.1886.06033
DiacetylDiacetylME636964--5.5387.04426
Isobutyric acidIsobutyric acidME636984--14.4989.05963
AcetoinAcetoinME636941--15.6689.05975


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