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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-methylnicotinamide1-Methyl nicotinamideME381865----
1-methylpyrrolinium1-MethylpyrroliniumME381985----
2-deoxycytidineDeoxycytidineME381953----
2-deoxy-D-ribose2-Deoxy-riboseME381854----
3-HydroxybutyrylcarnitineCAR 4:0;3OHME381962----
3-hydroxyhexadecanoylcarnitineCAR 16:0;3OHME381975----
3-hydroxyhexadecenoylcarnitineCAR 12:1;OHME381974----
3-hydroxy-isovaleryl carnitineCAR 4:0;OH,MeME381965----
3-Hydroxy-N6N6N6-trimethyl-L-lysine-ME381872----
3(S)10(R)-OH-octadeca-6-trans-412-cis-trienoate-ME381884----
3-Ureidoisobutyrate/Glycylsarcosine-ME381903----
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME381860----
5-amino-1-(5-phospho-D-ribosyl)imidazole-ME381868----
5-guanidino-2-oxopentanoic acid-ME381920----
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME381874----
5-Methylthioadenosine5'-MethylthioadenosineME381879----
5-S-glutathionyl-dopamine-ME381893----
acetamidopropanalAcetamidopropanalME381901----
Acetyl adenylateAcetyl adenylateME381887----
acetylcholine/4-(trimethylammonio)butanoate-ME381907----
acetyl-CoAAcetyl-CoAME381942----
adenineAdenineME381954----
adenosineAdenosineME381952----
alpha-linolenyl carnitine/gamma-linolenyl carnitin...CAR 18:3ME381981----
benzoateBenzoic acidME381864----
beta-1-4-mannose-N-acetylglucosamine-ME381889----
bilirubinBilirubinME381899----
BiotinBiotinME381930----
butyryl carnitineCAR 4:0ME381961----
C20H30O(4)-ME381916----
C27H42O4(3)-ME381919----
C27H44O2(5)-ME381917----
C27H44O3(5)-ME381918----
C6H11NO3(4)-ME381904----
C9H13N5O3(4)-ME381873----
C9H8O3(3)-ME381911----
CDPcholineCDP-cholineME381891----
CDP-ethanolamineCDP-EthanolamineME381886----
cholineCholineME381926----
choline phosphateCholine phosphateME381856----
citr_L[e]-ME381862----
CMP-2-aminoethylphosphonateCMPciliatineME381885----
CMP-N-acetyl-beta-neuraminate-ME381895----
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME381890----
Coenzyme ACoenzyme AME381935----
coumarinCoumarinME381869----
creatineCreatineME381852----
creatinineCreatinineME381851----
crotonoyl-CoACrotonoyl-CoAME381944----
CystathionineCystathionineME381951----
cytosineCytosineME381956----
D-Alanyl-D-alanineD-Alanyl-D-AlanineME381861----
decanoyl carnitineCAR 10:0ME381970----
decenoyl carnitineCAR 10:1ME381969----
D-GlucosamineGlucosamineME381863----
Elaidic carnitine/Vaccenyl carnitine-ME381983----
Flavin adenine dinucleotide oxidizedFADME381898----
FolateFolic acidME381934----
gama-glutamylglutathione-ME381892----
gama-L-glutamyl-L-alanine/5-L-Glutamyl-L-alanine-1-ME381910----
glutaryl carnitineCAR DC5:0ME381966----
glutathioneGlutathioneME381877----
glycineGlycineME381986----
glycine betaineBetaineME381937----
Glycylproline/L-Prolinylglycine-ME381909----
GSSGOxidized glutathioneME381894----
GuanineGuanineME381955----
heptadecanoyl carnitineCAR 17:0ME381976----
Hydroxymethylglutaryl-CoAHydroxymethylglutaryl-CoAME381950----
isobutyryl-CoAIsobutyryl-CoAME381945----
isoputreanine/putreanine-ME381908----
Isovaleryl-CoAIsovaleryl-CoAME381946----
L-alanineAlanineME381940----
L-Alanyl-L-leucineAla-LeuME381871----
L-asparagineAsparagineME381925----
lauroyl carnitineCAR 12:0ME381984----
L-cysteineCysteineME381923----
L-cysteinylglycineCys-GlyME381855----
L-glutamineGlutamineME381938----
L-histidineHistidineME381928----
Linoleyl carnitine/Linoelaidyl carnitineCAR 18:2ME381982----
