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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
0-acetyl-Lserine-ME761147--4.73106
1C-1N-glycine-ME761278--8.5131.5
1C-4H-arginine-ME761287--14.3260
1-methyladenosine-ME761191---150
1-methyl-histidimine-ME761158--6.1124
2-aminooctanoic acid-ME761152---55.3
2H-citrulline-ME761288--8.68161
2H-ornithine-ME761282--12.6872
3H-aspartate-ME761283--8.5776
3H-glutamate-ME761284--8.1587.1
3H-leucine-ME761281--5.0189
3H-methionine-ME761285--5.51136
3-methyl-l-histidine1-ME761243----
3-methyl-l-histidine2-ME761244----
3-methyl-l-histidine3-ME761245----
3-phospho-sersine-ME761166--10.1788
4-aminobutyrate-ME761116--8.2869
4_CL_phen_ala_1-ME761239----
4_CL_phen_ala_2-ME761240----
4H-alanine-ME761279--7.848.2
5-methoxytryptophan-ME761178--5.02176
5-METHYL-THF-ME761216---313.1
6C-phenylalanine-ME761286--4.6109
6C-tyrosine-ME761289--6.6683
7_8-dihydrofolate-ME761215---178
7-methylguanosine-ME761195--6.71166
8H-valine-ME761280--6.0362.2
acadesine-ME761184---110
acetoacetyl-CoA_pos-ME761228---345
acetylcarnitine-ME761172--4.8285
acetyl-CoA_pos-ME761226--7.21303
acetyl lysine-ME761168---84
adenine-ME761140--3.89119
adenosine-ME761190--4.03136.1
agmatine_1-ME761236----
alanine-ME761113--7.844.2
aminoadipate_1-ME761293----
aminoadipate_2-ME761294----
aminoimidazole carboxamide ribonucltide-ME761203---11
aminoisobutanoate1-ME761249----
aminoisobutanoate2-ME761250----
AMP-ME761206--7.81136
arginine-ME761160--14.3260
ascorbate1-ME761254----
ascorbate2-ME761255----
asparagine-ME761138--8.1874
aspartate-ME761139--8.5774
betaine-ME761123--5.0158
betaine aldehydeBetaine aldehydeME761114---58
biotin-ME761181--4227
carnitine-ME761153--6.58103
carnosine1-ME761246----
carnosine2-ME761247----
carnosine3-ME761248----
choline-ME761115--11.1760
citrulline-ME761161--8.68159
CMP-ME761199--9.39112
coenzyme A_pos-ME761224--8.15261
creatine-ME761129--7.6590
creatinine-ME761120--4.3544.2
cystathionine-ME761177--9.74134
cysteine-ME761128--9.0659.1
cystine-ME761179--8.7774
cytidine-ME761180--5.98112
cytosine-ME761119--5.4195
dAMP-ME761201--6.93136
dCMP-ME761196--8.49112
dcSAM-ME761235----
deoxycytidine-ME761259----
deoxyguanosine-ME761189--5.38152
dephospho-CoA_POS-ME761221---348
dexyadenosine-ME761182--3.41136
D-glucosamine-1-phosphate-ME761186---162.1
D-glucosamine-6-phosphate-ME761185--9.99126
dGMP-ME761205--9.21135
diaminopimelate2-ME761260----
diethanolamine1-ME761241----
diethanolamine2-ME761242----
dihydrouracil_1-ME761267----
diiodothyronine-ME761217---352.8
dimethylglycine-ME761117--5.758
DL-pipecolic acid-ME761133--5.9484
dTMP-ME761198---81
ethanolamine-1EthanolamineME761110--12.2744.2
ethanolamine-2EthanolamineME761290----
ethanolamine-3-ME761291----
ethanolamine-4-ME761292----
FAD-ME761225--5.99348
flavone-ME761176---121
folate-ME761214--10.54295
formamide-ME761269----
