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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
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one1,2-Dihydroxy-3-keto-5-methylthiopenteneME160583-C156068.009734618-
1H-Imidazole-4-ethanamineHistamineME160584-C0038814.68158614-
2,3-DimethylmaleateDimethyl maleateME160585-C0092215.75995756-
2-Amino-9,10-epoxy-8-oxodecanoic acid2-Amino-9,10-epoxy-8-oxodecanoic acidME160586-C1202712.74781907-
2-Aminoacrylate2-Aminoacrylic acidME160587-C0221816.31347787-
2-Oxobutanoate3-Methyl pyruvic acidME160588-C0010913.85622112-
3,3',4',5,7-Pentahydroxy-8-methoxyflavoneCorniculatusinME160589-C0452714.46950629-
3,4-Dihydroxy-L-phenylalanineDOPAME160590-C003557.920188348-
3,5/4-Trihydroxycyclohexa-1,2-dioneOxoadipic acidME160591-C0032211.67437337-
3-Butynoate3-Butynoic acidME160592-C0614413.45557672-
3-Carbamoyl-2-phenylpropionaldehydePhenylacetylglycineME160593-C055984.589521638-
3-deoxy-D-galactose3-DeoxygalactoseME160594--12.119734-
3-Ethylmalate-ME160595-C0198912.37726284-
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine3-Hydroxy-N6,N6,N6-trimethyl-lysineME160596-C0125919.55267173-
3-Methyl-2-oxobutanoic acidKetoisovaleric acidME160597-C0014113.8793313-
3-Methyleneoxindole3-MethyleneoxindoleME160598-C0279611.51097931-
3-nitro-2-pentanol-ME160599--7.916673835-
3-propylphosphoenolpyruvate-ME160600--21.61947412-
3-ureidoacrylate-ME160601--15.30687166-
4-Aminobutanal4-AminobutyraldehydeME160603-C0055510.47914874-
4-Aminobutanoategamma-Aminobutyric acidME160604-C0033414.93077649-
4-Hydroxy-4-methylglutamate(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME160605-C0603412.35102289-
4-(Trimethylammonio)but-2-enoate(E)-4-(Trimethylammonio)but-2-enoateME160602-C0411410.66654915-
4-Trimethylammoniobutanoate3-DehydroxycarnitineME160606-C0199613.30066459-
5-6-Dihydrouridine5,6-DihydrouridineME160608--13.70178207-
5-Acetamidopentanoate5-Acetamidovaleric acidME160609-C0308712.21800354-
5-Aminolevulinate5-Amino-levulinic acidME160610-C0043014.33130399-
5-Guanidino-2-oxopentanoate2-OxoarginineME160611-C0377114.12962385-
5-Hydroxytryptophan5-Hydroxy-tryptophanME160612-C0064310.7093848-
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-sem...-ME160607-C0479612.45956161-
5'-Methylthioadenosine5'-MethylthioadenosineME160613-C001707.92197674-
5-Nitro-2-(3-phenylpropylamino)benzoic acidNPPBME160614-C137054.685598812-
6,7-Dimethyl-8-(1-D-ribityl)lumazine6,7-Dimethyl-8-(1-D-ribityl)lumazineME160615-C0433212.86768217-
6-Acetyl-D-glucose6-AcetylglucoseME160616-C0265514.10003289-
6-deoxy-5-ketofructose-1-phosphate-ME160617-C0429915.96567637-
6-Hydroxyl-1,6-dihydropurine ribonucleoside6-Hydroxyl-1,6-dihydropurine ribonucleosideME160618-C0458314.74286317-
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tet...-ME160571-C0038610.93718458-
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-...-ME160619--8.480309612-
Acetone cyanohydrin2-Hydroxy-2-methylpropanenitrileME160620-C0265914.72621841-
AdenineAdenineME160621-C001479.637566682-
ADPADPME160622-C0000815.08275003-
aeruginosin A-ME160623--23.23980745-
Ala-Ala-Ala-Asp-ME160624--13.4639694-
Ala-Ala-Asp-Tyr-ME160625--11.12163267-
Ala-Ala-Gln-Ser-ME160626--16.33326558-
Ala-Ala-SerAla-Ala-SerME160627--11.87699626-
Ala-Asn-Asn-Asp-ME160628--12.98881602-
Ala-Asn-ProAla-Asn-ProME160629--12.30264878-
Ala-Asp-AspAla-Asp-AspME160630-C1169216.67773835-
Ala-Asp-Cys-Ser-ME160631--17.1772604-
Ala-Asp-Gly-Arg-ME160632--15.77446031-
Ala-Asp-Gly-Pro-ME160633--15.44021603-
Ala-Asp-ProAla-Asp-ProME160634--14.69916291-
Ala-Asp-SerAla-Asp-SerME160635--15.60887316-
Ala-Glu-Gln-Glu-ME160636--15.80856297-
Ala-Glu-Glu-His-ME160637--15.41563137-
Ala-Gly-GlyAla-Gly-GlyME160638--12.78188403-
Ala-Gly-ProAla-Gly-ProME160639--12.28347884-
Ala-Gly-SerAla-Gly-SerME160640--12.48869313-
Ala-Leu-Asn-Ser-ME160641--15.06069385-
Ala-Leu-Lys-Asp-ME160642--13.31820256-
Ala-Leu-Thr-Ala-ME160643--14.45386969-
Ala-Leu-Trp-Ser-ME160644--7.917790712-
