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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
5-6-DihydrouracilDihydrouracilME402523-C004290.6762049-
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME402527-C056350.7137606-
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME402510-C052830.6559027-
5'-Phosphoribosyl-N-formylglycinamideFGARME402501-C043760.691133-
acetyl-carnitine (acyl-C2)CAR 2:0ME402533-C025710.6777237-
acyl-C18:2 (Linoleoyl-CoA)Linoleoyl-CoAME402540-HMDB010642.029301-
Adenylosuccinic acidAdenylsuccinic acidME402503-C037940.6821898-
AMPAMPME402491-C000200.6726601-
ATPATPME402490-C000020.7575678-
butanoyl-l-carnitine (acyl-C4)CAR 4:0ME402535-C028620.6786808-
CholineCholineME402531-C001140.6660002-
CreatineCreatineME402521-C003000.65541-
CreatinineCreatinineME402522-C007910.6490426-
Cys-GlyCys-GlyME402509-C014190.6782131-
CystathionineCystathionineME402512-C005420.641854-
D-4--Phosphopantothenate(R)-4'-Phosphopantothenic acidME402524-C034920.6651585-
dAMPdAMPME402492-C003600.6958891-
DimethylglycineDimethylglycineME402513-C010260.6613175-
GDPGDPME402493-C000350.6207583-
GlutathioneGlutathioneME402507-C000510.67784-
Glutathione disulfideOxidized glutathioneME402508-C001270.6781725-
glycineGlycineME402478-C000370.644645-
GMPGMPME402494-C001440.6581243-
GuanineGuanineME402495-C002421.214629-
Hexadecenoyl-carnitine (acyl-C16:1)CAR 16:1ME402538-HMDB063172.010351-
hexanoyl-L-carnitine (acyl-C6)CAR 6:0ME402536-HMDB007561.770188-
HypotaurineHypotaurineME402526-C005190.6532136-
IMPIMPME402497-C001300.6598513-
IndoleIndoleME402528-C004631.72847-
Indole-3-acetateIndoleacetic acidME402529-C009541.726332-
L-alanineAlanineME402471-C000410.6487375-
L-arginineArginineME402472-C000620.6238049-
L-asparagineAsparagineME402473-C001520.6569-
L-aspartateAspartic acidME402474-C000490.6527199-
L-CarnitineCarnitineME402532-C003180.652765-
L-CitrullineCitrullineME402517-C003270.6514632-
L-cysteineCysteineME402475-C000970.6616744-
L-glutamateGlutamic acidME402476-C000250.6512074-
L-glutamineGlutamineME402477-C000640.6524274-
L-histidineHistidineME402479-C001350.595175-
L-HomocysteineHomocysteineME402511-C001550.6758068-
L-leucine/isoleucineLeucine/IsoleucineME402480-C001230.6804075-
L-lysineLysineME402481-C000470.59813-
L-methionineMethionineME402482-C000730.6771668-
L-phenylalaninePhenylalanineME402483-C000790.6771901-
L-prolineProlineME402484-C001480.66444-
L-serineSerineME402485-C000650.6435924-
L-threonineThreonineME402486-C001880.6580949-
L-tryptophanTryptophanME402487-C000781.721723-
L-tyrosineTyrosineME402488-C000820.67885-
L-valineValineME402489-C001830.6588225-
NAD+NAD+ME402505-C000030.6627129-
NADHNADHME402506-C000040.7354685-
NADPHNADPHME402504-C000051.165878-
NicotinamideNiacinamideME402502-C001530.6759975-
O-octadecenoyl-L-carnitine (acyl-C18:1)CAR 18:1ME402539-HMDB063512.088172-
OrnithineOrnithineME402516-C016020.6010924-
O-tetradecanoyl-L-carnitine (acyl-C14)CAR 14:0ME402537-HMDB050661.999754-
PhosphoserinePhosphoserineME402514-C025320.6469325-
propionyl-carnitine (acyl-C3)CAR 3:0ME402534-C030170.6789312-
PutrescinePutrescineME402518-C001340.5888-
quinolinic acidQuinolinic acidME402530-C037220.6680105-
S-Adenosyl-L-methionineS-AdenosylmethionineME402515-C000190.600277-
(S)(+)-AllantoinAllantoinME402499-C023500.6661596-
