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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
carnitine-ME761153--6.58103
phenylalanine-ME761155--4.6103
glycerophosphocholine-ME761183---104
0-acetyl-Lserine-ME761147--4.73106
6C-phenylalanine-ME761286--4.6109
aminoimidazole carboxamide ribonucltide-ME761203---11
acadesine-ME761184---110
guanine-ME761150--6.03110
thymine-ME761132--2.86110
histidine-ME761151--7.66110.1
CMP-ME761199--9.39112
cytidine-ME761180--5.98112
dCMPdCMPME761196--8.49112
spermine-ME761233---112.1
N-AcetylputrescineN-AcetylputrescineME761134--11.2114
N-acetyl-ornithine-ME761159--8.33115.1
adenine-ME761140--3.89119
methylcysteine-ME761141--5.44119.02
flavone-ME761176---121
thiamine-ME761187--11.28122
thiamine-phosphate-ME761204--7.51122
Nicotinamide ribotideNicotinamide ribotideME761202---123
1-methyl-histidimine-ME761158--6.1124
phosphorylcholine-ME761165--8.19125
D-glucosamine-6-phosphate-ME761185--9.99126
N-acetyl-glutamine-ME761169--4.96130
methionine-ME761149--5.51133
cystathionine-ME761177--9.74134
pyridoxamine-ME761156---134
pyridoxine-ME761157--3.2134
dGMP-ME761205--9.21135
guanosine-ME761192--6.63135
3H-methionine-ME761285--5.51136
AMP-ME761206--7.81136
dAMP-ME761201--6.93136
dexyadenosine-ME761182--3.41136
NADP+_pos-ME761222--10.26136
S-adenosyl-L-homoCysteine_pos-ME761212--7136
Smethyl-5-thioadenosine-ME761194--2.55136
adenosine-ME761190--4.03136.1
N-acetyl-glucosamine-ME761175--4.8138
kynurenine-ME761174--5.2146
1-methyladenosine-ME761191---150
deoxyguanosine-ME761189--5.38152
GMP-ME761209---152
citrulline-ME761161--8.68159
2H-citrulline-ME761288--8.68161
glucosamine-ME761163--7.53162
D-glucosamine-1-phosphate-ME761186---162.1
glutathine-ME761197--8.11163
7-methylguanosine-ME761195--6.71166
5-methoxytryptophan-ME761178--5.02176
7_8-dihydrofolate-ME761215---178
biotin-ME761181--4227
glutathione disulfide_pos-ME761218--10.66231
riboflavin-ME761211--3.25243
S-adenosyl-L-methioninamine-ME761208---250
S-adenosyl-L-methionine-ME761213--9.03250
coenzyme A_pos-ME761224--8.15261
folate-ME761214--10.54295
acetyl-CoA_pos-ME761226--7.21303
glycine-ME761112--8.5130.5
5-METHYL-THF-ME761216---313.1
1C-1N-glycine-ME761278--8.5131.5
propionyl-CoA_pos-ME761227---317.1
acetoacetyl-CoA_pos-ME761228---345
malonyl-CoA_pos-ME761229---347
dephospho-CoA_POS-ME761221---348
FADFADME761225--5.99348
diiodothyronine-ME761217---352.8
succinyl-CoA_pos-ME761230---361
imidazole-ME761111--3.242.24
NAD+_POS-ME761219--7.7428
sarcosine-ME761234--7.2144.1
alanine-ME761113--7.844.2
creatinine-ME761120--4.3544.2
ethanolamine-1EthanolamineME761110--12.2744.2
homoserine-ME761126--8.0644.2
urea-ME761109--5.144.2
4H-alanine-ME761279--7.848.2
NADHNADHME761220--7.14514
2-aminooctanoic acid-ME761152---55.3
Methionine-sulfone-ME761295--5.156
betaine-ME761123--5.0158
betaine aldehydeBetaine aldehydeME761114---58
dimethylglycine-ME761117--5.758
valine-ME761124--6.0358
cysteine-ME761128--9.0659.1
1C-4H-arginine-ME761287--14.3260
arginine-ME761160--14.3260
