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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
1-(1z-hexadecenyl)-sn-glycero-3-phosphocholineLPC P-16:0 or LPC O-16:1ME585126----
1,2-dipentadecanoyl-sn-glycero-3-phosphoethanolami...-ME585086----
12-ketodeoxycholic acid12-Ketolithocholic acidME585118----
1,5-naphthyridine, 2-[3-(6-methyl-2-pyridinyl)-1h-...-ME585073----
17-trifluoromethylphenyltrinorprostaglandin f2.alp...-ME585060----
17-trifluoromethylphenyltrinorprostaglandin f2.alp...-ME585058----
18.beta.-glycyrrhetinic acid-ME585129----
1-octadecyl lysophosphatidic acid-ME585124----
1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholineLPC 18:0/0:0ME585090----
2-(2-butoxyethoxy)acetic acid-ME585070----
2,3-dinor-8-isoprostaglandin-f2.alpha.2,3-Dinor-8-iso-PGF2alphaME585066----
2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-...-ME585091----
2-aminobenzamide-ME585088----
2-dimethylamino-6-hydroxypurine-ME585065----
2-mohma [dmed-fahfa]-ME585093----
2-mohpda [dmed-fahfa]-ME585121----
2-piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-d...-ME585068----
3-ethylphenol-ME585122----
4.alpha.-hydroxystanozolol-ME585087----
4-cholestenoneCholestenoneME585074----
4-nitrosodiphenylamine-ME585115----
(4r)-4-((5s,7r,9s,10s,13r,14s,17r)-7-hydroxy-10,13...-ME585106----
7,8-didehydroastaxanthin7,8-DidehydroastaxanthinME585094----
8,11-tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)...-ME585111----
.alpha.-linolenoyl ethanolamidealpha-Linolenoyl-EAME585067----
Arcaine-ME585095----
Asp-ArgAsp-ArgME585101----
BenzamideBenzamideME585092----
BetaineBetaineME585052----
Betaine aldehydeBetaine aldehydeME585108----
Beta-octylglucosidebeta-OctylglucosideME585103----
BiliverdinBiliverdinME585116----
C17-sphinganineC17 SphinganineME585050----
Carbofuran phenol-3-ketone-ME585077----
ClorgylineClorgylineME585078----
Coclaurine-ME585127----
CreatinineCreatinineME585096----
CyclohexylamineCyclohexylamineME585089----
Cys-Trp-ArgCys-Trp-ArgME585081----
CytidineCytidineME585105----
DaidzeinDaidzeinME585117----
Decahydrogambogic acid-ME585114----
DibucaineDibucaineME585057----
Ethyl 3-hydroxybutyrate-ME585053----
Fenpropidin-ME585063----
Glu-HisGlu-HisME585131----
Glycerophosphocholinesn-Glycero-3-phosphocholineME585082----
Guaiacol methyl ether-ME585079----
HarmaneHarmanME585110----
Hc toxinHC toxinME585059----
HypoxanthineHypoxanthineME585080----
IndoleIndoleME585119----
Isobutyric acidIsobutyric acidME585056----
LappaconitineLappaconitineME585084----
L-ArginineArginineME585112----
Lavandulol-ME585120----
LinoleoylcarnitineCAR 18:2ME585098----
Linoleoyl ethanolamideLinoleoyl-EAME585085----
L-palmitoylcarnitineCAR 16:0ME585100----
L-pipecolic acidPipecolic acidME585130----
L-pyroglutamic acidPyroglutamic acidME585128----
MetforminMetforminME585104----
Methyl (1-(cyclohexylmethyl)-1h-indole-3-carbonyl)...-ME585051----
MifepristoneMifepristoneME585061----
Myristoyl-l-carnitineCAR 14:0ME585075----
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-...-ME585055----
N-acetyl-d-lactosamineN-AcetyllactosamineME585125----
N-acetylsphingosineCer 18:1;O2/2:0ME585069----
NicotinateNicotinic acidME585083----
Octaethylene glycolOctaethylene glycolME585062----
Oleoyl-l-carnitineCAR 18:1ME585102----
Palmitoleoyl 3-carbacyclic phosphatidic acid-ME585113----
Palmitoyl 3-carbacyclic phosphatidic acid-ME585072----
Phenylacetyl-l-glutaminealpha-N-PhenylacetylglutamineME585071----
PyridoxalPyridoxalME585099----
Sipeimine-ME585107----