SpermidineSpermidineME402519-C003150.6001925-
SpermineSpermineME402520-C007500.6069204-
TaurineTaurineME402525-C002450.6552325-
UracilUracilME402496-C001060.680365-
UrateUric acidME402500-C003660.6772898-
XanthineXanthineME402498-C003850.6771919-


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
13(S)-HODE13S-HODEME402627-C147622.227839-
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME402564-C006311.735109-
2-Deoxy-alpha-D-glucoside-ME402636----
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME402576-C026300.6695288-
2-Methyleneglutarate-ME402632----
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME402649----
2-Oxoglutaramate2-Keto-glutaramic acidME402572-C009400.6138319-
2-Oxoglutarate2-Oxoglutaric acidME402571-C000260.672705-
3-Oxalomalate3-Oxalomalic acidME402635----
5-6-DihydrothymineDihydrothymineME402557-C009060.648505-
5-Hydroxyisourate5-Hydroxyisouric acidME402556-C118210.6398596-
5-OxoprolinePyroglutamic acidME402580-C018790.64991-
9-Oxononanoic acid9-Oxo-nonanoic acidME402646----
AcetylcholineAcetylcholineME402599-C019960.6640199-
AdenineAdenineME402543-C001470.6750599-
AdenosineAdenosineME402542-C002120.67937-
ADPADPME402541-C000080.67181-
Adrenic acid (7,10,13,16-Docosatetraenoic acid)Adrenic acidME402620-C165272.968593-
a-Linolenic acid (Octadecatrienoic acid)Octadecatrienoic acidME402616-C064272.567058-
alpha-D-Ribose 1-phosphateRibose 1-phosphateME402579-C006200.6364051-
Arachidonic acid (Eicosatetraenoic acid)Eicosatetraenoic acidME402617-C002192.675434-
ArgininosuccinateArgininosuccinic acidME402586-C034060.6448406-
AscorbateVitamin CME402582-C000720.66831-
CarnosineCarnosineME402590-C003860.6135757-
CatechinCatechinME402641----
CDPCDPME402546-C001120.6030908-
CDP-cholineCDP-cholineME402600-C003070.6459703-
Cholesterol sulfateCholesterol sulfateME402631-C180432.623917-
CitrateCitric acidME402570-C001580.6785351-
CMPCMPME402547-C000550.6803118-
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME402589-C001280.6128405-
CTPCTPME402545-C00063--
CytidineCytidineME402548-C004750.6416436-
D-ArabitolArabitolME402569-C019040.66036-
Decanoic acid (capric acid)Capric acidME402607-C015711.963073-
DehydroascorbateL-Dehydroascorbic acidME402583-C054220.6714271-
D-Erythrose 4-phosphateErythrose 4-phosphateME402577-C002790.6378711-
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME402562-C003540.6129044-
D-glucono-1,5-lactoneGluconolactoneME402640----
D-GlucoseGlucoseME402560-C000310.6673-
D-Glucose 6-phosphateGlucose 6-phosphateME402561-C029650.6244945-
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME402563-C001180.628085-
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatri...Dihomo-gamma-linolenic acidME402622-C032422.86611-
DiphosphatePyrophosphateME402559-C000130.6300375-
Docosahexaenoic acidDocosahexaenoic acidME402619-C064292.569912-
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa...DPAME402623-C165132.696104-
Dodecanoic acid (lauric acid)Lauric acidME402608-C026792.400162-
D-Ribose 5-diphosphateD-Ribose 5-diphosphateME402644----
Eicosapentaenoic acidEicosapentaenoic acidME402621-C064282.483914-
Ethanolamine phosphatePhosphoethanolamineME402597-C003460.663135-
FumarateFumaric acidME402574-C001220.6705475-
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME402584-C006690.6771369-