formtl_methionine-ME761237----
formtl_methionine1-ME761238----
gamma_aminobutyrat-ME761273----
glucosamine-ME761163--7.53162
glucuronate1-ME761264----
glutamate-ME761148--8.1584.1
glutamine-ME761146--8.0184.1
glutathine-ME761197--8.11163
glutathione disulfide_pos-ME761218--10.66231
glycerol-ME761265----
glycerophosphocholine-ME761183---104
glycine-ME761112--8.5130.5
GMP-ME761209---152
guanidinoacetate1-ME761252----
guanidinoacetate2-ME761253----
guanine-ME761150--6.03110
guanosine-ME761192--6.63135
gulose1-ME761251----
histidine-ME761151--7.66110.1
histidinol-ME761144--11.1295
homocysteine-ME761142--8.9790.1
homoserine-ME761126--8.0644.2
hydroxyproline-ME761135--7.6568.2
imidazole-ME761111--3.242.24
IMIDAZOLECETIC ACID-ME761131--5.6381
IMP-ME761207----
indole-ME761122---91
isoleucine1-ME761274----
isoleucine2-ME761275----
kynurenine-ME761174--5.2146
L-arginino-succinate-ME761193---70
leucine1-ME761276----
leucine2-ME761277----
leucine-isoleucineLeucine/IsoleucineME761136--5.0186
lysine-ME761145--13.8267
maleimide2-ME761262----
malonate-ME761270----
malonyl-CoA_pos-ME761229---347
methionine-ME761149--5.51133
Methionine-sulfone-ME761295--5.156
methionine sulfoxde-ME761154--6.7174
methylcysteine-ME761141--5.44119.02
methylnicotinamideMethyl nicotinamideME761143--13.6194
N6-acetyl-L-lysine-ME761167--7.8484.2
N-acetyl-glucosamine-ME761175--4.8138
N-acetyl-glutamate-ME761170--8.0784.1
N-acetyl-glutamine-ME761169--4.96130
N-acetyl-ornithine-ME761159--8.33115.1
N-Acetylputrescine-ME761134--11.2114
NADH-ME761220--7.14514
NADPH-ME761223--10.26729
NAD+_POS-ME761219--7.7428
NADP+_pos-ME761222--10.26136
N-CARBAMOYL-L-ASPARTATE-ME761162---74
Ng_Ng-dimethyl-Larginine-ME761171--11.8770
NICOTINAMIDE-ME761130--2.7680
Nicotinamide ribotide-ME761202---123
noradrenaline-ME761261----
ornithine-ME761137--12.6870
paraxanthine-ME761263----
phenylalanine-ME761155--4.6103
phosphorylcholine-ME761165--8.19125
proline-ME761121--6.3670.1
propionyl-CoA_pos-ME761227---317.1
purine-ME761127--3.294
putrescine-ME761231---72
pyrazole1-ME761257----
pyrazole2-ME761258----
pyridoxamine-ME761156---134
pyridoxine-ME761157--3.2134
quinate_1-ME761272----
quinate-1-ME761256----
quinate-2-ME761271----
riboflavin-ME761211--3.25243
S-adenosyl-L-homoCysteine_pos-ME761212--7136
S-adenosyl-L-methioninamine-ME761208---250
S-adenosyl-L-methionine-ME761213--9.03250
sarcosine-ME761234--7.2144.1
serine-ME761118--8.5860
Smethyl-5-thioadenosine-ME761194--2.55136
spermidine-ME761232---72
spermine-ME761233---112.1
S-ribosyl-L-homocysteine_pos-ME761188---88
succinate semialdehyd-ME761268----
succinyl-CoA_pos-ME761230---361
thiamine-ME761187--11.28122
thiamine-phosphate-ME761204--7.51122
thiourea-ME761266----
threonine-ME761125--7.4374
thymine-ME761132--2.86110
tryptophan-ME761173--5.5885
tyrosine-ME761164--6.6677
UMP-ME761200--8.8297
urea-ME761109--5.144.2
