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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
12S-HHT12S-HHTrEME515835----
13-carboxy-gama-tocopherol-ME515847----
13'-Hydroxy-alpha-tocotrienol-ME515848----
1-methylnicotinamide1-Methyl nicotinamideME515945----
1-methylpyrrolinium1-MethylpyrroliniumME515938----
2-aminoacrylic acid2-Aminoacrylic acidME515792----
2-deoxycytidineDeoxycytidineME515906----
2-deoxy-D-ribose2-Deoxy-riboseME515798----
2-keto-4-methylthiobutyrate-ME515799----
2-phenylethanaminePhenylethylamineME515812----
3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine-ME515829----
3-HydroxybutyrylcarnitineCAR 4:0;3OHME515915----
3-hydroxyhexadecanoylcarnitineCAR 16:0;3OHME515928----
3-hydroxyhexadecenoylcarnitineCAR 12:1;OHME515927----
3-hydroxy-isovaleryl carnitineCAR 4:0;OH,MeME515918----
3-Hydroxy-N6N6N6-trimethyl-L-lysine-ME515820----
3-oxo-10(R)-hydroxy-octadeca-6E8E12Z-trienoate/3-o...-ME515872----
3-Ureidoisobutyrate/Glycylsarcosine-ME515855----
4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-g...-ME515877----
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME515804----
4-trimethylammoniobutanal-ME515809----
5,6-dihydrothymineDihydrothymineME515797----
5-amino-1-(5-phospho-D-ribosyl)imidazole-ME515816----
5-guanidino-2-oxopentanoic acid-ME515881----
5-Methylthioadenosine5'-MethylthioadenosineME515830----
5-S-glutathionyl-dopamine-ME515843----
acetamidopropanalAcetamidopropanalME515853----
Acetyl adenylateAcetyl adenylateME515837----
acetylcholine/4-(trimethylammonio)butanoate-ME515859----
adenineAdenineME515907----
adenosineAdenosineME515905----
alpha-linolenyl carnitine/gamma-linolenyl carnitin...CAR 18:3ME515934----
anthranilate2-Aminobenzoic acidME515810----
benzoateBenzoic acidME515808----
beta-1-4-mannose-N-acetylglucosamine-ME515839----
beta-carbolinebeta-CarbolineME515825----
bilirubinBilirubinME515849----
BiotinBiotinME515892----
butyryl carnitineCAR 4:0ME515914----
C18H32O4(3)-ME515873----
C20H28O2(7)-ME515875----
C20H28O(5)-ME515874----
C20H32O6(8)-ME515876----
C27H44O2(5)-ME515878----
C27H44O3(5)-ME515880----
C27H46O2(5)-ME515879----
C4H9NO2(4)-ME515850----
C6H11NO3(4)-ME515856----
C9H13N5O3(4)-ME515821----
C9H8O3(3)-ME515865----
CDPcholineCDP-cholineME515841----
CDP-ethanolamineCDP-EthanolamineME515836----
cholineCholineME515888----
choline phosphateCholine phosphateME515801----
citr_L[e]-ME515806----
CMP-N-acetyl-beta-neuraminate-ME515845----
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME515840----
Coenzyme ACoenzyme AME515897----
coumarinCoumarinME515817----
creatineCreatineME515795----
creatinineCreatinineME515794----
cytosineCytosineME515909----
D-Alanyl-D-alanineD-Alanyl-D-AlanineME515805----
decanoyl carnitineCAR 10:0ME515923----
decenoyl carnitineCAR 10:1ME515922----
D-GlucosamineGlucosamineME515807----
dopaminochrome-ME515813----
Elaidic carnitine/Vaccenyl carnitine-ME515936----
Flavin adenine dinucleotide oxidizedFADME515846----
FolateFolic acidME515896----
gama-glutamylglutathione-ME515842----
gama-L-glutamyl-L-alanine/5-L-Glutamyl-L-alanine-1-ME515864----
glutaryl carnitineCAR DC5:0ME515919----
glutathioneGlutathioneME515824----
GlycerolGlycerolME515901----
glycineGlycineME515939----
glycine betaineBetaineME515899----