Ala-Lys-Asp-Gly-ME160645--16.03181181-
Ala-Lys-Lys-Asp-ME160646--14.17002025-
Ala-ProAla-ProME160647--11.20014243-
Ala-Pro-Ser-Ser-ME160648--12.09238029-
Ala-Thr-Ala-Asp-ME160649--16.86079795-
Ala-Thr-Ala-Ser-ME160650--16.42331959-
Ala-Thr-Asp-Asp-ME160651--15.31931352-
Ala-Thr-Thr-Ala-ME160652--15.58670119-
Ala-Val-Asp-Ser-ME160653--16.99970718-
AloesinAloesinME160654-C0899413.88693208-
alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyrano...-ME160568--16.07270197-
AMPAMPME160655-C0002013.69972701-
AmurensineAmurensineME160656-C0517414.39524708-
Asn-AsnAsn-AsnME160657--13.75428331-
Asn-Asn-AspAsn-Asn-AspME160658--16.03056287-
Asn-Asn-Gln-Ser-ME160659--17.8626463-
Asn-AspAsn-AspME160660--15.76919049-
Asn-Asp-ProAsn-Asp-ProME160661--15.62281415-
Asn-Leu-Pro-Pro-ME160662--10.75302527-
Asn-Lys-Gly-Pro-ME160663--15.44071543-
Asn-ProAsn-ProME160664--13.27066675-
Asn-Thr-Cys-His-ME160665--17.1916048-
Asn-Val-Asn-Asn-ME160666--9.154903947-
Asp-ArgAsp-ArgME160667--16.38935501-
Aspartyl-L-prolineAsp-ProME160668--15.2451712-
Asp-Asp-Gln-Pro-ME160669--16.16861332-
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME160670-C0552616.89750572-
Asp-Gly-ArgAsp-Gly-ArgME160671--17.59772222-
Asp-Leu-Lys-Asp-ME160672--14.16160855-
Asp-Lys-Asp-Pro-ME160673--14.73542375-
Asp-Met-Asp-Gly-ME160674--12.92685871-
Asp-Ser-SerAsp-Ser-SerME160675--16.92430812-
Asp-Thr-Cys-Cys-ME160676--16.59994212-
Asp-Val-Pro-Ser-ME160677--10.08476536-
ATPATPME160678-C0000216.88650578-
Avenic acid A-ME160679--15.02904839-
Benzene-1,2,4-triol1,2,4-TrihydroxybenzeneME160680-C0281415.87843791-
BrunfelsamidineBrunfelsamidineME160681-C1013311.67575828-
CDP-cholineCDP-cholineME160682-C0030715.25785803-
CDP-ethanolamineCDP-EthanolamineME160683-C0057016.23379561-
CholineCholineME160684-C0011419.6016313-
Choline phosphateCholine phosphateME160685-C0058814.89702589-
Cohibin A-ME160686--3.727624978-
ConvicineConvicineME160687-C0843018.19658087-
CorydalineCorydalineME160688-C1553010.69793077-
CreatineCreatineME160689-C0030014.58454522-
CreatinineCreatinineME160690-C007919.754423402-
CytidineCytidineME160691-C0047511.87534045-
dCMPdCMPME160692-C0023915.21684043-
D-erythro-D-galacto-octitolD-Erythro-D-galacto-octitolME160693--15.45396057-
D-Erythrose 4-phosphateErythrose 4-phosphateME160694-C0027912.56352465-
DG(P-32:1)DG P-32:1ME160695-C138643.813771868-
DiacetylDiacetylME160696-C0074115.40799183-
dibenzothiophene-5-oxide-ME160697--11.6921232-
Dieporeticenin-ME160698--3.687995238-
Dihydroclavaminic acidDihydroclavaminic acidME160699-C0444614.6831098-
Dihydroferuloylglycine-ME160700--4.583076887-
dihydrothymidine5,6-DihydrothymidineME160701--15.05045983-
Dihydrozeatin-O-glucosideDihydrozeatin-O-glucosideME160702-C1644810.94858026-
EPC(d35:1)EPC 35:1;O2ME160703--4.381158368-
EPC(d38:1)EPC 38:1;O2ME160704--4.356032763-
epsilon-aminocaproamideN-AcetylputrescineME160569-C027149.405553752-
Epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME160705--15.18031292-
Ethanolamine phosphatePhosphoethanolamineME160706-C0034615.85984346-
[FA (5:2)] 2,4-pentadienoic acidbeta-Vinyl acrylic acidME160576--13.90865078-
FA oxo(19:0)-ME160707--4.177041927-
[FA oxo(21:0)] 2-oxo-heneicosanoic acid-ME160577--4.90823809-
FebrifugineFebrifugineME160708-C106778.612407335-
Furfural2-FurancarboxaldehydeME160709-C0709014.89974428-
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME160710-C1570011.27300337-
Gamma-Glutamylglutaminegamma-GlutamylglutamineME160711-C0528315.10169887-
Gammaglutamylornithinegamma-GlutamylornithineME160712--16.35634288-
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME160713-C0569516.11201819-
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME160714-C0066914.02121723-
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME160715-C0454412.75585598-
gamma-thiomethyl glutamate-ME160570--12.71925857-
GDPGDPME160716-C0003518.00423233-
GDP-3,6-dideoxy-D-galactoseGDP-3,6-dideoxy-D-galactoseME160717-C0513612.61901409-
GDP-L-fucoseGDP-L-fucoseME160718-C0032517.40912637-