L-kynurenineKynurenineME381913----
L-methionineMethionineME381927----
L-palmitoylcarnitineCAR 16:0ME381973----
L-phenylalaninePhenylalanineME381929----
L-prolineProlineME381941----
L-serineSerineME381922----
L-threonineThreonineME381936----
L-tyrosineTyrosineME381939----
malonyl-CoAMalonyl-CoAME381947----
Methionine sulfoxideMethionine sulfoxideME381988----
Methylimidazoleacetic acidMethylimidazoleacetic acidME381859----
methyl indole-3-acetateIndole-3-methyl acetateME381914----
N(2)-acetyl-L-ornithineN-AcetylornithineME381866----
N6N6N6-Trimethyl-L-lysineN-6-TrimethyllysineME381870----
N-acetylneuraminic acidN-Acetylneuraminic acidME381880----
NAD+NAD+ME381896----
NADP+NADP+ME381897----
NeuNGc-ME381881----
NicotinamideNiacinamideME381857----
N-methyl-467-trihydroxy-1234-tetrahydroisoquinolin...-ME381875----
NN-dimethylglycineDimethylglycineME381924----
N-RibosylnicotinamideNicotinamide ribosideME381878----
O-acetylcarnitineCAR 2:0ME381959----
octanoyl carnitine/L-OctanoylcarnitineCAR 8:0ME381968----
octenoyl carnitineCAR 8:1ME381967----
OrnithineOrnithineME381902----
pendtadenoyl carnitine-ME381972----
phenylacetaldehydePhenylacetaldehydeME381921----
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME381853----
Propanoyl-CoAPropionyl-CoAME381943----
propionyl-carnitineCAR 3:0ME381960----
(R)-carnitineCarnitineME381958----
RiboflavinRiboflavinME381933----
(R)-mevalonateMevalonic acidME381905----
(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-...-ME381888----
S-(2-Methylpropanoyl)-dihydrolipoamideS-(2-Methylpropionyl)-dihydrolipoamide-EME381883----
(S)-3-hydroxybutanoyl-CoA3-Hydroxybutanoyl-CoAME381948----
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME381931----
S-adenosyl-L-methionineS-AdenosylmethionineME381932----
(-)-Salsolinol/NN-dimethyldopaminequinone-1-ME381912----
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME381867----
spermidine dialdehyde-2-ME381906----
sphingosine/(2S)-1-hydroxy-3-oxooctadecan-2-aminiu...-ME381915----
stearoylcarnitineCAR 18:0ME381977----
succinyl carnitineCAR DC4:0ME381963----
Succinyl-CoASuccinyl-CoAME381949----
Tetracosatetraenoyl carnitine-ME381978----
tetradecanoyl carnitine(myristoyl carnitine)CAR 14:0ME381979----
tetradecenoyl carnitineCAR 14:1ME381971----
thiamineThiamineME381882----
thymine/imidazol-4-ylacetate-ME381957----
tiglyl carnitineCAR 4:1;2MeME381964----
trans-Hexadec-2-enoyl carnitineCAR 16:1(2E)ME381980----
Trimethylamine N-oxideTrimethylamine N-oxideME381987----
Ureidopropionic acid/Glycyl-glycine-ME381900----
UrocanateUrocanic acidME381858----
xanthosineXanthosineME381876----


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
11'-Carboxy-alpha-chromanol-ME382052----
12,13-epoxy-9-hydroperoxy-10E-octadecenoate-ME382056----
13-carboxy-alpha-tocopherol-ME382068----
2-aminomuconate2-Aminomuconic acidME382009----
2-deoxy-D-ribose 5-phosphate/2-Deoxy-D-ribose 1-ph...-ME382076----
2-hydroxyamino-MeIQx-N2-(beta-1-glucosiduronyl)-2-...-ME382064----
2-Hydroxyglutarate2-Hydroxyglutaric acidME382156----
2-keto-3-deoxy-D-glycero-D-galactononic acid 9-pho...-ME382032----
2-methylglutaconic acid2-Methylglutaconic acidME382007----
2-oxoglutarate(2-)2-Oxoglutaric acidME382151----
3-dehydro-L-gulonate/D-glucuronate/L-iduronate-ME382085----
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME382031----
3-hydroxyanthranilate3-Hydroxyanthranilic acidME382014----
