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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-Dimethyluric acid1,3-Dimethyluric acidME545786--11.77197,07091
16-Dehydroprogesterone16,17-DidehydroprogesteroneME545787--15.31313,21995
1-Butanol1-ButanolME545788--22.6475,08273
2,5-Furandicarboxylic acid2,5-Furandicarboxylic acidME545789--0.84157,01761
2-Hydroxycaproic acid2-Hydroxyhexanoic acidME545790--10.41133,08571
2-Hydroxyphenethylamine2-HydroxyphenethylamineME545791--7.27138,09106
2-Phenylaminoadenosine2-PhenylaminoadenosineME545792--13.71359,14796
2-Pyrrolidinone2-PyrrolidinoneME545793--1.2586,06025
3,5-Dimethoxyphenol-ME545794--9.11155,06978
3-Hexenedioic acid3-Hexenedioic acidME545795--7.4145,04867
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME545796--1.5163,06024
3-Methoxyphenylacetic acid-ME545797--11.07167,0714
3-Methylindole3-MethylindoleME545798--14.57132,08049
5-Dodecenoic acid5-Dodecenoic acidME545799--17.44199,16732
5-Hydroxytryptophol5-HydroxytryptopholME545800--10.84178,08658
5-Methoxytryptophol5-MethoxytryptopholME545801--10.52192,10094
5'-Methylthioadenosine5'-MethylthioadenosineME545802--7.42298,09683
5-Phenylvaleric acid5-Phenylvaleric acidME545803--11.53179,10662
6-Dimethylaminopurine6-DimethylaminopurineME545804--1.24164,09196
6-Methyladenine6-MethyladenineME545805--4.65150,07811
7-Methylguanine7-MethylguanineME545806--4.13166,07284
9-Methyluric acid9-Methyluric acidME545807--9.31183,05395
Acetic acidAcetic acidME545808--0.3461,02937
AcetoneAcetoneME545809--21.4659,04994
AdenineAdenineME545810--3.12136,06046
Adenosine monophosphateAMPME545811--3.14348,06982
ADPADPME545812--5.79428,03576
All-trans-retinoic acidRetinoic acidME545813--14.05301,21154
Alpha-Aspartyl-lysineAsp-LysME545814--13.06262,14377
AnilineAnilineME545815--16.594,06526
Asymmetric dimethylarginineDimethylarginineME545816--1.41203,15009
AtenololAtenololME545817--8.42267,17033
Benzenebutanoic acid-ME545818--9.55165,08657
Benzoic acidBenzoic acidME545819--13.05123,04271
ButanoneButanoneME545820--0.8273,06514
Cinnamic acidtrans-Cinnamic acidME545821--7.18149,05962
Cis-Aconitic acidcis-Aconitic acidME545822--1.95175,01887
CiticolineCDP-cholineME545823--1.38489,11593
CreatineCreatineME545824--1.29132,07691
Cyclic AMP3',5' cyclic AMPME545825--5.74330,05896
CytidineCytidineME545826--2.47244,09275
Cytidine monophosphateCMPME545827--1.34324,05978
CytosineCytosineME545828--1.76112,05049
D-AlanineD-AlanineME545829--1.3190,0559
Dehydroascorbic acidL-Dehydroascorbic acidME545830--0.84175,02725
DeoxyguanosineDeoxyguanosineME545831--6.96268,10347
DextromethorphanDextromethorphanME545832--12.99272,20111
D-Glucurono-6,3-lactoneGlucuronolactoneME545833--2.14177,03453
DiethanolamineDiethanolamineME545834--2.21106,08631
DL-2-aminooctanoic acid2-Aminocaprylic acidME545835--1.7160,13324
Elaidic acidElaidic acidME545836--18.27283,26419
Flavin mononucleotideFMNME545837--7.83457,1139
FlavoneFlavoneME545838--16.24223,07723
GlutathioneGlutathioneME545839--2.74308,09093
Glycerophosphocholinesn-Glycero-3-phosphocholineME545840--1.23258,11049
GuaifenesinGuaifenesinME545841--9.9199,09273
GuanidineAgmatineME545842--0.8560,05282
GuanineGuanineME545843--6.98152,05635
GuanosineGuanosineME545844--6.99284,09873
Guanosine monophosphateGMPME545845--3.54364,06485
HomocitrullineHomocitrullineME545846--8.52190,12336
Hyodeoxycholic acidHyodeoxycholic acidME545847--20.39393,29499
HypoxanthineHypoxanthineME545848--6.99137,04539
IbuprofenIbuprofenME545849--20.62207,1353
IndoleIndoleME545850--14.57118,0626
Indoleacrylic acidIndoleacrylic acidME545851--7.58188,07067