Glu-Ala-AspGlu-Ala-AspME160719--16.05614067-
Glu-Ala-GluGlu-Ala-GluME160720--16.03948752-
Glu-Ala-ProGlu-Ala-ProME160721--14.52230812-
Glu-Ala-SerGlu-Ala-SerME160722--14.6343631-
Glu-Ala-ValGlu-Ala-ValME160723--10.83871426-
Glu-ArgGlu-ArgME160724--16.47629071-
Glu-Asp-ValGlu-Asp-ValME160725--15.86720236-
Glu-GluGlu-GluME160726-C0142516.67242368-
Glu-Glu-Gln-His-ME160727--15.9841439-
Glu-Glu-Lys-Pro-ME160728--16.33208264-
Glu-Glu-ProGlu-Glu-ProME160729--16.7930617-
Glu-Ser-ValGlu-Ser-ValME160730--11.20719268-
GlutathioneGlutathioneME160731-C0005114.25103424-
Glutathione disulfideOxidized glutathioneME160732-C0012717.32255105-
Glu-ThrGlu-ThrME160733--14.65517066-
Glycerone phosphateDihydroxyacetone phosphateME160734-C0011115.26035888-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME160735-C0327412.468157-
GMPGMPME160736-C0014416.60256856-
GuanineGuanineME160737-C0024212.28144914-
HemeHemeME160738-C0003228.37090072-
HercynineHercynineME160739-C0557512.23980718-
HexylamineHexylamineME160740-C083069.069618425-
Histidinyl-HistidineHis-HisME160741--11.70304696-
HydroxybutyrylcarnitineCAR 4:0;OHME160742--11.3869783-
HypaphorineLenticinME160743-C092138.770017188-
HypoxanthineHypoxanthineME160744-C0026210.17638429-
Ile-AlaIle-AlaME160745--12.73306315-
Ile-Cys-GlyIle-Cys-GlyME160746--10.94493488-
Ile-LysIle-LysME160747--12.36149337-
Ile-Lys-ProIle-Lys-ProME160748--20.99745465-
Ile-Lys-SerIle-Lys-SerME160749--17.34011613-
Ile-Ser-ValIle-Ser-ValME160750--16.6496813-
IMPIMPME160751-C0013015.38183613-
IndoleIndoleME160752-C0046311.51558199-
IndoleacrylicacidIndoleacrylic acidME160753--11.51407495-
InosineInosineME160754-C0029410.88017245-
IsolinderanolideIsolinderanolideME160755-C146803.879741938-
IsoquinolineIsoquinolineME160756-C0632311.50603712-
Isovalerylglutamicacid-ME160757--13.04108864-
Kievitone hydrateKievitone hydrateME160758-C0254910.17162181-
L-2-Aminoadipatealpha-Aminoadipic acidME160759-C0095614.51761233-
L-AlanineAlanineME160760-C0004114.64761963-
L-ArginineArginineME160761-C0006223.24880303-
L-AsparagineAsparagineME160762-C0015215.14769216-
L-beta-aspartyl-L-asparticacid-ME160763--17.26788907-
L-beta-aspartyl-L-glutamicacid-ME160764--17.16697462-
L-beta-aspartyl-L-threonine-ME160765--15.49368379-
L-CitrullineCitrullineME160766-C0032715.78093105-
L-CystineCystineME160767-C0049116.09894124-
Leu-ProLeu-ProME160768--13.02349964-
L-gamma-glutamyl-L-isoleucinegamma-GlutamylisoleucineME160769--10.8440369-
L-gamma-glutamyl-L-valinegamma-GlutamylvalineME160770--12.24217843-
L-GlutamateGlutamic acidME160771-C0002514.60048306-
L-GlutamineGlutamineME160772-C0006414.9414386-
L-HistidineHistidineME160773-C0013514.51026897-
L-LeucineLeucineME160774-C0012310.89131559-
L-LysineLysineME160775-C0004722.388836-
L-Lysine 1,6-lactamL-2-aminohexano-6-lactamME160776-C0283712.76760488-
L-MethionineMethionineME160777-C0007311.43186211-
L-Methionine S-oxideMethionine sulfoxideME160778-C0298913.17751114-
L-OrnithineOrnithineME160779-C0007721.62335862-
L-PhenylalaninePhenylalanineME160780-C0007910.18154312-
L-PipecolatePipecolic acidME160781-C0040812.25338332-
L-ProlineProlineME160782-C0014812.72978958-
L-proline amide-ME160783--10.77217611-
L-SerineSerineME160784-C0006515.61876541-
L-ThreonineThreonineME160785-C0018814.2186969-
L-TryptophanTryptophanME160786-C0007811.51639392-
L-TyrosineTyrosineME160787-C0008212.8227608-
Lys-AsnLys-AsnME160788--16.45193817-
Lys-GlyLys-GlyME160789--16.58800738-
Lys-Gly-HisLys-Gly-HisME160790--15.60160496-
Lys-HisLys-HisME160791--16.02490988-
LysoPC(16:0)LPC 16:0ME160792-C042304.659361767-
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...LPC O-16:0ME160578-C139034.672220937-
LysoPC(18:1(9Z))LPC 18:1(9Z)ME160793-C042307.904555468-
LysoPC(18:3(6Z,9Z,12Z))LPC 18:3(6Z,9Z,12Z)ME160794-C042304.653323318-
LysoPC(20:4)LPC 20:4ME160795-C042304.59468852-
LysoPC(22:5)LPC 22:5ME160796-C042304.540266967-
LysoPC(O-18:0)LPC O-18:0ME160797-C043174.641037935-
LysoPE(20:0)LPE 20:0ME160798-C042304.641185945-