GlycylleucineGly-LeuME515863----
Glycylproline/L-Prolinylglycine-ME515861----
GSSGOxidized glutathioneME515844----
GuanineGuanineME515908----
heptadecanoyl carnitineCAR 17:0ME515929----
histamineHistamineME515852----
isoputreanine/putreanine-ME515860----
L-alanineAlanineME515903----
L-Alanyl-L-leucineAla-LeuME515819----
L-asparagineAsparagineME515886----
lauroyl carnitineCAR 12:0ME515937----
L-cysteineCysteineME515884----
L-cysteinylglycineCys-GlyME515800----
L-glutamineGlutamineME515900----
L-histidineHistidineME515890----
L-homocysteineHomocysteineME515887----
limonene/(+)-alpha-pinene-ME515867----
Linoleyl carnitine/Linoelaidyl carnitineCAR 18:2ME515935----
L-kynurenine/Formyl-5-hydroxykynurenamine-ME515870----
L-methionineMethionineME515889----
L-palmitoylcarnitineCAR 16:0ME515926----
L-phenylalaninePhenylalanineME515891----
L-prolineProlineME515904----
L-serineSerineME515883----
L-threonineThreonineME515898----
L-tyrosineTyrosineME515902----
lysyl-prolineLys-ProME515827----
Methylimidazoleacetic acidMethylimidazoleacetic acidME515803----
N1,N12-diacetylspermidine-ME515826----
N(2)-acetyl-L-ornithineN-AcetylornithineME515811----
N6N6N6-Trimethyl-L-lysineN-6-TrimethyllysineME515818----
N-AcetylmethionineN-AcetylmethionineME515862----
N-acetylneuraminic acidN-Acetylneuraminic acidME515831----
NAD+NAD+ME515943----
NADP+NADP+ME515944----
NeuNGc-ME515832----
NicotinamideNiacinamideME515942----
nicotinamide nucleotide-ME515941----
N-methyl-467-trihydroxy-1234-tetrahydroisoquinolin...-ME515822----
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME515793----
NN-dimethylglycineDimethylglycineME515885----
N-RibosylnicotinamideNicotinamide ribosideME515828----
O-acetylcarnitineCAR 2:0ME515912----
octanoyl carnitine/L-OctanoylcarnitineCAR 8:0ME515921----
octenoyl carnitineCAR 8:1ME515920----
OrnithineOrnithineME515854----
pendtadenoyl carnitine-ME515925----
phenylacetaldehydePhenylacetaldehydeME515882----
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME515796----
propionyl-carnitineCAR 3:0ME515913----
pseudoecgonine/ecgonine-ME515866----
PyridoxalPyridoxalME515814----
(R)-carnitineCarnitineME515911----
RiboflavinRiboflavinME515895----
(R)-mevalonateMevalonic acidME515857----
(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-...-ME515838----
S-(2-Methylpropanoyl)-dihydrolipoamideS-(2-Methylpropionyl)-dihydrolipoamide-EME515834----
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME515893----
S-adenosyl-L-methionineS-AdenosylmethionineME515894----
(-)-Salsolinol/NN-dimethyldopaminequinone-1-ME515868----
sarcosineSarcosineME515940----
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME515815----
spermidine dialdehyde-2-ME515858----
sphingosine/(2S)-1-hydroxy-3-oxooctadecan-2-aminiu...-ME515871----
stearoylcarnitineCAR 18:0ME515930----
succinyl carnitineCAR DC4:0ME515916----
Tetracosatetraenoyl carnitine-ME515931----
tetradecanoyl carnitine(myristoyl carnitine)CAR 14:0ME515932----
tetradecenoyl carnitineCAR 14:1ME515924----
thiamineThiamineME515833----
thymine/imidazol-4-ylacetate-ME515910----
tiglyl carnitineCAR 4:1;2MeME515917----
trans-Hexadec-2-enoyl carnitineCAR 16:1(2E)ME515933----
Ureidopropionic acid/Glycyl-glycine-ME515851----
UrocanateUrocanic acidME515802----
xanthosineXanthosineME515823----