S-methyl-5'-thioadenosine5'-MethylthioadenosineME585097----
SteviolSteviolME585109----
Tetraethylene glycolTetraethylene glycolME585054----
TributyrinTG 4:0/4:0/4:0ME585064----
TrigonellineTrigonellineME585076----
UrobilinL-UrobilinME585123----


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
1,2,3-benzenetriol1,2,3-TrihydroxybenzeneME585175----
1,2-propanediol, 3-(1,3-benzodioxol-5-yl)--ME585163----
1-hexadecyl lysophosphatidic acidLPA O-16:0ME585149----
1h-indole-3-propanoic acid3-Indolepropionic acidME585185----
1-palmitoyl-2-linoleoyl-sn-glycero-3-phospho-(1'-r...-ME585157----
(1r,3r,4s,5r)-1,3,4-trihydroxy-5-[(e)-3-(4-hydroxy...-ME585180----
2-keto-3-deoxyoctonic acid-ME585139----
2-linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethano...PE 16:0/18:2ME585184----
3.beta.,7.alpha.-dihydroxy-5-cholestenoic acid3beta,7alpha-Dihydroxy-5-cholestenoic acidME585202----
3-Hydorxy-3-methylglutaric acid-ME585138----
3-Methoxy-4-Hydroxyphenylglycol Sulfate-ME585136----
4'-demethylpodophyllotoxin-ME585195----
5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-...-ME585174----
5.beta.-androstan-3.alpha.-ol-17-one sulfate5beta-Androstan-3alpha-ol-17-one sulfateME585168----
5'-phosphoribosyl-5-amino-4-imidazolecarboxamide (...AICAR-PME585158----
6,8-dihydroxy-2,2,4,4-tetramethyl-7-(3-methylbutan...-ME585156----
6,8-diprenylnaringenin6,8-DiprenylnaringeninME585167----
Aleuritic acid-ME585173----
AllantoinAllantoinME585140----
.alpha.-keto-.gamma.-(methylthio)butyric acid-ME585162----
Alpha-ketoisovaleric acidKetoisovaleric acidME585200----
.beta.-hydroxypropionic acidHydroxypropionic acidME585192----
BiocytinBiocytinME585161----
Cis-4-hydroxycyclohexanecarboxylic acid-ME585199----
CitrateCitric acidME585169----
CorticosteroneCorticosteroneME585144----
Daidzein 4'-sulfate-ME585159----
DaidzinDaidzinME585152----
D-alloseAlloseME585201----
Demethylbellidifolin-ME585166----
D-fructoseFructoseME585151----
D-fructose 6-phosphateFructose 6-phosphateME585153----
D-glucarateGlucaric acidME585141----
D-gluconateGluconic acidME585150----
D-glucono-1,5-lactoneGluconolactoneME585171----
D-glucose 6-phosphateGlucose 6-phosphateME585133----
Dl-lactate-ME585181----
Dl-malic acidMalic acidME585182----
D-lyxoseLyxoseME585179----
D-psicosePsicoseME585135----
Ethyl sulfate-ME585143----
Fructose 1-phosphateFructose 1-phosphateME585137----
Glutamic acidGlutamic acidME585154----
GlycerolGlycerolME585190----
Glycocholic acidGlycocholic acidME585194----
Gly-His-LysGly-His-LysME585177----
Hippuric acidHippuric acidME585198----
Homovanillic acid sulfate-ME585186----
Hydroquinidine-ME585170----
Indoxyl sulfateIndoxyl sulfateME585165----
L-gulono-1,4-lactone-ME585148----
Lpe 18:2LPE 18:2ME585178----
MalateMalic acidME585132----
MestranolMestranolME585155----
N-Acetyl-D-Glucosamine 6-PhosphateN-Acetyl-glucosamine 6-phosphateME585145----
N-AcetylmannosamineN-Acetyl-mannosamineME585189----
Nocardamine-ME585164----
OstruthinOstruthinME585147----
Pe(16:1e/15-hete)-ME585176----
PolydatinPiceidME585187----
PristimerinPristimerinME585183----
Propanoic acid, 3-[[[2-[(aminoiminomethyl)amino]-4...-ME585142----
Propionic acidPropionic acidME585172----
PyruvatePyruvic acidME585193----
QuinateQuinic acidME585134----
Silybin-ME585146----
Sinapic acidSinapic acidME585197----
SuccinateSuccinic acidME585196----
TaurocholateTaurocholic acidME585188----
Thymol-beta-d-glucoside-ME585160----
Zinniol-ME585191----


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