choline-ME761115--11.1760
serine-ME761118--8.5860
8H-valine-ME761280--6.0362.2
lysine-ME761145--13.8267
hydroxyproline-ME761135--7.6568.2
4-aminobutyrate-ME761116--8.2869
L-arginino-succinate-ME761193---70
Ng_Ng-dimethyl-Larginine-ME761171--11.8770
ornithine-ME761137--12.6870
proline-ME761121--6.3670.1
2H-ornithine-ME761282--12.6872
putrescine-ME761231---72
spermidine-ME761232---72
NADPHNADPHME761223--10.26729
asparagine-ME761138--8.1874
aspartate-ME761139--8.5774
cystine-ME761179--8.7774
methionine sulfoxde-ME761154--6.7174
N-CARBAMOYL-L-ASPARTATE-ME761162---74
threonine-ME761125--7.4374
3H-aspartate-ME761283--8.5776
tyrosine-ME761164--6.6677
NICOTINAMIDE-ME761130--2.7680
dTMP-ME761198---81
IMIDAZOLECETIC ACID-ME761131--5.6381
6C-tyrosine-ME761289--6.6683
acetyl lysine-ME761168---84
DL-pipecolic acid-ME761133--5.9484
glutamate-ME761148--8.1584.1
glutamine-ME761146--8.0184.1
N-acetyl-glutamate-ME761170--8.0784.1
N6-acetyl-L-lysine-ME761167--7.8484.2
acetylcarnitine-ME761172--4.8285
tryptophan-ME761173--5.5885
leucine-isoleucineLeucine/IsoleucineME761136--5.0186
3H-glutamate-ME761284--8.1587.1
3-phospho-sersine-ME761166--10.1788
S-ribosyl-L-homocysteine_pos-ME761188---88
3H-leucine-ME761281--5.0189
creatine-ME761129--7.6590
homocysteine-ME761142--8.9790.1
indole-ME761122---91
methylnicotinamideMethyl nicotinamideME761143--13.6194
purine-ME761127--3.294
cytosine-ME761119--5.4195
histidinol-ME761144--11.1295
UMP-ME761200--8.8297
xanthosine-5-phoshate-ME761210---97
3-methyl-l-histidine1-ME761243----
3-methyl-l-histidine2-ME761244----
3-methyl-l-histidine3-ME761245----
4_CL_phen_ala_1-ME761239----
4_CL_phen_ala_2-ME761240----
agmatine_1-ME761236----
aminoadipate_1-ME761293----
aminoadipate_2-ME761294----
aminoisobutanoate1-ME761249----
aminoisobutanoate2-ME761250----
ascorbate1-ME761254----
ascorbate2-ME761255----
carnosine1-ME761246----
carnosine2-ME761247----
carnosine3-ME761248----
dcSAM-ME761235----
deoxycytidine-ME761259----
diaminopimelate2-ME761260----
diethanolamine1-ME761241----
diethanolamine2-ME761242----
dihydrouracil_1-ME761267----
ethanolamine-2EthanolamineME761290----
ethanolamine-3-ME761291----
ethanolamine-4-ME761292----
formamide-ME761269----
formtl_methionine-ME761237----
formtl_methionine1-ME761238----
gamma_aminobutyrat-ME761273----
glucuronate1-ME761264----
glycerol-ME761265----
guanidinoacetate1-ME761252----
guanidinoacetate2-ME761253----
gulose1GuloseME761251----
IMP-ME761207----
isoleucine1-ME761274----
isoleucine2-ME761275----
leucine1-ME761276----
leucine2-ME761277----
maleimide2-ME761262----
malonate-ME761270----
noradrenaline-ME761261----
paraxanthine-ME761263----
pyrazole1-ME761257----
pyrazole2-ME761258----
quinate_1-ME761272----
quinate-1-ME761256----
quinate-2-ME761271----
succinate semialdehyd-ME761268----
thiourea-ME761266----


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
a-ketoglutarate-ME761324--9.28101
Phenylpropiolic acid-ME761325--2.34101
2-ketohaxanoic acid-ME761314---101.3