Lys-ProLys-ProME160799--15.14648829-
Lys-SerLys-SerME160800--16.47653482-
Lys-Ser-TyrLys-Ser-TyrME160801--15.43916856-
Lys-ThrLys-ThrME160802--15.63752758-
Lys-Thr-SerLys-Thr-SerME160803--15.41514597-
Lys-ValLys-ValME160804--13.64166294-
MES-ME160805--12.41813538-
Met-Ala-GlyMet-Ala-GlyME160806--12.62160543-
MethacholineMethacholineME160807-C0747113.29587602-
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME160808-C0122314.12820737-
Met-SerMet-SerME160809--10.43729915-
Montecristin-ME160810--3.716742138-
Muramic acidMuramic acidME160811-C0647014.40122606-
MycosporineMycosporineME160812-C0833211.45260404-
N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine-ME160814--11.56915924-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME160817-C1298614.87380966-
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME160815-C0413717.03395612-
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME160816-C0402016.99004545-
N2-Fructopyranosylarginine-ME160818--17.84033033-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate-ME160819--15.61479042-
N4-(Acetyl-beta-D-glucosaminyl)asparagineAspartylglycosamineME160820-C0454015.80489144-
N5-acetyl-N5-hydroxy-L-ornithine2,6-Diaminopimelic acidME160822-C0066611.656827-
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME160821-C0395517.7533639-
N6-Acetyl-L-lysineN6-AcetyllysineME160824-C0272713.68873789-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME160823-C0379321.20905255-
N-Acetyl-aspartyl-glutamateN-Acetyl-Asp-GluME160826-C1227016.63299829-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME160827-C0014012.31304241-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME160825--12.10095813-
N-AcetyllactosamineN-AcetyllactosamineME160828-C0061113.70000453-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME160829-C035194.806689183-
NAD+NAD+ME160830-C0000314.08665158-
NADP+NADP+ME160831-C0000616.72266362-
Narceinone-ME160832--17.3148827-
N-Carbamoyl-L-aspartateCarbamoylaspartateME160833-C0043816.56589802-
N-Carbamyl-L-glutamateCarglumic acidME160834-C0582915.30743334-
N-dimethylethanolamine-ME160835--16.53137679-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME160836-C0554520.77887512-
N-EthylmaleimideN-EthylmaleimideME160837-C0244112.27221276-
Neuraminic acidNeuraminic acidME160838-C0646916.71921213-
N-Formyl-L-methionineN-FormylmethionineME160839-C031458.151303175-
N-Glycosyl-L-asparagineN-Glycosyl-asparagineME160841-C0341114.44480631-
NG,NG-Dimethyl-L-arginineDimethylarginineME160840-C0362620.89419653-
N-hydroxy DAP-ME160842--11.98210562-
NicotinamideNiacinamideME160843-C001537.922515908-
Nicotinamide D-ribonucleotideNicotinamide ribotideME160844-C0045515.20524958-
Nicotinate D-ribonucleosideD-RibosylnicotinateME160845-C0584112.99397493-
N-(L-Arginino)succinateArgininosuccinic acidME160813-C0340616.70194375-
N-RibosylhistidineN-RibosylhistidineME160846--15.21277429-
O-beta-D-Glucopyranosyl-cis-zeatin-ME160847-C0342314.69894014-
O-ButanoylcarnitineCAR 4:0ME160848-C028628.816395532-
OleoylcarnitineCAR 18:1ME160849--4.57355979-
O-Palmitoyl-R-carnitineCAR 16:0ME160850-C029904.636254313-
O-Phospho-L-serinePhosphoserineME160851-C0100516.34023449-
OphthalmicacidOphthalmic acidME160852--13.25007725-
O-PropanoylcarnitineCAR 3:0ME160853-C030179.822486955-
p-aminobenzoyl glutamate4-Aminobenzoylglutamic acidME160854--14.18479166-
PantothenatePantothenic acidME160855-C008648.627027755-
[PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...LPC P-16:0 or LPC O-16:1ME160579-C042304.647638808-
[PC(18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3...LPC 18:2ME160580-C042307.90192587-
PC(30:0)PC 30:0ME160856--4.169617655-
PC(32:1)PC 32:1ME160857-C001574.110951707-
PC(34:1)PC 34:1ME160858--4.17057487-
PC(34:2)PC 34:2ME160859--5.121164932-
PC(36:4)PC 36:4ME160860--4.077123278-
PC(38:4)PC 38:4ME160861--4.07104626-
PC(38:5)PC 38:5ME160862--4.060399413-
PC(40:5)PC 40:5ME160863--4.05006093-
PC(40:6)PC 40:6ME160864--4.042299428-