valine-ME761124--6.0358
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
1_3-diphopshateglycerate-ME761384---79
2_3-dihydroxybenzoic acid-ME761331--3.53109
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-hydroxygluterate-ME761457--8.94128.7
2-Isopropylmalic acid-ME761350--5.94115
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-hydroxy-3-methylglutaryl-CoA_neg-ME761455--9.15408
3-hydroxybutyryl-CoA-ME761453---408
3-methylphenylacetic acid-ME761328--1.9105
3-phosphoglycerate-ME761358--12.0297
3-S-methylthiopropionate-ME761309---47
4-Pyridoxic acid-ME761357--2.2138
5-phosphoribosyl-1-pyrophosphate-ME761407---291
6-phospho-D-gluconate-ME761388--11.3597
6-phospho-D-glucono-1_5-lactone-ME761379---97
acetoacetyl-CoA_neg-ME761451---766.1
acetyl-CoA_pos-ME761448--7.21408
acetylphosphate-ME761322---79
aconitate-ME761347--11.1285
adenosine 5-phosphosulfate-ME761416---346
ADP-D-glucose-ME761437--8.74346
ADP_negADPME761417--10.34159
a-ketoglutarate-ME761324--9.28101
allantoate-ME761348---132
allantoin-ME761334--7.06114
Aminoadipic acid-ME761335--8.39116
anthranilate/p-aminobenzoate-ME761320--5.1592
Ascorbic acid-ME761349--7.7387
ATP_neg-ME761432--11.56159
Atrolactic acid-ME761338---119
butyryl-CoA-ME761450---408
Carbamoyl phosphate-ME761323---79
CDP-cholineCDP-cholineME761429---428
CDP-ethanolamine-ME761421--9.49273
CDP_neg-ME761411--10.82384
Cellobiose-ME761401--8.61263.1
cholesteryl sulfate-ME761423---97
Cholic acid-ME761413---345.2
Citraconic acid-ME761313--4.4585.1
citrate-ME761363---87
citrate-isocitrate-ME761361--11.45111
coenzyme A_neg-ME761447--8.15408
CTP_neg-ME761427---384
cyclic-AMP-ME761397--4.55134.05
cyclic bis(3->5) dimeric GMP-ME761444--10.78344
dATP_neg-ME761430--11.17159
dCDP_neg-ME761406--10.74159
dCTP_neg-ME761424---159
Deoxycholic acid-ME761408--2.02345.2
deoxyinosine-ME761377--4.54135
deoxyribose-phosphateDeoxyribose 5-phosphateME761370--8.3779
deoxyuridine-ME761373--3.21184
dephospho-CoA_neg-ME761443---339
D-erythrose-4-phosphate-ME761366---97
dGDP_neg-ME761418---159
D-glucarate-ME761369---85
D-gluconate-ME761365--7.66129
D-glyceraldehdye-3-phosphate-ME761344--9.697
dGTP-ME761433--11.77159
dihydroorotate-ME761333--5.31113
dihydroxy-acetone-phosphate-ME761343--8.9879
D-sedoheptulose-1-7-phosphate-ME761390--9.8197
dTDP_neg-ME761410---159
dTMP_neg-ME761396---195
dTTP_neg-ME761426---159
dUMP_neg-ME761393--7.6195
dUTP_neg-ME761425--11.36159
FMN-ME761422---213
fructose-1_6-bisphosphate-ME761398---97
fructose-6-phosphate-ME761383--9.7169
fumarate-ME761303--9.771
galactitol-ME761467----
GDP_neg-ME761420--12.06159
Geranyl-PP-ME761394---79
glucono-D-lactone-ME761353--5.04129
glucose-ME761469----
glucose-1-phosphate-ME761381--9.6241
glucose-6-phosphate-ME761382--10.25199
glutathione disulfide_neg-ME761440--10.66306
glutathione_neg-ME761392--8.11143
glyceraldehyde-ME761465----
