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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
13,14-Dihydro-15-keto Prostaglandin A213,14-Dihydro-15-keto-PGA2ME399991--1.759-
1,5-Anhydro-D-glucitol1,5-AnhydrosorbitolME399989--6.387-
16-Hydroxyhexadecanoic acidJuniperic acidME399992--1.277-
1,7-Dimethyluric acid1,7-Dimethyluric acidME39999091611-2.887-
1-Methylnicotinamide1-Methyl nicotinamideME399993457C0291812.821-
1-Nitrosopiperidine (NPIP)-ME399994--12.512Reference-3370
(1'S,2'S)-3',11'-dihydroxy-1',2',5'-trimethyl-8'-o...-ME399987--4.467Autoprocessed-1750
2,2-Dimethylsuccinic acid2,2-Dimethylsuccinic acidME39999511701-3.128-
2,4-Dihydroxybenzoic acid-ME3999961491-1.563Reference-156
2-Furoylglycine2-FuroylglycineME39999721863-2.769-
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME39999899823-2.561-
2-Hydroxy-3-methylbutyric acid_22-Hydroxy-3-methylbutyric acidME399999--1.791-
2-Hydroxycinnamic acidtrans-o-Coumaric acidME400000637540C017727.628Reference-168
(2R)-2,3-Dihydroxypropanoic acidGlyceric acidME399988--9.785-
3-Furoic acid3-Furoic acidME40000110268-10.998-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME40000286C006322.763-
3-Hydroxybutyric acid3-Hydroxybutyric acidME400003441C010893.26-
3-Indoxyl sulphateIndoxyl sulfateME400004--2.771-
3-Methoxyphenylacetic acid-ME40000515719-2.861Reference-207
3-Methylcrotonylglycine3-MethylcrotonylglycineME400006169485-6.73-
3-Methylhistidine3-MethylhistidineME40000764969C011527.347-
3-methylphenylacetic acid3-Methylphenylacetic acidME40000812121-1.731-
3-Phosphoglyceric acid3-Phosphoglyceric acidME400009724C0059710.58-
3-Pyridinol3-HydroxypyridineME400010--2.76-
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME400011126C006337.639-
4-Hydroxybutyric acid (GHB)-ME400012--1.798Reference-1486
4-Hydroxyindole4-HydroxyindoleME400013--2.768-
4-Hydroxyprolinecis-4-HydroxyprolineME4000145810C011578.473-
4-MethylphenolP-CresolME400015--1.527-
4-Pyridoxic acid4-Pyridoxic acidME4000166723C008471.629-
5,5-Dimethylhydantoin-ME400017--8.741Reference-2985
5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-...-ME400018--7.116Autoprocessed-2401
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME400019--6.097-
6-Methylquinoline6-MethylquinolineME4000207059-6.772-
7-Methylguanine7-MethylguanineME40002111361C022424.478-
7-Methylxanthine7-MethylxanthineME40002268374C163533.16-
8,11,14-Eicosatrienoic acidDihomo-gamma-linolenic acidME4000235280581C032421.254-
8-HydroxyquinolineQuinolin-8-olME400024--6.771-
9-Methyluric acid9-Methyluric acidME400025108714-5.069-
9-Oxo-10(E),12(E)-octadecadienoic acid-ME400026--1.254Reference-5838
AcetophenoneAcetophenoneME4000277410C071137.635-
Acrylic acidAcrylic acidME4000286581C005118.525-
AdenosineAdenosineME40002960961C002123.82-
Adenosine monophosphateAMPME4000306083C000208.555-
Adenosine triphosphateATPME4000315957C0000210.223-
ADPADPME4000326022C000089.567-
Adrenic acidAdrenic acidME4000335497181C165271.244-
AllantoinAllantoinME400034204C015517.793-
Alpha-Linolenic acidalpha-Linolenic acidME4000355280934C064271.183-
Aminoadipic acidAminoadipic acidME400036469C009569.14-
Arachidic AcidArachidic acidME40003710467C064251.303-
Arachidonic acidArachidonic acidME400038444899C002191.258-
Argininosuccinic acidArgininosuccinic acidME40003916950C0340610.229-
Ascorbic acidVitamin CME40004054670067C000729.179-
Benzoic acidBenzoic acidME400041243C001801.77-
BetaineBetaineME400042247C007195.863-
BilirubinBilirubinME4000435280352C004861.49-
CaffeineCaffeineME4000442519C074811.971-
Capric acidCapric acidME4000452969C015711.36-
CholineCholineME400046305C0011411.116-
cis-Aconitic acidcis-Aconitic acidME400047643757C0041710.767-
Citraconic AcidCitraconic acidME400048643798C022263.039-
CitralCitralME400049--1.206-
Citric acidCitric acidME400050311C0015810.997-
CitrullineCitrullineME4000519750C003279.387-
CotinineCotinineME400052408-1.772-
CoumarinCoumarinME400053323C058517.636-
CreatineCreatineME400054586C003008.618-