P-DPD-ME160865--15.69551062-
PE(15:0/20:0)PE 15:0/20:0*ME160866--7.11993378-
PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))-ME160867-C003504.756775272-
PE(24:1(15Z)/15:0)PE 24:1(15Z)/15:0*ME160868--6.261272983-
PE(32:1)PE 32:1ME160869--7.077707542-
PE(34:3)PE 34:3ME160870--3.937671578-
PE(38:0)PE 38:0ME160871--4.251052788-
PE(38:1)PE 38:1ME160872--4.186600858-
PE(P-36:3)PE P-36:3ME160873--4.098775015-
PE(P-38:5)PE P-38:5ME160874-C003503.967354432-
PE(P-40:5)PE P-40:5ME160875--3.928285545-
Phe-AspPhe-AspME160876--10.98247914-
Phe-ThrPhe-ThrME160877--7.928303818-
PhosphinothricinPhosphinothricinME160878-C0465016.10016536-
PhosphonoacetaldehydePhosphonoacetaldehydeME160879-C0316714.85416443-
PI(34:0)PI 34:0ME160880--7.027804535-
PI(34:1)PI 34:1ME160881--7.096732338-
[PI(36:0)PI 36:0ME160581--7.200883295-
PiperidinePiperidineME160882-C0174614.75409218-
Polyoxyethylene dioleatePolyoxyethylene dioleateME160883--3.705044433-
Proclavaminic acidProclavaminic acidME160884-C0665812.55282692-
Procollagen 5-(D-galactosyloxy)-L-lysineGalactosylhydroxylysineME160885-C0554716.57018889-
PS(34:0)PS 34:0ME160886--3.690966653-
PS(36:2)PS 36:2ME160887--3.754385717-
PS(36:3)PS 36:3ME160888--3.740029563-
PS(52:0)PS 52:0ME160889--3.765577755-
psicoselysinePsicosyllysineME160890--20.6616103-
PyridoxalPyridoxalME160891-C002508.21433665-
Pyridoxamine phosphatePyridoxamine 5'-phosphateME160892-C0064715.2805198-
PyridoxinePyridoxineME160893-C003148.272566887-
RiboflavinRiboflavinME160894-C002558.7131663-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME160572-C0391215.69799068-
(S)-2-Acetolactate(S)-2-AcetolactateME160573-C0601013.18643938-
S-Adenosyl-L-methionineS-AdenosylmethionineME160895-C0001916.21042172-
(S)-AMPAAmpaME160574-C1367215.41440699-
S-Cysteinosuccinic acidS-Cysteinosuccinic acidME160896--17.10251012-
serinol phosphate-ME160897--16.36115546-
Ser-SerSer-SerME160898--13.02281302-
SlaframineSlaframineME160899-C0618510.45701831-
SM(d18:2/24:1)SM 18:2;O2/24:1ME160900--7.883470937-
SM(d33:1)SM 33:1;O2ME160901--7.881070982-
SM(d34:1)SM 34:1;O2ME160902--7.898664505-
SM(d36:2)SM 36:2;O2ME160903--4.351985182-
SM(d38:1)SM 38:1;O2ME160904-C005507.903386897-
SM(d38:2)SM 38:2;O2ME160905--7.902923198-
SM(d39:1)SM 39:1;O2ME160906--7.901021547-
SM(d40:2)SM 40:2;O2ME160907-C005504.299892617-
SM(d41:1)SM 41:1;O2ME160908--7.862121282-
SM(d41:2)SM 41:2;O2ME160909--7.8643727-
SM(d42:1)SM 42:1;O2ME160910-C005504.53489226-
SM(d42:2)SM 42:2;O2ME160911-C005506.73105136-
SM(d43:1)SM 43:1;O2ME160912--7.856899995-
SM(d43:2)SM 43:2;O2ME160913--7.888450007-
SM(d44:1)SM 44:1;O2ME160914-C005507.90844954-
SM(d44:2)SM 44:2;O2ME160915--7.895038583-
sn-glycero-3-Phospho-1-inositolsn-Glycero-3-phosphoinositolME160916-C0122515.96499732-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME160917-C0067014.39098637-
SphinganineSphinganineME160918-C008367.924127723-
(S,S)-Np-Histidinylalanine-ME160575--12.14750427-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene3-Deoxyvitamin D3ME160582--5.41503702-
StearoylcarnitineCAR 18:0ME160919--7.891406738-
TemurinTemurinME160920--9.673456907-
ThiaminThiamineME160921-C0037820.04323577-
Thiamin diphosphateThiamine diphosphateME160922-C0006814.64746424-
Thiamin monophosphateThiamine monophosphateME160923-C0108114.13554514-
Thr-Ala-ProThr-Ala-ProME160924-C1132915.13851853-
Thr-Trp-CysThr-Trp-CysME160925--15.38879213-
Trp-Trp-Tyr-Tyr-ME160926--10.47971609-
UDPUDPME160927-C0001516.21017379-
UrocanateUrocanic acidME160928-C0078510.30266493-
Val-Asp-HisVal-Asp-HisME160929--12.56968271-
ValganciclovirValganciclovirME160930--11.3352729-
VicineVicineME160931-C0843715.84007476-
VinylacetylglycineVinylacetylglycineME160932--12.07333742-
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole-ME160933--10.49336267-


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
1-18:2-2-18:2-monogalactosyldiacylglycerol-ME161020--4.125499002-
1-Deoxy-D-altro-heptulose 7-phosphate1-Deoxy-D-altro-heptulose 7-phosphateME161141-C0435914.73969195-