InosineInosineME545852--7269,08772
Isobutyric acidIsobutyric acidME545853--5.7789,05893
Isoferulic acidIsoferulic acidME545854--9.11195,06314
IsovalerylcarnitineCAR 4:0;3MeME545855--11.14246,16664
L-AcetylcarnitineCAR 2:0ME545856--2.28204,12307
L-ArginineArginineME545857--1.05175,11925
L-Aspartic acidAspartic acidME545858--2.44134,04465
L-CarnitineCarnitineME545859--1.2162,1127
L-DopaDOPAME545860--7.28198,07574
L-Glutamic acidGlutamic acidME545861--1.21148,06061
Linoleic acidLinoleic acidME545862--18.69281,24745
L-Malic acidMalic acidME545863--6.99135,02949
L-NorleucineNorleucineME545864--4.35132,10137
L-PhenylalaninePhenylalanineME545865--7.17166,08621
L-ProlineProlineME545866--1.32116,07063
L-TryptophanTryptophanME545867--7.58205,09672
m-Coumaric acidtrans-m-Coumaric acidME545868--4.62165,05234
MedroxyprogesteroneMedroxyprogesteroneME545869--7.33173,12319
MelatoninMelatoninME545870--7.8233,12852
MetoprololMetoprololME545871--7.97268,19051
N-Acetylglutamic acidN-Acetylglutamic acidME545872--4212,0521
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME545873--2.44198,03763
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME545874--7.28208,10031
N-Acetylneuraminic acidN-Acetylneuraminic acidME545875--12.43310,10949
N-AcetylputrescineN-AcetylputrescineME545876--1.26131,11809
NiacinamideNiacinamideME545877--3.16123,05473
Nicotinamide ribotideNicotinamide ribotideME545878--1.74335,06432
N-Methyl-a-aminoisobutyric acidN-Methyl-alpha-aminoisobutyric acidME545879--1.61118,08625
N-Methyl-D-aspartic acidN-Methyl-D-aspartic acidME545880--1.18170,04264
NorepinephrineNorepinephrineME545881--3.96170,08057
NormetanephrineNormetanephrineME545882--7.3184,09626
Nutriacholic acid7-Ketolithocholic acidME545883--16.55391,28826
o-Tyrosineo-TyrosineME545884--4.62182,08043
OxypurinolOxypurinolME545885--4.5153,04044
Pantothenic acidPantothenic acidME545886--7.3220,1176
PC(16:0/16:0)PC 16:0/16:0ME545887--12.99734,57396
PC(18:1(9Z)/18:1(9Z))PC 18:1(9Z)/18:1(9Z)ME545888--18.08786,59801
Perillic acidPerillic acidME545889--9.62167,10662
PhenylacetaldehydePhenylacetaldehydeME545890--12.86121,06528
PhenylpropanolaminePhenylpropanolamineME545891--8.45152,10621
Phosphoric acidPhosphoric acidME545892--1.1898,98442
Picolinic acidPicolinic acidME545893--1.76124,03928
PregnenolonePregnenoloneME545894--18.08317,24375
PropanalPropanalME545895--0.8159,04942
Protocatechuic acidProtocatechuic acidME545896--1.84177,01952
PyridinePyridineME545897--3.1680,04931
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME545898--2.81248,03475
Pyroglutamic acidPyroglutamic acidME545899--6.92130,04952
Quinaldic acidQuinaldic acidME545900--6.61174,0547
SalbutamolSalbutamolME545901--7.46240,15607
SphinganineSphinganineME545902--12.91302,30635
SphingosineSphingosineME545903--12.61282,2824
Succinic acidSuccinic acidME545904--2.42119,03507
Tetracosanoic acidLignoceric acidME545905--17.88369,37319
Threonic acidThreonic acidME545906--7.06137,0447
TolnaftateTolnaftateME545907--8.62308,11513
Trans-Aconitic acidtrans-Aconitic acidME545908--22.06175,02207
Traumatic acidTraumatic acidME545909--9.29229,1423
TrimethylamineTrimethylamineME545910--1.0760,081
TryptamineTryptamineME545911--16.03161,10784
UmbelliferoneUmbelliferoneME545912--11.57163,03476
UracilUracilME545913--5.34113,034
Ureidosuccinic acidN-Carbamoylaspartic acidME545914--13.31177,05518
UridineUridineME545915--5.34245,07608
Uridine 5'-monophosphateUMPME545916--2.22325,04371
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME545917--1.82608,09215
Urocanic acidUrocanic acidME545918--2.64139,04934


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