CreatinineCreatinineME400055588C007914.149-
Crotonic acidCrotonic acidME400056--8.523-
D-2-Hydroxyglutaric acidD-2-Hydroxyglutaric acidME400059439391C010879.457-
DecanoylcarnitineCAR 10:0ME40006010245190-1.786-
Deoxycholic acidDeoxycholic acidME400061222528C044831.592-
D-Erythro-sphingosine 1-phosphateSphingosine 1-phosphateME400062--2.8-
D-FructoseFructoseME400063439709C023367.363-
D-GlucoseGlucoseME4000645793C000318.509-
Diaminopimelic acidDiaminopimelic acidME400065439283C006668.346-
DimethylglycineDimethylglycineME400066673C010266.717-
DL-3-Aminoisobutyric acid3-Aminoisobutanoic acidME400067--7.86-
DL-4-Hydroxyphenyllactic acidHydroxyphenyllactic acidME400068--3.703-
DL-StachydrineStachydrineME400069--5.161Reference-837
DL-α-Aminocaprylic acid-ME400070--3.683Reference-1794
D-(-)-MannitolMannitolME400057--7.943-
D-MannoseMannoseME40007118950C001598.057-
Docosahexaenoic AcidDocosahexaenoic acidME400072445580C064291.249-
Docosapentaenoic AcidDocosapentaenoic acidME400073--1.25-
Dodecanedioic acidDodecanedioic acidME40007412736C026782.849-
Dodecanoic acidLauric acidME4000753893C026791.319-
D-(-)-Quinic acidQuinic acidME400058--7.27-
D-Ribono-1,4-lactone-ME400076--8.985Reference-371
D-Ribose 5-phosphateRibose 5-phosphateME400077439167C001179.345-
D-Saccharic acidGlucaric acidME400078--10.366-
D-δ-Tocopherol-ME400079--1.202Reference-1212
EcgonineEcgonineME400080443003C108586.039-
Eicosapentaenoic AcidEicosapentaenoic acidME400081446284C064281.268-
Ethylmalonic acidEthylmalonic acidME40008211756-2.796-
Gamma-Aminobutyric acidgamma-Aminobutyric acidME400083119C003348.842-
Gluconic acidGluconic acidME40008410690C002578.251-
Glycerol 3-phosphatesn-Glycero-3-phosphateME400085439162C000939.255-
Glycerophospho-N-palmitoyl ethanolamineGlycerophospho-N-palmitoyl ethanolamineME400086--1.653Reference-2955
GlycineGlycineME400087750C000379.218-
Glycocholic acidGlycocholic acidME40008823617285C019212.754-
Glycolic acidGlycolic acidME400089757C001602.145-
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME40009012310288-1.56-
GlycylprolineGly-ProME40009179101-3.066-
Glyoxylic acidGlyoxylic acidME400092760C000488.53-
GuvacolineGuvacolineME400093--2.962Reference-6135
Heavy Arginine-ME400094--13.824-
Heavy Aspartic Acid-ME400095--9.144-
Heavy Cystine-ME400096--9.503-
Heavy Glutamate-ME400097--8.902-
Heavy Histidine-ME400098--8.521-
Heavy Lysine-ME400099--13.361-
Heavy Methionine-ME400100--6.44-
Heavy N-Acetylaspartic acid-ME400101--9.114-
Heavy Oxoglutaric acid-ME400102--9.594-
Heavy Phenylalanine-ME400103--5.107-
Heavy Proline-ME400104--7.24-
Heavy Serine-ME400105--9.218-
Heavy Taurine-ME400106--8.449-
Heavy Threonine-ME400107--8.285-
Heavy Tyrosine-ME400108--7.638-
Heavy Tyrosine_2-ME400109--7.622-
Heavy Valine-ME400110--6.994-
Heavy Xanthine-ME400111--6.223-
HexadecanamidePalmitamideME400112--1.476-
HexanoylcarnitineCAR 6:0ME4001136426853-2.874-
Hippuric acidHippuric acidME400114464C015862.731-
Hydroxyisocaproic acidHydroxyisocaproic acidME40011583697-1.746-
HypoxanthineHypoxanthineME400116790C002624.974-
Imidazolelactic acidImidazolelactic acidME400117459122C051325.788-
Indole-3-acetic acidIndoleacetic acidME400118--3.46-
Indole-3-lactic acidIndole-3-lactic acidME400119--2.905-
Indole-3-pyruvic acidIndolepyruvateME400120--2.768-
InosineInosineME4001216021C002946.173-
IsoquinolineIsoquinolineME4001228405C063236.798-
Jasmonecis-JasmoneME400123--1.203-
L-AcetylcarnitineCAR 2:0ME4001241C025715.846-
L-AlanineAlanineME4001255950C000418.603-
L-ArginineArginineME4001266322C0006213.785-
L-Ascorbic acid 2-sulfate-ME400127--12.792Reference-1310
L-AsparagineAsparagineME4001286267C001528.983-
L-Aspartic acidAspartic acidME4001295960C000499.162-
L-CarnitineCarnitineME4001302724480C003187.541-
L-Cysteine-S-sulfateCysteine-S-sulfateME400131--9.807-
L-CystineCystineME40013267678C004919.487-
L-ErgothioneineErgothioneineME400133--8.567-
L-Glutamic acidGlutamic acidME40013433032C000258.922-
L-GlutamineGlutamineME4001355961C000648.867-
L-HistidineHistidineME4001366274C001358.514-