3-Hydroxybutyric acid3-Hydroxybutyric acidME382163----
3-Keto-beta-D-galactose/L-Gulonolactone-ME382082----
3-methyl-2-oxobutanoateKetoisovaleric acidME382000----
3-methyl-2-oxopentanoate/4-methyl-2-oxopentanoate(...-ME382078----
3-oxopropanoateMalonic semialdehydeME382069----
3(S)6(R)-dihydroxy-tetradec-8Z-enoate/3(S)6(S)-dih...-ME382047----
4-hydroperoxy-2-nonenal-ME382023----
4-hydroxy-2-nonenal/3,4-epoxynonanal-ME382089----
4-Hydroxyphenylacetate/2-Hydroxyphenylacetate/3,4-...-ME382088----
4-pyridoxate4-Pyridoxic acidME382019----
4(R)-hydroxy-dodec-6Z-enoate/4(S)-hydroxy-dodec-6Z...-ME382090----
5-Amino-1-(5-Phospho-D-ribosyl)imidazole-4-carboxa...-ME382119----
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-ME382070----
5-Phospho-beta-D-ribosylamine5-PhosphoribosylamineME382006----
6-Phosphogluconic acid6-Phosphogluconic acidME382013----
6(S)-hydroxy-tetradeca-2E4E8Z-trienoate/6(R)-hydro...-ME382045----
7,9-dihydro-1H-purine-2688(3H)-trione-ME382004----
8,11,14-Eicosatrienoic acid (DGLA)Dihomo-gamma-linolenic acidME382058----
9(10)-EpOME/12(13)-EpOME-ME382094----
9,10-hydroxyoctadec-12(Z)-enoate/12,13-hydroxyocta...-ME382095----
acetoacetateAcetoacetic acidME382155----
ADPADPME382125----
ADP-mannose/GDP-L-fucose/ADP alpha-D-glucoside-ME382105----
ADP-riboseADP-riboseME382062----
allantoateAllantoic acidME381997----
alpha-D-glucoseGlucoseME382141----
AMPAMPME382124----
arachidonic acidArachidonic acidME382098----
arginineArginineME382010----
aspartateAspartic acidME382117----
ATPATPME382126----
Azelaic acidAzelaic acidME382024----
beta-D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME382143----
beta-hydroxy-beta-methylbutyrate-ME382001----
C14H24O3(4)-ME382091----
C20H30O2(4)-ME382097----
C20H30O3(6)-ME382099----
C20H30O4(18)-ME382101----
C20H32O3(12)-ME382100----
C3H4O2(3)-ME381992----
C5H10O5(6)-ME382073----
C6H12O6(5)-ME382083----
caprateCapric acidME382035----
carnosineCarnosineME382026----
CDPCDPME382128----
cholesterol sulfateCholesterol sulfateME382067----
cis-aconitatecis-Aconitic acidME382150----
citrate/isocitrateCitric acid/Isocitric acidME382149----
clupanodonic acid/docosa-4,7,10,13,16-pentaenoic a...-ME382103----
CMPCMPME382127----
CTPCTPME382129----
cytidineCytidineME382136----
dATPdATPME382161----
DeoxyinosineDeoxyinosineME382139----
DeoxyuridineDeoxyuridineME382140----
D-Erythrose 4-phosphateErythrose 4-phosphateME381998----
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME382012----
D-Glucuronate 1-phosphate-ME382112----
D-Glycerate 3-phosphate/D-Glycerate 2-phosphate-ME382145----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME382144----
DiphosphatePyrophosphateME382110----
docosahexaenoate(DHA)DHAME382102----
dTMPdTMPME382159----
dTTPdTTPME382160----
dUDPdUDPME382133----
dUMPdUMPME382158----
Eicosenoic acidEicosenoic acidME382059----
Ercalcitriol-ME382108----
estrone 3-sulfateEstrone 3-sulfateME382057----
fructoseglycine-ME382020----
fructoselysine 3-phosphate-ME382060----
fructosyllysineFructosyllysineME382042----
fumarateFumaric acidME382153----
G6P/F6PGlucose 6-phosphateME382142----
GalactosylglycerolGalactosylglycerolME382028----
gama-L-glutamyl-L-alpha-aminobutyrate-ME382027----
GDPGDPME382122----
Glycerol 3-phosphatesn-Glycero-3-phosphateME381993----
Glycyl-phenylalanineGly-PheME382039----
GMPGMPME382121----
GTPGTPME382123----
guanosineGuanosineME382135----
gulonateGulonic acidME382086----