1-Sinapoyl-D-glucose1-O-Sinapoyl-beta-D-glucoseME161138-C0117513.80970415-
1-thio-beta-D-glucose-ME161147--8.354976078-
2-16:0-lysoPG-ME161149--3.957937342-
2,3-Bisphospho-D-glycerate2,3-Diphosphoglyceric acidME161071-C0115923.04413798-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate-ME161124--11.94959002-
2-C-Methyl-D-erythritol 4-phosphate-ME161101-C1143414.28226746-
2-Dehydro-3-deoxy-D-gluconateGluconolactoneME161044-C0019811.82359137-
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid2-Deoxy-2,3-dehydro-N-acetylneuraminic acidME161068-C0452112.22674482-
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestanME161076--7.894615813-
2-Oxoglutaramate2-Keto-glutaramic acidME161063-C0094010.31851349-
2-Oxoglutarate2-Oxoglutaric acidME160937-C0002615.33578012-
3-beta-D-Galactosyl-sn-glycerolGalactosylglycerolME161025-C0540113.63922946-
3-Cyano-L-alanineDihydrouracilME160952-C0042917.2008726-
3-OxopropanoateMalonic semialdehydeME161086-C0002214.28467435-
3-Phospho-D-glycerate3-Phosphoglyceric acidME161018-C0019716.92552588-
4-Amino-4-deoxychorismate4-Amino-4-deoxychorismic acidME161051-C1135512.72283564-
4-HydroxyphenylacetylglycineHydroxyphenylacetylglycineME161077-C055967.892346227-
4-Methyl-2-oxopentanoateKetoleucineME160995-C002334.70487762-
4-oxo-4-(3-pyridyl)-butanoate-ME161140--8.081468758-
5-Acetyl-2,4-dimethyloxazole5-Acetyl-2,4-dimethyloxazoleME161041--7.917932592-
5-L-Glutamylglycinegamma-GlutamylglycineME160993--16.16293736-
6-Phospho-D-gluconate6-Phosphogluconic acidME161083-C0034517.04480302-
7-Methyl-3-oxooctanoyl-CoA7-Methyl-3-oxooctanoyl-CoAME161069-C0368517.3152475-
Acetyl phosphateAcetylphosphateME160938-C0022715.37761377-
ADP-riboseADP-riboseME161055-C0030114.70239781-
Ala-Glu-Ala-Glu-ME160975--14.93431087-
Ala-Gly-TyrAla-Gly-TyrME161059--8.176662653-
Ala-Lys-Asp-Pro-ME160964--14.73786049-
Ala-SerAla-SerME160980--11.5776943-
Allogibberic acidAllogibberic acidME161003-C0906111.42136381-
AMCCN-Acetyl-S-(n-methylcarbamoyl)cysteineME161135-C114908.468576422-
ancymidolAncymidolME161023--4.667314648-
Arg-Cys-Cys-Tyr-ME161150--14.7614277-
Asn-Met-Thr-Asp-ME161128--10.90176778-
Asn-SerAsn-SerME160979-C0467313.49809647-
Asp-GlnAsp-GlnME161084--11.48875989-
Asp-Phe-Pro-Tyr-ME160958--14.96760371-
Asp-Ser-Tyr-Tyr-ME161094--14.84330927-
Asp-Trp-Asp-Gln-ME161008--13.9031256-
Benzyl sulfateBenzyl sulfateME161120-C066785.01066698-
BergaptolBergaptolME160960-C0075815.02283909-
BetaineBetaineME160982-C0018311.26558909-
CholateCholic acidME160983-C006954.686606468-
CholesterolsulfateCholesterol sulfateME161031--3.726472042-
cis-(homo)3aconitate-ME160963--12.55089089-
CitrateCitric acidME161081-C0015818.12249252-
CMPCMPME160946-C0005515.75500552-
CMP-2-aminoethylphosphonateCMPciliatineME161042-C0567315.21264704-
Cyclic 2,3-bisphospho-D-glycerate-ME161110-C0618919.99988878-
Cyclic ADP-riboseCyclic ADP-riboseME160996-C1305014.08828729-
Cys-Leu-Cys-Tyr-ME161007--8.627949053-
Cys-Lys-Ser-Ser-ME160957--11.64162158-
D-4'-Phosphopantothenate(R)-4'-Phosphopantothenic acidME161114-C0349215.08837955-
deacetylcolchicine-ME160947-C1671214.98152413-
D-ErythroseErythroseME161130-C0179610.58770541-
D-FructoseFructoseME161080-C0022116.92385178-
D-Gluconic acidGluconic acidME161038-C0025713.28445969-
D-GlucosamineGlucosamineME160981-C0032911.47984659-
D-Glucose 6-phosphateGlucose 6-phosphateME160984-C0009216.70848182-
D-GlucuronateGlucuronic acidME161048-C0019114.34620729-
D-GlycerateGlyceric acidME161107-C0025811.53914004-
Dide-O-methylsimmondsin-ME160943--13.89776389-
D-Mannitol 1-phosphateMannitol 1-phosphateME161024-C0064415.09394134-
D-Ribose 5-phosphateRibose 5-phosphateME161040-C0011715.26595059-
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME161085-C0538216.11698755-
D-SorbitolSorbitolME161021-C0079413.88479601-
D-XylonateXylonic acidME161104-C0050213.22999213-
D-XylonolactoneD-Xylono-1,5-lactoneME161016-C0226614.98659802-
FA(16:0)Palmitic acidME161088-C002493.939735815-