Linoleic AcidLinoleic acidME4001375280450C015951.445-
L-IsoleucineIsoleucineME4001386306C004076.212-
L-KynurenineKynurenineME400139161166C003286.103-
L-Lactic acidLactic acidME400140107689C001863.54-
L-LeucineLeucineME4001416106C001235.858-
L-LysineLysineME4001425962C0004713.329-
L-MethionineMethionineME4001436137C000736.425-
L-PhenylalaninePhenylalanineME4001446140C000795.076-
L-ProlineProlineME400145145742C001487.234-
L-SerineSerineME4001465951C000659.216-
L-ThreonineThreonineME4001476288C001888.274-
L-TryptophanTryptophanME4001486305C000786.772-
L-TyrosineTyrosineME4001496057C000827.631-
L-ValineValineME4001506287C001837.032-
Malic acidMalic acidME400151525C007119.907-
Malonic acidMalonic acidME400152867C003838.433-
Methionine sulfoxideMethionine sulfoxideME400153847-7.696-
MethylcysteineMethylcysteineME40015524417-6.466-
Methylimidazoleacetic acidMethylimidazoleacetic acidME40015675810C058283.896-
Methyl indole-3-acetateIndole-3-methyl acetateME400154--2.776-
Myo-inositolMyo-inositolME400157-C001379.907-
Myristic AcidMyristic acidME40015811005C064241.291-
N-(2-hydroxyphenyl)acetamide-ME400159--6.84Autoprocessed-2388
N2-Methylguanosine2-MethylguanosineME400160--1.652-
N6-Acetyl-L-lysineN6-AcetyllysineME40016292832C027277.474-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME400161440120C0379312.012-
N-Acetylglutamic acidN-Acetylglutamic acidME400163185C006248.77-
N-Acetyl-L-alanineN-AcetylalanineME40016488064-3.057-
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME40016565065C010429.116-
N-AcetylornithineN-AcetylornithineME400166439232C004377.873-
N-BenzylformamideN-benzylformamideME400167--7.631-
Nicotinamide 1-oxide-ME400168--3.727Reference-912
N-Phenylacetylglutamine-ME400169--1.797Reference-541
OleamideOleamideME4001705283387C196701.462-
Oleic AcidOleic acidME400171445639C007121.257-
Oleoyl-L-α-lysophosphatidic acid-ME400172--1.677Reference-1474
OrnithineOrnithineME4001736262C0007712.504-
Orotic acidOrotic acidME400174967C002954.453-
OxoamideOxoamideME400175436-1.8-
Oxoglutaric acid2-Oxoglutaric acidME40017651C000269.589-
Palmitic AcidPalmitic acidME400177985C002491.275-
Palmitoyl sphingomyelinSM 18:1;O2/16:0ME400178--1.422-
Pantothenic acidPantothenic acidME400179988C008643.175-
ParaxanthineParaxanthineME4001804687C137475.272-
Pentadecanoic acidPentadecylic acidME40018113849C165371.281-
PhenolPhenolME400182996C001461.725-
Pipecolic acidPipecolic acidME400183849C004087.012-
PiperinePiperineME400184638024C038821.566-
PropionylcarnitineCAR 3:0ME400185107738C030174.513-
PseudoephedrinePseudoephedrineME4001867028C027658.071-
PseudouridinePseudouridineME40018715047C020676.847-
PyridoxinePyridoxineME4001881054C003142.737-
Pyroglutamic acidPyroglutamic acidME4001897405C018794.611-
Pyruvic acidPyruvic acidME4001901060C000222.819-
Quinolinic acidQuinolinic acidME4001911066C037229.36-
Salicylic acidSalicylic acidME400192338C008051.725-
SarcosineSarcosineME4001931088C002138.117-
Shikimic acidShikimic acidME4001948742C004938.129-
Skatole3-MethylindoleME400195--6.772-
Sorbic acidSorbic acidME400196--1.78-
Stearic AcidStearic acidME4001975281C015301.366-
Stearidonic AcidStearidonic acidME4001985312508C163001.216-
Succinic acidSuccinic acidME4001991110C000429.35-
Symmetric dimethylarginineSymmetric dimethylarginineME400200169148-11.714-
TaurineTaurineME4002011123C002458.431-
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME400202--1.419-
Tenofovir-ME400203464205-6.588Reference-3455
Testosterone sulfateTestosterone sulfateME400204119207-1.255-
trans-Cinnamic acidtrans-Cinnamic acidME400205444539C004235.062-
TrigonellineTrigonellineME4002065570C010046.376-
Trimethylamine N-oxideTrimethylamine N-oxideME4002071145C011045.193-
Uric acidUric acidME4002081175C003667.471-
UridineUridineME4002096029C002994.701-
VanillinVanillinME4002101183C007551.786-
XanthineXanthineME4002111188C003856.229-
β-D-Glucopyranuronic acidGlucuronic acidME400212--8.419-


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