Xanthurenic acidXanthurenic acidME515869----


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-ME516019----
12,13-epoxy-9-hydroperoxy-10E-octadecenoate-ME516023----
13-carboxy-alpha-tocopherol-ME516042----
1,3-diphosphoglycerate /2,3-diphosphoglycerate /(1...-ME516046----
15(S)-Hydroxyeicosatrienoic acid-ME516027----
2-acetamido-5-oxopentanoate-ME515979----
2-aminomuconate2-Aminomuconic acidME515969----
2-deoxy-D-ribose 5-phosphate/2-Deoxy-D-ribose 1-ph...-ME516055----
2-hydroxyamino-MeIQx-N2-(beta-1-glucosiduronyl)-2-...-ME516034----
2-Hydroxyglutarate2-Hydroxyglutaric acidME516150----
2-keto-3-deoxy-D-glycero-D-galactononic acid 9-pho...-ME515998----
2-methylglutaconic acid2-Methylglutaconic acidME515966----
2-oxoadipateOxoadipic acidME515970----
2-oxoglutarate2-Oxoglutaric acidME516145----
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholestanoa...-ME516097----
3-dehydro-L-gulonate/D-glucuronate/L-iduronate-ME516062----
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME515997----
3-methyl-2-oxobutanoateKetoisovaleric acidME515957----
3-methyl-2-oxopentanoate/4-methyl-2-oxopentanoate(...-ME516057----
3-oxo-6(R)-hydroxy-tetradec-8-cis-enoate/3-oxo-6(S...-ME516073----
3-oxo-8(R)-hydroxy-hexadeca-6E10Z-dienoate/3-oxo-8...-ME516076----
3-oxopropanoateMalonic semialdehydeME516043----
3(S)6(R)-dihydroxy-tetradec-8Z-enoate/3(S)6(S)-dih...-ME516014----
4alpha-5-epoxy-8alpha-hydroperoxytocopherone/7-8-e...-ME516099----
4-hydroperoxy-2-nonenal-ME515989----
4-hydroxy-2-nonenal/3,4-epoxynonanal-ME516069----
4-hydroxybenzoate/Gentisate aldehyde-ME515977----
4-Hydroxyphenylacetate/2-Hydroxyphenylacetate/3,4-...-ME516067----
4-nitrophenolate-ME515965----
4-Nitrophenyl sulfate-ME515973----
4(R)-hydroxy-dodec-6Z-enoate/4(S)-hydroxy-dodec-6Z...-ME516071----
5-Amino-1-(5-Phospho-D-ribosyl)imidazole-4-carboxa...-ME516113----
5-Hydroxyisourate5-Hydroxyisouric acidME515962----
5-Methylthio-5-deoxy-D-ribulose 1-phosphate/5-Meth...-ME516064----
5-O-phosphonato-alpha-D-ribofuranosyl diphosphate-ME516111----
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-ME516049----
5-Phospho-beta-D-ribosylamine5-PhosphoribosylamineME515963----
6-Phosphogluconic acid6-Phosphogluconic acidME515976----
6(S)-hydroxy-tetradeca-2E4E8Z-trienoate/6(R)-hydro...-ME516012----
7,9-dihydro-1H-purine-2688(3H)-trione-ME515960----
8,11,14-Eicosatrienoic acid (DGLA)Dihomo-gamma-linolenic acidME516025----
8(R)-hydroxy-hexadeca-2E4E6E10Z-tetraenoate/8(S)-h...-ME516074----
9(10)-EpOME/12(13)-EpOME-ME516079----
9,10-hydroxyoctadec-12(Z)-enoate/12,13-hydroxyocta...-ME516080----
acetoacetateAcetoacetic acidME516149----
adipic acidAdipic acidME515967----
ADPADPME516119----
ADP-mannose/GDP-L-fucose/ADP alpha-D-glucoside-ME516093----
ADP-riboseADP-riboseME516155----
adrenochrome/N-benzoylglycinate-ME516070----
allantoateAllantoic acidME515954----
alpha-D-glucoseGlucoseME516136----
AMPAMPME516118----
arachidonic acidArachidonic acidME516083----
arginineArginineME515972----
aspartateAspartic acidME516110----
ATPATPME516120----
Azelaic acidAzelaic acidME515990----
beta-D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME516138----
beta-hydroxy-beta-methylbutyrate-ME515958----
C14H24O3(4)-ME516072----
C16H26O3(4)-ME516075----
