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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
cholineCholineME478631--3.97104.107
cytosineCytosineME478633--3.46112.0505
uracilUracilME478625--1.31113.0344
betaineBetaineME478636--7.61118.0862
nicotinamideNiacinamideME478623--1.13123.0551
thymineThymineME478624--1.43127.0500
trigonellineTrigonellineME478638--8.15138.0549
guanineGuanineME478634--6.00152.0566
indole-3-acetaldehydeIndoleacetaldehydeME478622--1.00160.0755
carnitineCarnitineME478639--12.78162.1123
pyridoxinePyridoxineME478628--1.61170.0810
4-methoxyphenylacetic acid4-Methoxyphenylacetic acidME478621--0.93184.0966
cytidineCytidineME478635--6.15244.0926
biotinBiotinME478630--3.32245.0952
(5' or 2')-deoxyadenosine-ME478627--1.74252.1087
thiamineThiamineME478637--8.30265.1115
adenosineAdenosineME478629--2.67268.1036
5'-methylthioadenosine5'-MethylthioadenosineME478626--1.51298.0964
glutathioneGlutathioneME478640--15.83308.0905
riboflavinRiboflavinME478632--4.16377.1448
NAD+NADME478641--16.12664.1152


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME478649--2.18110.0249
prolineProlineME478671--10.18114.0562
2-oxovaleric acid-ME478659--4.45115.0402
nicotinic/isonicotinic acid-ME478662--5.67122.0249
2-methylmaleic acidCitraconic acidME478651--2.10129.0194
isoleucineIsoleucineME478670--9.28130.0874
leucine/norleucine-ME478669--8.94130.0874
adenineAdenineME478652--2.35134.0473
hypoxanthineHypoxanthineME478656--2.81135.0313
4-hydroxybenzoic acid4-Hydroxybenzoic acidME478647--1.63137.0244
salicylic acidSalicylic acidME478650--2.17137.0245
glutamic acidGlutamic acidME478677--15.70146.0459
xanthineXanthineME478653--2.39151.026
2-hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME478646--1.11151.0401
mandelic acidMandelic acidME478655--3.02151.0401
N-methyl-glutamic acidN-Methyl-glutamic acidME478674--14.61160.0619
pterinPterinME478658--3.40162.0421
phenylalaninePhenylalanineME478668--8.69164.0717
N-acetyl-leucineN-AcetylleucineME478657--3.22172.0979
shikimic acidShikimic acidME478673--12.78173.046
indole-3-acetic acidIndoleacetic acidME478645--1.03174.0560
formyl-methionyl peptide-ME478660--4.99176.0386
tyrosineTyrosineME478672--11.34180.0665
3-(4-hydroxyphenyl)lactic acidHydroxyphenyllactic acidME478663--5.82181.0507
4-pyridoxic acid4-Pyridoxic acidME478654--2.55182.0458
4-hydroxy-2-quinolinecarboxylic acidKynurenic acidME478667--7.43188.0352
5-hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME478644--0.84190.051
galacturonic acidGalacturonic acidME478676--14.82193.0351
indole-3-pyruvic acidIndolepyruvateME478642--0.85202.051
dethiobiotinDethiobiotinME478648--1.88213.1243
pantothenic acidPantothenic acidME478666--6.86218.1032
N-acetyl-hexosamines-ME478665--6.93220.0825
carnosineCarnosineME478678--16.75225.0991
lumichromeLumichromeME478643--0.89241.0727
n-acetyl-tryptophanN-Acetyl-tryptophanME478664--6.48245.0927
inosineInosineME478661--4.79267.0729
adenosine 5'-monophosphoric acid-ME478675--14.77346.0561


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