Glucosinolate-ME402643----
Glycerol 3-phosphatesn-Glycero-3-phosphateME402596-C000930.6299675-
GlycochenodeoxycholateGlycochenodeoxycholic acidME402625-C054662.013092-
GuanosineGuanosineME402544-C003870.6756378-
Heptanoic acidHeptylic acidME402604-C177141.23364-
Hexadecanoic acid (palmitic acid)Palmitic acidME402610-C002493.083581-
Hexadecenoic acid (Palmitoleic acid)Palmitoleic acidME402613-C083622.723397-
Hexanoic acid (caproate)Caproic acidME402603-C015851.231544-
HypoxanthineHypoxanthineME402555-C002620.6787575-
InosineInosineME402554-C002940.678325-
LactateLactic acidME402566-C014320.6785876-
LeucocyanidinLeucocyanidinME402633----
Leukotriene A4LTA4ME402630-C009091.985211-
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)Linoleic acidME402615-C015952.785384-
L-NoradrenalineNorepinephrineME402647----
MalateMalic acidME402575-C001490.661405-
MaltoseMaltoseME402567-C002080.6615025-
MannitolMannitolME402568-C003920.6623849-
MethylenediureaMethylenediureaME402634----
N6-Methyl-L-lysineN(6)-MethyllysineME402638----
N-AcetylmethionineN-AcetylmethionineME402648----
N-AcetylneuraminateN-Acetylneuraminic acidME402587-C002700.6623605-
N-Acyl-D-mannosaminolactone-ME402637----
Nonanoic acid (pelargonic acid)Pelargonic acidME402606-C016012.418412-
N-Succinyl-L-citrullineN(2)-Succinyl-citrullineME402592----
Octadecanoic acid (stearic acid)Stearic acidME402611-C015303.690377-
Octadecenoic acid (Oleic acid)Oleic acidME402614-C007123.131838-
Octanoic acid (caprylic acid)Caprylic acidME402605-C064232.066512-
PantothenolPantothenolME402594-C008640.684045-
Pentanoate (valerate)Valeric acidME402602-C008031.73687-
PhosphocreatinePhosphocreatineME402591-C023050.662325-
Prostaglandin A2PGA2ME402628-C059531.728156-
Prostaglandin D2/Thromboxane A2 (isobars)-ME402629-C006962.25828-
PyruvatePyruvic acidME402565-C000220.6584475-
RiboflavinRiboflavinME402642----
S-Acylglutathione-ME402645----
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME402585-C000210.674227-
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME402578-C062220.6260999-
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME402581-C055260.6503704-
Shikimate 3-phosphate3-Phosphoshikimic acidME402639----
Sphinganine 1-phosphateSphinganine 1-phosphateME402601-C011201.804202-
SphingosineSphingosineME402598-C003192.00264-
Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraeno...Stearidonic acidME402618-C163002.408585-
SuccinateSuccinic acidME402573-C000420.6801701-
Taurodeoxycholate/taurochenodeoxycholate/taurourso...Taurodeoxycholic acidME402626-C054631.887603-
Tetradecanoic acid (myristic acid)Myristic acidME402609-C064242.674048-
Tetradecenoic acid (myristoleic acid)Myristoleic acidME402612-C083222.489214-
ThiocysteineThiocysteineME402595-C019620.9480731-
ThymidineThymidineME402549-C002140.6752188-
ThymineThymineME402550-C001780.6544333-
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME402593-C011570.6545975-
UDPUDPME402552-C000150.6141199-
UDP-glucoseUDP-glucoseME402558-C000290.603427-
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME402588-C000430.6056216-
UMPUMPME402553-C001050.6546757-
Undecanoic acidUndecylic acidME402624-C177152.254826-
UTPUTPME402551-C000750.7489136-


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