2-dehydro-D-gluconate-ME761364---103
Phenyllactic acid-ME761339---103.1
3-methylphenylacetic acid-ME761328--1.9105
Hydroxyphenylacetic acid-ME761330--2.52107
hydroxyphenylpyruvate-ME761355--3.27107
xanthine-ME761329--5.8108
2_3-dihydroxybenzoic acid-ME761331--3.53109
citrate-isocitrate-ME761361--11.45111
orotate-ME761332--5.02111
dihydroorotate-ME761333--5.31113
allantoin-ME761334--7.06114
2-Isopropylmalic acid-ME761350--5.94115
malateMalic acidME761318--9.8115
Aminoadipic acidAminoadipic acidME761335--8.39116
Indole-3-carboxylic acid-ME761336---116
isocitrate-ME761362---117
Atrolactic acid-ME761338---119
quinolinate-ME761340--8.87122
Taurodeoxycholic acid-ME761431---124
Uric acidUric acidME761342--6.82124
thymidine-ME761375--2.83125
2-hydroxygluterate-ME761457--8.94128.7
D-gluconate-ME761365--7.66129
glucono-D-lactone-ME761353--5.04129
allantoate-ME761348---132
N-carbamoyl-L-aspartate_neg-ME761351--10.08132
S-adenosyl-L-homocysteine_neg-ME761405--7134
S-ribosyl-L-homocysteine_neg-ME761386---134
cyclic-AMP-ME761397--4.55134.05
deoxyinosine-ME761377--4.54135
inosine-ME761387--5.15135
4-Pyridoxic acid4-Pyridoxic acidME761357--2.2138
Indoleacrylic acid-ME761359--2.95142.03
glutathione_neg-ME761392--8.11143
Kynurenic acidKynurenic acidME761360--5.01144
pantothenate-ME761371--3.5146
xanthosine-ME761389--6.28151
Pyrophosphate-ME761352---158.6
ADP_negADPME761417--10.34159
ATP_neg-ME761432--11.56159
dATP_neg-ME761430--11.17159
dCDP_neg-ME761406--10.74159
dCTP_neg-ME761424---159
dGDP_neg-ME761418---159
dGTP-ME761433--11.77159
dTDP_neg-ME761410---159
dTTP_neg-ME761426---159
dUTP_neg-ME761425--11.36159
GDP_neg-ME761420--12.06159
IDP_neg-ME761419--11.56159
UDP_neg-ME761412--10.24159
UTP_neg-ME761428--12.6159
Xanthurenic acid-ME761367--5.5160
myo-inositol-ME761354--9.39161
2_3-Diphosphoglyceric acid-ME761385---167.1
fructose-6-phosphate-ME761383--9.7169
lipoate-ME761368--2.15171
sucrose-ME761399--8.09179
trehalose-ME761400--8.83179
deoxyuridine-ME761373--3.21184
dTMP_neg-ME761396---195
dUMP_neg-ME761393--7.6195
glucose-6-phosphate-ME761382--10.25199
uridine-ME761376--4.66200
FMN-ME761422---213
glucose-1-phosphate-ME761381--9.6241
Cellobiose-ME761401--8.61263.1
CDP-ethanolamine-ME761421--9.49273
5-phosphoribosyl-1-pyrophosphate-ME761407---291
Thiamine pyrophosphate-ME761415--8.33302
glutathione disulfide_neg-ME761440--10.66306
orotidine-5-phosphate-ME761402---323
UDP-D-glucose-ME761435--9.87323
dephospho-CoA_neg-ME761443---339
cyclic bis(3->5) dimeric GMP-ME761444--10.78344
Cholic acid-ME761413---345.2
Deoxycholic acid-ME761408--2.02345.2
adenosine 5-phosphosulfate-ME761416---346
ADP-D-glucose-ME761437--8.74346
CDP_neg-ME761411--10.82384
CTP_neg-ME761427---384
UDP-N-acetyl-glucosamine-ME761439--8.95385
UDP-D-glucuronate-ME761436---403
3-hydroxy-3-methylglutaryl-CoA_neg-ME761455--9.15408
3-hydroxybutyryl-CoA-ME761453---408
acetyl-CoA_pos-ME761448--7.21408
butyryl-CoA-ME761450---408
coenzyme A_neg-ME761447--8.15408
NADH_neg-ME761442--7.14408
NADPH_neg-ME761446--10.62408