C20H30O2(4)-ME516082----
C20H30O3(6)-ME516085----
C20H30O4(18)-ME516087----
C20H32O3(12)-ME516086----
C20H32O4(21)-ME516088----
C20H34O4(4)-ME516089----
C27H46O4(3)-ME516096----
C3H4O2(3)-ME515949----
C4H6O3(3)-ME516047----
C4H8O3(3)-ME516048----
C5H10O5(6)-ME516052----
C6H12O6(5)-ME516060----
caprateCapric acidME516001----
carnosineCarnosineME515992----
CDPCDPME516123----
cholesterol sulfateCholesterol sulfateME516041----
cis-aconitatecis-Aconitic acidME516144----
citrate/isocitrateCitric acid/Isocitric acidME516143----
clupanodonic acid/docosa-4,7,10,13,16-pentaenoic a...-ME516091----
CMPCMPME516122----
CTPCTPME516124----
cytidineCytidineME516131----
dATPdATPME516154----
dCTPdCTPME516106----
DeoxyinosineDeoxyinosineME516134----
DeoxyuridineDeoxyuridineME516135----
D-Erythrose 4-phosphateErythrose 4-phosphateME515955----
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME515975----
D-Glucuronate 1-phosphate-ME516104----
D-glycerateGlyceric acidME516045----
D-Glycerate 3-phosphate/D-Glycerate 2-phosphate-ME516140----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME516139----
dIMPdIMPME516004----
DiphosphatePyrophosphateME516102----
docosahexaenoate(DHA)DHAME516090----
docosanedioicacidDocosanedioic acidME516035----
Dodecanedioic acidDodecanedioic acidME516008----
dTMPdTMPME516152----
dTTPdTTPME516153----
dUDPdUDPME516128----
dUMPdUMPME516151----
Eicosenoic acidEicosenoic acidME516026----
Ercalcitriol-ME516098----
erythro-5-hydroxy-L-lysinium-ME515971----
estrone 3-sulfateEstrone 3-sulfateME516024----
fructoseglycine-ME515985----
fructoselysine 3-phosphate-ME516029----
fructosyllysineFructosyllysineME516009----
fumarateFumaric acidME516147----
G6P/F6PGlucose 6-phosphateME516137----
GalactosylglycerolGalactosylglycerolME515994----
gama-L-glutamyl-L-alpha-aminobutyrate-ME515993----
GDPGDPME516116----
GDP-D-mannose-ME516033----
Glycerol 3-phosphatesn-Glycero-3-phosphateME515950----
glycochenodeoxycholateGlycochenodeoxycholic acidME516038----
glycolithocholateGlycolithocholic acidME516037----
GMPGMPME516115----
GTPGTPME516117----
guanosineGuanosineME516130----
gulonateGulonic acidME516063----
Hexadecanedioic acidHexadecanedioic acidME516020----
HypotaurineHypotaurineME515947----
HypoxanthineHypoxanthineME516112----
IMPIMPME516114----
inosineInosineME516129----
itaconate/Mesaconate-ME516050----
kynurenateKynurenic acidME516002----
L-4-hydroxyglutamate semialdehyde-ME516051----
lactateLactic acidME516142----
L-arabinitol/xylitol/D-ribitol-ME516053----
laurateLauric acidME516006----
L-cystathionineCystathionineME515981----
L-cysteateCysteic acidME516103----
L-erythruloseErythruloseME515952----
L-Fucose 1-phosphateFucose 1-phosphateME515974----
L-glutamateGlutamic acidME516107----
L-Iditol/D-glucitol/galactitol-ME516061----
linoleic acid/linoelaidic acid (all trans C18:2)/o...-ME516077----
L-isoleucine/L-leucineLeucine/IsoleucineME516100----
lithocholateLithocholic acidME516036----
L-threonateThreonic acidME515953----
L-tryptophanTryptophanME516005----
L-xylonate/L-lyxonate-ME516054----
lysineLysineME515968----
malateMalic acidME516148----
Malonate/3-hydroxypyruvate-ME516044----
margarateMargaric acidME516021----
Methylisocitric acid/2-methylcitrate-ME516065----
myo-inositolMyo-inositolME516108----
