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


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


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