propionyl-CoA_neg-ME761449---408
uracil-ME761302--4.0342.1
GTP_neg-ME761434--13.46424
CDP-cholineCDP-cholineME761429---428
pyruvate-ME761298--3.6643
lactate-ME761299--3.943.2
glyoxylate-ME761296--4.1645
glycolate-ME761297--2.745.2
3-S-methylthiopropionate-ME761309---47
guanosine 5-diphosphate_3-diphosphate-ME761438---504
NAD+_neg-ME761441--7.7540
2-oxobutanoate/acetoacetate-ME761300---57.2
NADP+_neg-ME761445--10.64620
fumarate-ME761303--9.771
Maleic acid-ME761304--4.5271.03
2-keto-isovalerate-ME761305---71.05
succinate-ME761307--9.0673
Methylmalonic acid-ME761308--8.173.1
Guanidoacetic acidGuanidoacetic acidME761306--8.6374.3
glycerate-ME761301--5.9675
acetoacetyl-CoA_neg-ME761451---766.1
nicotinate-ME761310--3.378
1_3-diphopshateglycerate-ME761384---79
acetylphosphate-ME761322---79
Carbamoyl phosphate-ME761323---79
deoxyribose-phosphateDeoxyribose 5-phosphateME761370--8.3779
dihydroxy-acetone-phosphate-ME761343--8.9879
Geranyl-PP-ME761394---79
hexose-phosphate-ME761380---79
N-acetyl-glucosamine-1-phosphate-ME761391---79
phosphoenolpyruvate-ME761341--11.1479
ribose-phosphate-ME761374--9.4679
sn-glycerol-3-phosphate-ME761345--8.3679
trans_ trans-farnesyl diphosphate-ME761404---79
trehalose-6-Phosphate-ME761414---79
homocysteic acid-ME761356--9.680
taurine-ME761311--7.8880
malonyl-CoA_neg-ME761452---808.2
Pyroglutamic acidPyroglutamic acidME761312--4.882.1
succinyl-CoA-methylmalonyl-CoA_neg-ME761454---822
aconitate-ME761347--11.1285
D-glucarate-ME761369---85
2-Hydroxy-2-methylbutanedioic acid-ME761327---85.1
Citraconic acid-ME761313--4.4585.1
Hydroxyisocaproic acidHydroxyisocaproic acidME761317--1.9785.1
Ascorbic acid-ME761349--7.7387
citrate-ME761363---87
oxaloacetate-ME761316---87
N-Acetyl-L-alanineN-AcetylalanineME761315--3.3488
phenylpyruvate-ME761337--1.8791
prephenate-ME761372---91
anthranilate/p-aminobenzoate-ME761320--5.1592
hypoxanthine-ME761319--4.992
p-hydroxybenzoate-ME761321--5.3793
shikimate-ME761346--7.6993
3-phosphoglycerate-ME761358--12.0297
6-phospho-D-gluconate-ME761388--11.3597
6-phospho-D-glucono-1_5-lactone-ME761379---97
cholesteryl sulfate-ME761423---97
D-erythrose-4-phosphate-ME761366---97
D-glyceraldehdye-3-phosphate-ME761344--9.697
D-sedoheptulose-1-7-phosphate-ME761390--9.8197
fructose-1_6-bisphosphateFructose 1,6-bisphosphateME761398---97
octulose-1_8-bisphosphate-ME761409---97
octulose-monophosphate-ME761395---97
Sedoheptulose 1_7-bisphosphate-ME761403---97
shikimate-3-phosphate-ME761378---97
2-deoxyglucose-6-phosphate-ME761456---97.1
2-oxo-4-methylthiobutanoate-ME761326---99
2-phosphoglycerate-ME761458----
2-phosphoglycerate_3-ME761468----
3-dehydroshikimate-ME761463----
3-dehydroshikimate(1)-ME761464----
galactitol-ME761467----
glucose-ME761469----
glyceraldehyde-ME761465----
glyceraldehyde(1)-ME761466----
itaconic acid-ME761470----
n-acetylneuraminate-ME761459----
n-acetylneuraminate(1)-ME761460----
tartrate-ME761461----
tartrate(1)-ME761462----


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