myristateMyristic acidME516011----
N1-(5-Phospho-D-ribosyl)glycinamideGARME515982----
N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamideFGARME515987----
N-acetyl-L-aspartate/2-Amino-3-oxoadipate-ME516059----
N-acetyl-L-cystathionine-ME516105----
N-acetyl-L-glutamateN-Acetylglutamic acidME515980----
N-Acetylneuraminate 9-phosphate-ME516028----
N-acetyl-seryl-aspartate-ME515996----
NADHNADHME516156----
NADPHNADPHME516157----
N-Carbamoyl-L-aspartateCarbamoylaspartateME515961----
N-Formimidoyl-L-glutamateFormiminoglutamic acidME516058----
N-formylanthranilate/noradrenochrome-ME516068----
N(omega)-(L-Arginino)succinate-ME516003----
nonanoatePelargonic acidME515988----
N-phosphocreatinate-ME515956----
oleic acid/elaidate/trans-vaccenateOctadecenoic acidME516078----
omega hydroxy dodecanoate (n-C12:0)12-Hydroxy lauric acidME516007----
omega hydroxy hexadecanoate (n-C16:0)Juniperic acidME516018----
omega hydroxy tetradecanoate (n-C14:0)-ME516013----
O-Phospho-L-serinePhosphoserineME515951----
orotateOrotic acidME516121----
oxalateOxalic acidME515946----
palmitatePalmitic acidME516017----
palmitoleatePalmitoleic acidME516016----
pentadecanoatePentadecylic acidME516015----
Perillic acidPerillic acidME515999----
phenylacetate/(4-hydroxyphenyl)acetaldehyde-ME516066----
PhosphoenolpyruvatePhosphoenolpyruvic acidME516141----
phytanic acid/arachidic acid-ME516084----
pristanic acidPristanic acidME516081----
pyruvatePyruvic acidME516158----
quinolinateQuinolinic acidME515978----
(R)-2-hydroxy-4-methylpentanoate-ME515964----
ribose-phosphateRibose 5-phosphateME516056----
(R)-PantothenatePantothenic acidME515991----
(R)-S-lactoylglutathionate-ME516030----
S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cystein...-ME515995----
sedoheptulose 1,7-bisphosphateSedoheptulose 1,7-bisphosphateME515984----
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME515983----
stearateStearic acidME516022----
succinateSuccinic acidME516146----
Sulfate derivative of norepinephrine-ME515986----
sulfoglycolithocholateSulfoglycolithocholic acidME516040----
TaurineTaurineME515948----
Taurodeoxycholic acid/taurochenodeoxycholate-ME516095----
taurolithocholateTaurolithocholic acidME516039----
tetradecenoate (n-C14:1)Tetradecenoic acidME516010----
thiosulfate-ME516101----
ThymidineThymidineME516133----
trans-4,5-epoxy-2(E)-decenal-ME516000----
UDPUDPME516126----
UDP-alpha-D-xyloseUDP-D-xyloseME516031----
UDP-D-glucose/UDP-D-galactose-ME516092----
UDP-D-glucuronateUDP-glucuronic acidME516032----
UDP-N-acetyl-alpha-D-glucosamine/UDP-N-acetyl-alph...-ME516094----
UMPUMPME516125----
uracilUracilME516109----
uridineUridineME516132----
UTPUTPME516127----
XanthineXanthineME515959----


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
acetyl-CoAAcetyl-CoAME516159----
crotonoyl-CoACrotonoyl-CoAME516161----
Hydroxymethylglutaryl-CoAHydroxymethylglutaryl-CoAME516167----
isobutyryl-CoAIsobutyryl-CoAME516162----
Isovaleryl-CoAIsovaleryl-CoAME516163----
malonyl-CoAMalonyl-CoAME516164----
Propanoyl-CoAPropionyl-CoAME516160----
(S)-3-hydroxybutanoyl-CoA3-Hydroxybutanoyl-CoAME516165----
Succinyl-CoASuccinyl-CoAME516166----


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
NADHNADHME516168----


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