[FA (18:1)] 9Z-octadecenoic acidOleic acidME161109-C007123.9029311-
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acidalpha-Linolenic acidME161099-C064273.932445127-
FA (19:1)Nonadecenoic acidME161102--3.894629993-
FA (20:0)Arachidic acidME161012-C064253.866627365-
[FA (20:1)] 11Z-eicosenoic acidcis-Gondoic acidME161005-C165263.88288769-
FA (20:4)Arachidonic acidME161121-C002193.936056675-
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...DPAME161075-C165133.88165763-
FA hydroxy(10:0)-ME160944--7.887166432-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME161093-C0162012.09773959-
FumarateFumaric acidME161079-C0012215.74267794-
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME161058-C0373814.28871159-
Gln-Leu-Lys-Tyr-ME160949--16.72065352-
Gln-Met-Met-Thr-ME161119--14.83823947-
GlycerolGlycerolME160959-C0011610.37878511-
GlycochenodeoxycholateGlycochenodeoxycholic acidME161073-C054664.645715312-
Glycyl-SerineGly-SerME161115--14.3188142-
Gravacridonetriol glucoside-ME160950--14.27608662-
HEPES-ME161097--10.45931471-
Histidinyl-AsparagineHis-AsnME161046--12.6700395-
Hydantoin-5-propionateHydantoin-5-propionic acidME160940-C0556515.21687129-
HydroxymethylphosphonateHydroxymethylphosphonic acidME161011-C0645514.38501723-
Icosadienoic acid11Z,14Z-Eicosadienoic acidME161148-C165253.891145062-
Icosatrienoic acidETrE(11Z,14Z,17Z)ME161106-C165223.927070978-
Ile-His-ValIle-His-ValME161118--7.90907282-
Ile-ThrIle-ThrME160973--7.91437264-
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME161054-C0513012.1575691-
KinobscurinoneKinobscurinoneME161057-C1239111.95585671-
LacCer(d32:1)LacCer 32:1;O2ME160935--7.865127617-
L-AspartateAspartic acidME161049-C0004914.83784403-
L-beta-aspartyl-L-serine-ME161062--15.60361513-
L-CysteateCysteic acidME161129-C0050615.39743851-
L-CysteineCysteineME161143-C0009716.10185093-
L-prolyl-L-glycinePro-GlyME160941--12.35036363-
LysoPA(16:0)LPA 16:0ME161028-C004164.626395978-
LysoPA(18:0)LPA 18:0ME160945-C004164.569095405-
LysoPE(18:0)LPE 18:0ME161116-C042307.899079803-
LysoPE(18:2)LPE 18:2ME161144--7.898609092-
LysoPE(18:3)LPE 18:3ME161146--4.627867102-
LysoPE(20:4)LPE 20:4ME161072--4.56701611-
LysoPE(20:5)LPE 20:5ME161111--4.610253668-
LysoPE(22:5)LPE 22:5ME161105--4.48885685-
MaleamateMaleamateME161090-C0159616.25264522-
MelibiitolMelibiitolME161066-C0539915.53812099-
melibionate-ME161067--15.13532228-
Met-Met-AlaMet-Met-AlaME160990--14.58808907-
Met-Thr-AspMet-Thr-AspME161006--13.23459564-
Miroestrol-ME160999-C0536614.50190652-
N2-Succinyl-L-ornithineN2-SuccinylornithineME160992-C0341513.40425862-
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME161050-C0113312.31346473-
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME161017-C0035714.74545603-
N-Acetyl-D-mannosaminolactoneN-Acetyl-D-mannosaminolactoneME161113-C0111813.72683547-
N-Acetyl-L-citrullineN-AcetylcitrullineME160976-C1553212.06327394-
N-Acetyl-L-glutamateN-Acetylglutamic acidME161015-C0062413.98006933-
N-AcetylmethionineN-AcetylmethionineME161087-C027124.833328648-
N-Amidino-L-glutamatealpha-Guanidinoglutaric acidME161096-C0314014.61089508-
N-D-GlucosylarylamineN-D-GlucosylarylamineME161009-C031427.866302005-
nonulose 9-phosphateNonulose 9-phosphateME161022--16.71267885-
N-Succinyl-L-glutamateN2-SuccinylglutamateME161056-C0593113.95283335-
octulose 8-phosphateOctulose 8-phosphateME161125--16.39493334-
Orotate(Fragment)Orotic acidME161112-C0010610.04618195-
OrotidineOrotidineME160998--12.01640502-
OrthophosphatePhosphoric acidME160974-C0000919.18948758-
[PA(16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoyl...-ME161013-C004163.764778552-
PA(18:1(9Z)/0:0)PA 18:1(9Z)/0:0ME161036-C004164.625628732-
PA(34:2)PA 34:2ME161010--3.781757318-
PA(36:3)PA 36:3ME160991--3.76108563-
PA(36:4)PA 36:4ME160968--3.737178907-
PE(14:0/20:2(11Z,14Z))PE 14:0/20:2(11Z,14Z)*ME160970--4.831573208-
[PE(18:1/16:0)] 1-(9Z-octadecenoyl)-2-hexadecanoyl...-ME160989--5.46713188-
[PE(18:2/18:2)] 1,2-di-(9Z,12Z-octadecadienoyl)-sn...-ME160986--6.252543455-
