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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
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME563251--10.01119.07261
Indole-3-carbinolIndole-3-carbinolME563299--10.01148.0756
L-PhenylalaninePhenylalanineME563301--10.01166.08626
Trans-Cinnamic acidtrans-Cinnamic acidME563300--10.01149.05985
2-Ketohexanoic acid2-Ketocaproic acidME563252--10.11131.07018
BenzamideBenzamideME563302--10.19122.05782
GlycylprolineGly-ProME563253--10.21173.09208
Isoferulic acidIsoferulic acidME563304--10.3195.06303
L-DopaDOPAME563303--10.3198.07387
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME563254--10.32208.10044
1,3-Dimethyluric acid1,3-Dimethyluric acidME563305--10.35197.06903
TheobromineTheobromineME563306--10.46181.07224
Picolinic acidPicolinic acidME563307--10.56124.03957
5'-Methylthioadenosine5'-MethylthioadenosineME563255--10.61298.09709
3-Methoxytyramine3-MethoxytyramineME563256--10.64168.09977
PropanalPropanalME563257--10.6459.04962
3-Methylindole3-MethylindoleME563259--10.83132.0808
Alpha-ketoisovaleric acidKetoisovaleric acidME563258--10.83117.05728
Indoleacrylic acidIndoleacrylic acidME563308--10.83188.07056
L-TryptophanTryptophanME563309--10.83205.09729
AcetaminophenAcetaminophenME563260--10.88152.07068
TheophyllineTheophyllineME563310--10.91181.07214
IsovalerylcarnitineCAR 4:0;3MeME563311--11.23246.17034
Nicotinuric acidNicotinuric acidME563312--11.57181.06133
Kynurenic acidKynurenic acidME563261--11.62190.05021
CaffeineCaffeineME563313--11.72195.08776
DL-2-aminooctanoic acid2-Aminooctanoic acidME563314--11.78160.13361
3,4,5-Trimethoxycinnamic acid3,4,5-Trimethoxycinnamic acidME563262--12.47239.08943
TrimethylamineTrimethylamineME563263--12.6760.08128
5-Methoxytryptophol5-MethoxytryptopholME563315--13.2192.10195
4-Hydroxy-3-methylbenzoic acid-ME563264--13.75153.05472
4-Methylcatechol4-MethylcatecholME563265--13.75125.05972
RhamnoseRhamnoseME563266--13.81165.07601
Indolelactic acidIndolelactic acidME563316--13.98206.08154
N-Acetyl-L-tyrosineN-AcetyltyrosineME563267--14.73224.08966
Heparin-ME563268--14.811040.05107
Acetic acidAcetic acidME563318--15.0161.02892
SuccinylacetoneSuccinylacetoneME563317--15.03159.06538
GuaifenesinGuaifenesinME563319--15.07199.09449
ButanoneButanoneME563269--16.6273.06536
PyruvaldehydePyruvaldehydeME563270--16.6473.02823
Pregnenolone sulfatePregnenolone sulfateME563271--16.76397.20052
AcetaldehydeAcetaldehydeME563320--16.7745.03407
SphinganineSphinganineME563321--17.24302.30569
2-Phenylaminoadenosine2-PhenylaminoadenosineME563322--17.45381.13111
Pipecolic acidPipecolic acidME563244--1.77130.08637
L-LysineLysineME563245--1.8147.11306
UridineUridineME563272--18.17245.07839
Deoxycholic acid glycine conjugateGlycodeoxycholic acidME563323--18.73450.3215
SaccharopineSaccharopineME563246--1.9277.13726
2,2-Dimethylsuccinic acid2,2-Dimethylsuccinic acidME563324--19.83147.06539
CinnamaldehydeCinnamaldehydeME563273--19.86133.06498
Linoleic acidLinoleic acidME563325--19.95281.2479
EthanolamineEthanolamineME563274--20.2262.06067
DiacetylDiacetylME563326--20.5287.04457
Isobutyric acidIsobutyric acidME563275--20.5289.06012
CreatinineCreatinineME563276--3.03114.0662
L-ValineValineME563277--3.08118.0863
L-CarnitineCarnitineME563278--3.11162.11269
Indole-3-carboxylic acidIndole-3-carboxylic acidME563247--3.16162.05034
PyridinePyridineME563280--3.2580.04995
N-Methyl-a-aminoisobutyric acidN-Methyl-alpha-aminoisobutyric acidME563279--3.27118.08632
2-Aminobenzoic acid2-Aminobenzoic acidME563281--3.29138.0544
L-GlutamineGlutamineME563282--3.42147.07673
L-ProlineProlineME563283--3.48116.07066
Phosphoric acidPhosphoric acidME563284--3.6598.98433
N,N-DimethylformamideN,N-DimethylformamideME563285--3.6774.06055
L-AcetylcarnitineCAR 2:0ME563286--3.71204.12335
N-Acetyl-L-alanineN-AcetylalanineME563287--3.77132.0656
L-MethionineMethionineME563288--3.88150.05837
L-Aspartic acidAspartic acidME563289--3.93134.04476
Pyroglutamic acidPyroglutamic acidME563290--4.67130.04997
Uric acidUric acidME563291--4.76169.03577
GlycerolGlycerolME563292--593.05484
L-LeucineLeucineME563293--5.79132.10206
o-Tyrosineo-TyrosineME563248--6.05182.08148
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME563294--7.65171.06304
L(-)-Nicotine pestanalNicotineME563249--9.37163.12329
3-Hydroxy-4-methoxycinnamic aicdIsoferulic acidME563295--9.71195.06547
ThymineThymineME563250--9.92127.05027
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME563298--9.94192.0658
L-KynurenineKynurenineME563297--9.94209.09243
Quinaldic acidQuinaldic acidME563296--9.94174.05534


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