Hexadecanedioic acidHexadecanedioic acidME382053----
HypotaurineHypotaurineME381990----
HypoxanthineHypoxanthineME382118----
IMPIMPME382120----
inosineInosineME382134----
itaconate/Mesaconate-ME382071----
L-4-hydroxyglutamate semialdehyde-ME382072----
lactateLactic acidME382148----
L-arabinitol/xylitol/D-ribitol-ME382074----
laurateLauric acidME382040----
L-cysteateCysteic acidME382111----
L-erythruloseErythruloseME381995----
L-Fucose 1-phosphateFucose 1-phosphateME382011----
L-fucose/L-Fuculose-ME382079----
L-glutamateGlutamic acidME382114----
L-Iditol/D-glucitol/galactitol-ME382084----
linoleic acid/linoelaidic acid (all trans C18:2)/o...-ME382092----
L-isoleucine/L-leucineLeucine/IsoleucineME382109----
L-threonateThreonic acidME381996----
L-tryptophanTryptophanME382038----
L-xylonate/L-lyxonate-ME382075----
lysineLysineME382008----
malate(2-)Malic acidME382154----
margarateMargaric acidME382054----
Methylisocitric acid/2-methylcitrate-ME382087----
myo-inositolMyo-inositolME382115----
myristateMyristic acidME382044----
N1-(5-Phospho-D-ribosyl)glycinamideGARME382016----
N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamideFGARME382021----
N-acetyl-L-aspartate/2-Amino-3-oxoadipate-ME382081----
N-acetyl-L-cystathionine-ME382113----
N-acetyl-L-glutamateN-Acetylglutamic acidME382015----
N-acetyl-seryl-aspartate-ME382030----
NADHNADHME382065----
NADPHNADPHME382066----
N-Carbamoyl-L-aspartateCarbamoylaspartateME382005----
N-Formimidoyl-L-glutamateFormiminoglutamic acidME382080----
N(omega)-(L-Arginino)succinate-ME382037----
nonanoatePelargonic acidME382022----
N-phosphocreatinate-ME381999----
oleic acid/elaidate/trans-vaccenateOctadecenoic acidME382093----
omega hydroxy dodecanoate (n-C12:0)12-Hydroxy lauric acidME382041----
omega hydroxy hexadecanoate (n-C16:0)Juniperic acidME382051----
omega hydroxy tetradecanoate (n-C14:0)-ME382046----
O-Phospho-L-serinePhosphoserineME381994----
oxalateOxalic acidME381989----
palmitatePalmitic acidME382050----
palmitoleatePalmitoleic acidME382049----
pentadecanoatePentadecylic acidME382048----
Perillic acidPerillic acidME382033----
PhosphoenolpyruvatePhosphoenolpyruvic acidME382146----
pristanic acidPristanic acidME382096----
Propionic acidPropionic acidME382162----
pyruvatePyruvic acidME382147----
ribose-phosphateRibose 5-phosphateME382077----
(R)-PantothenatePantothenic acidME382025----
S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cystein...-ME382029----
(S)-dihydroorotate4,5-Dihydroorotic acidME382003----
sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME382018----
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME382017----
stearateStearic acidME382055----
succinate(2-)Succinic acidME382152----
TaurineTaurineME381991----
Taurodeoxycholic acid/taurochenodeoxycholate-ME382107----
tetradecenoate (n-C14:1)Tetradecenoic acidME382043----
ThymidineThymidineME382138----
trans-4,5-epoxy-2(E)-decenal-ME382034----
UDPUDPME382131----
UDP-alpha-D-xyloseUDP-D-xyloseME382061----
UDP-D-glucose/UDP-D-galactose-ME382104----
UDP-D-glucuronateUDP-glucuronic acidME382063----
UDP-N-acetyl-alpha-D-glucosamine/UDP-N-acetyl-alph...-ME382106----
UMPUMPME382130----
uracilUracilME382116----
uridineUridineME382137----
UTPUTPME382132----
ValineValineME382157----
w-hydroxydecanoicacid10-Hydroxydecanoic acidME382036----
XanthineXanthineME382002----


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