glyceraldehyde(1)-ME761466----
glycerate-ME761301--5.9675
glycolate-ME761297--2.745.2
glyoxylate-ME761296--4.1645
GTP_neg-ME761434--13.46424
Guanidoacetic acid-ME761306--8.6374.3
guanosine 5-diphosphate_3-diphosphate-ME761438---504
hexose-phosphate-ME761380---79
homocysteic acid-ME761356--9.680
Hydroxyisocaproic acidHydroxyisocaproic acidME761317--1.9785.1
Hydroxyphenylacetic acid-ME761330--2.52107
hydroxyphenylpyruvate-ME761355--3.27107
hypoxanthine-ME761319--4.992
IDP_neg-ME761419--11.56159
Indole-3-carboxylic acid-ME761336---116
Indoleacrylic acid-ME761359--2.95142.03
inosine-ME761387--5.15135
isocitrate-ME761362---117
itaconic acid-ME761470----
Kynurenic acid-ME761360--5.01144
lactate-ME761299--3.943.2
lipoate-ME761368--2.15171
malateMalic acidME761318--9.8115
Maleic acid-ME761304--4.5271.03
malonyl-CoA_neg-ME761452---808.2
Methylmalonic acid-ME761308--8.173.1
myo-inositol-ME761354--9.39161
N-acetyl-glucosamine-1-phosphate-ME761391---79
N-Acetyl-L-alanine-ME761315--3.3488
n-acetylneuraminate-ME761459----
n-acetylneuraminate(1)-ME761460----
NADH_neg-ME761442--7.14408
NAD+_neg-ME761441--7.7540
NADPH_neg-ME761446--10.62408
NADP+_neg-ME761445--10.64620
N-carbamoyl-L-aspartate_neg-ME761351--10.08132
nicotinate-ME761310--3.378
octulose-1_8-bisphosphate-ME761409---97
octulose-monophosphate-ME761395---97
orotate-ME761332--5.02111
orotidine-5-phosphate-ME761402---323
oxaloacetate-ME761316---87
pantothenate-ME761371--3.5146
Phenyllactic acid-ME761339---103.1
Phenylpropiolic acid-ME761325--2.34101
phenylpyruvate-ME761337--1.8791
phosphoenolpyruvate-ME761341--11.1479
p-hydroxybenzoate-ME761321--5.3793
prephenate-ME761372---91
propionyl-CoA_neg-ME761449---408
Pyroglutamic acid-ME761312--4.882.1
Pyrophosphate-ME761352---158.6
pyruvate-ME761298--3.6643
quinolinate-ME761340--8.87122
ribose-phosphate-ME761374--9.4679
S-adenosyl-L-homocysteine_neg-ME761405--7134
Sedoheptulose 1_7-bisphosphate-ME761403---97
shikimate-ME761346--7.6993
shikimate-3-phosphate-ME761378---97
sn-glycerol-3-phosphate-ME761345--8.3679
S-ribosyl-L-homocysteine_neg-ME761386---134
succinate-ME761307--9.0673
succinyl-CoA-methylmalonyl-CoA_neg-ME761454---822
sucrose-ME761399--8.09179
tartrate-ME761461----
tartrate(1)-ME761462----
taurine-ME761311--7.8880
Taurodeoxycholic acid-ME761431---124
Thiamine pyrophosphate-ME761415--8.33302
thymidine-ME761375--2.83125
trans_ trans-farnesyl diphosphate-ME761404---79
trehalose-ME761400--8.83179
trehalose-6-Phosphate-ME761414---79
UDP-D-glucose-ME761435--9.87323
UDP-D-glucuronate-ME761436---403
UDP-N-acetyl-glucosamine-ME761439--8.95385
UDP_neg-ME761412--10.24159
uracil-ME761302--4.0342.1
Uric acid-ME761342--6.82124
uridine-ME761376--4.66200
UTP_neg-ME761428--12.6159
xanthine-ME761329--5.8108
xanthosine-ME761389--6.28151
Xanthurenic acid-ME761367--5.5160


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