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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
SpermidineSpermidineME510884--0.69146.17
2-Aminoimidazole-ME510833--0.7384.06
L-GlutamineGlutamineME510896--0.76147.08
L-LysineLysineME510870--0.76147.2
CholineCholineME510881--0.88105.1
L-ArginineArginineME510869--0.88175.21
AlanineAlanineME510888--0.9190.1
hisHistidineME510849--0.91134.11
L-Carnitine hydrochloride-ME510872--0.91162.1
L-CitrullineCitrullineME510836--0.91176.2
L-GlutamateGlutamic acidME510848--0.91148.06
L-HomoserineHomoserineME510832--0.91120.07
L-ThreonineThreonineME510846--0.91120.13
N-AcetylornithineN-AcetylornithineME510875--0.91175.21
SarcosineSarcosineME510855--0.9190.06
6-Aminocaproic acid6-Aminocaproic acidME510851--0.93132.11
CreatineCreatineME510882--0.93132.08
3-Guanidinopropionic acid?3-Guanidinopropanoic acidME510874--0.94132.14
AcetylcholineAcetylcholineME510834--0.94147.13
L-ProlineProlineME510843--0.94116.14
Aminoadipic acidAminoadipic acidME510894--0.95162.08
Cytidine monophosphateCMPME510861--0.96324.21
BetaineBetaineME510866--0.97118.16
N-AcetylglutamineN-AcetylglutamineME510865--0.97189.19
Guanidineacetic acidGuanidoacetic acidME510841--1.01118.12
L-ValineValineME510850--1.01118.09
NorvalineNorvalineME510895--1.02118.09
SphinganineSphinganineME510877--12.93302.52
Beta-SitosterolSitosterolME510852--13.03415.72
Uridine 5'-monophosphateUMPME510880--1.4325.05
2'-Deoxycytidine 5'-monophosphatedCMPME510879--1.43308.07
CytidineCytidineME510864--1.43244.23
2'-DeoxyuridineDeoxyuridineME510853--1.44229.2
CytosineCytosineME510886--1.44112.05
DeoxycytidineDeoxycytidineME510857--1.44228.23
PyridoxalPyridoxalME510842--1.44168.13
UracilUracilME510889--1.44113.1
AcetylcarnitineCAR 2:0ME510876--1.45204.21
HistamineHistamineME510868--1.45112.09
Isonicotinic acidIsonicotinic acidME510859--1.45124.12
Nicotinic acidNicotinic acidME510838--1.45124.12
L-MethionineMethionineME510844--1.49150.22
HypoxanthineHypoxanthineME510883--1.53137
5-Methylcytidine5-MethylcytidineME510840--1.55258.25
2'-Deoxyguanosine 5'-monophosphatedGMPME510878--1.56348.07
Guanosine 5'-monophosphateGMPME510887--1.59364.07
DopamineDopamineME510858--1.64154.15
5-aminosalicylic acid-ME510873--1.66154.15
NormetanephrineNormetanephrineME510837--1.8184.1
2,4-Diaminobutyric acid2,4-Diaminobutyric acidME510830--1.93119.11
L-OrnithineOrnithineME510897--2.12133.1
Trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME510854--2.29132.14
L-LeucineLeucineME510845--2.33132.18
IsoleucineIsoleucineME510831--2.35132.18
L-NorleucineNorleucineME510835--2.36132.1
ThymineThymineME510871--2.56127.12
AdenosineAdenosineME510863--2.62268.25
2-DeoxyadenosineDeoxyadenosineME510860--2.87252.1
InosineInosineME510885--3.01269.09
2-DeoxyguanosineDeoxyguanosineME510856--3.55268.27
L-PhenylalaninePhenylalanineME510847--4.33166.2
Pyrogallol1,2,3-TrihydroxybenzeneME510893--4.58127.04
TryptophanTryptophanME510890--5.74205.1
N-Acetyl-L-methionineN-AcetylmethionineME510839--6192.26
Syringic acidSyringic acidME510892--7.27199.06
BiotinBiotinME510862--7.32245.32
p-Hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME510891--7.91181.05
Indole-3-acetic acidIndoleacetic acidME510867--9.84176.1


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Phospho-D-glyceric acid2-Phosphoglyceric acidME510905--0.92185
Malic acidMalic acidME510908--1.04133.01
Deoxycholic acidDeoxycholic acidME510903--13.38391.3
L-LactateLactic acidME510902--1.4589.02
Docosahexaenoic acidDocosahexaenoic acidME510913--14.85327.23
CitrateCitric acidME510898--1.55191.11
Isocitric acidIsocitric acidME510899--1.56191.02
N-Acetylglutamic acidN-Acetylglutamic acidME510906--1.72188.05
Succinic acidSuccinic acidME510909--1.95117.02
Methylmalonic acidMethylmalonic acidME510901--1.97117.02
2'-DeoxyinosineDeoxyinosineME510907--3.7251.1
4-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME510912--6.72151.04
p-Hydroxyphenylpropionic acid-ME510911--6.75165.05
2-hydroxy-2-phenylpropanoic acid-ME510910--7.04165.05
P-Coumaric acidcis-p-Coumaric acidME510900--8.1163.04
Azelaic acidAzelaic acidME510904--9.63187.1


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