PE(30:4)PE 30:4ME160985--7.906984827-
PE(31:4)PE 31:4ME160987--7.907219908-
PE(36:1)PE 36:1ME161065--6.836008968-
PE(36:3)PE 36:3ME161002--3.992322217-
PE(38:5)PE 38:5ME160951--3.940332825-
PE(P-38:4)PE P-38:4ME160948--4.164332758-
PE(P-40:4)PE P-40:4ME160969--4.027035047-
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME161132--3.91010516-
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phosp...-ME161145--3.931330872-
PG(33:1)PG 33:1ME161127--3.667958332-
PG(34:1)PG 34:1ME161139--3.704950507-
PG(34:2)PG 34:2ME161136--3.682570968-
PG(34:3)PG 34:3ME161142--3.660475912-
PG(36:1)PG 36:1ME161061--3.698908095-
PG(36:2)PG 36:2ME161122--3.68836868-
PG(36:3)PG 36:3ME161137--3.639327155-
PG(36:4)PG 36:4ME161131--3.643889872-
PG(36:5)PG 36:5ME161108--3.638880252-
PG(38:6)PG 38:6ME161095--3.633200628-
PG(40:5)PG 40:5ME161037--3.639846283-
PG(40:6)PG 40:6ME161064--3.633615485-
PG(54:0)PG 54:0ME160939--3.674832097-
PhaeantharinePhaeantharineME161126-C0960813.60625004-
PhenolsulfonphthaleinPhenolsulfonphthaleinME161052-C126007.893033047-
PhosphocreatinePhosphocreatineME160942-C0230515.09491565-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME160953-C1348215.05845832-
PhosphoenolpyruvatePhosphoenolpyruvic acidME161043-C0007417.42132183-
Phosphoramidate-ME160977-C0230627.40059698-
[PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'...-ME161053--4.403589787-
[PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'...-ME160966--7.901131448-
[PI(18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-ei...-ME161019--7.033408102-
PI(34:2)PI 34:2ME161039--3.758848472-
PI(36:1)PI 36:1ME161004--3.783334493-
PI(36:2)PI 36:2ME161047--3.775141217-
PI(36:3)PI 36:3ME161078--3.768206563-
PI(36:4)PI 36:4ME161026--3.762728782-
PI(38:5)PI 38:5ME161001--3.75630073-
PI(40:5)PI 40:5ME160988--3.741084675-
PIP(36:1)PI P-36:1ME161082-C006267.932867615-
PS(18:0)PS 18:0ME161092--4.24925663-
PS(18:0/18:1(9Z))PS 18:0/18:1(9Z)ME161029--7.399503635-
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...-ME161032--4.270700555-
[PS(20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-g...LPS 20:4ME160971--4.24658332-
PS(34:1)PS 34:1ME160955--3.771972725-
PS(34:2)PS 34:2ME160965--3.781841375-
PS(36:4)PS 36:4ME160997--3.757361102-
PS(38:4)PS 38:4ME160961--3.758414923-
PS(38:5)PS 38:5ME160954--7.19915252-
PS(38:6)PS 38:6ME160956--3.736561115-
PS(40:5)PS 40:5ME160962--3.742395487-
PsychosinePsychosineME161033-C017474.635026752-
Pyridoxine phosphatePyridoxine 5'-phosphateME160967-C0062713.74249064-
RaffinoseRaffinoseME160934-C0183516.92705547-
(R,R)-Tartaric acidTartaric acidME161000-C0089817.34662937-
Sambutoxin-ME161134--7.900000493-
SanguinarineSanguinarineME161070-C0616212.81399199-
(S)-ATPA(S)-ATPAME160972-C1373311.19047314-
(S)-Dihydroorotate4,5-Dihydroorotic acidME161123-C0033710.85798594-
Ser-Ser-SerSer-Ser-SerME161074--14.92033418-
SinalbinSinalbinME161091-C0842614.65015368-
(S)-LactateLactic acidME161098-C001869.360985022-
(S)-MalateMalic acidME161100-C0014915.90230651-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME161027-C0123315.53382821-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME160994-C0009314.82470693-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineCer 18:1;O2/16:0ME161045-C001954.168534852-
[SP] Sphing-4-enine-1-phosphateSphingosine 1-phosphateME160978-C061247.924531692-
SuccinyladenosineSuccinyladenosineME161117--14.39599578-
Sucrose monopalmitate-ME160936--15.41810034-
Sulfate-ME161089-C0005917.74427365-
SulfoacetaldehydeSulfoacetaldehydeME161133-C0059310.96913191-
TaurineTaurineME161035-C0024514.72495747-
UDP-glucoseUDP-glucoseME161034-C0002916.19710795-
UDP-glucuronateUDP-glucuronic acidME161103-C0016718.86518683-
UDP-N-acetyl-D-galactosamineUDP-N-acetylgalactosamineME161014-C0020315.02476517-
Val-ProVal-ProME161060-C019098.776439638-
(Z)-4-Hydroxyphenylacetaldehyde-oxime-ME161030--4.805824622-


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