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Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-4-beta-D-Xylan-ME934585-C023520.59131.0342
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME934558-C006310.65184.9847
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME934571-C026300.59147.0292
2-Oxoglutaramate2-Keto-glutaramic acidME934567-C009400.60144.0289
2-Oxoglutarate2-Oxoglutaric acidME934566-C000260.60145.0131
2-Oxoglutarate 13C52-Oxoglutaric acidME934622-C000260.5951046150.0297
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME934580-C032320.68182.9669
3-Sulfino-L-alanine3-Sulfino-alanineME934592-C006060.62152.0014
4-Pyridoxate4-Pyridoxic acidME934551-C008470.64182.0428
5-L-Glutamyl-taurine5-L-Glutamyl-taurineME934579-C058440.59253.0496
Adenine 13C5AdenineME934632-C000470.6487604139.0628
Adenosine 13C5AdenosineME934631-C002120.6272187271.1049
ADPADPME934544-C000080.71426.0220
ADP 13C10ADPME934629-C000080.7278184436.0555
ADP-D-riboseADP-riboseME934553-C018820.60558.0637
a-Linolenic acid (Octadecatrienoic acid)alpha-Linolenic acidME934612-C064272.48277.2172
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME934583-C061560.58258.0381
alpha-D-Ribose 1-phosphateRibose 1-phosphateME934575-C006200.59229.0114
AMP 13C10AMPME934630-C000200.6101578356.089
Arachidonic acid (Eicosatetraenoic acid)Arachidonic acidME934613-C002192.59303.2328
AscorbateVitamin CME934576-C000720.62175.0247
beta-L-Arabinose 1-phosphate-ME934588-C039060.58229.0114
CitrateCitric acidME934565-C001580.67191.0187
Citrate 13C1Citric acidME934618-C001580.6631375192.0228
Citrate 13C2Citric acidME934619-C001580.6870168193.025
Citrate 13C3Citric acidME934620-C001580.6464354194.031
Citrate 13C4Citric acidME934621-C001580.6651838195.0316
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME934587-C001280.56613.1399
D-ArabitolArabitolME934564-C019040.61151.0612
DehydroascorbateDehydroascorbic acidME934577-C054220.63173.0076
D-Erythrose 4-phosphateErythrose 4-phosphateME934573-C002790.59199.0007
D-Glucono-1-5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME934572-C012360.59257.0070
D-GlucoseGlucoseME934556-C000310.63179.0554
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME934557-C001180.62168.9887
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatri...Dihomo-gamma-linolenic acidME934616-C032422.77305.2487
DiphosphatePyrophosphateME934555-C000130.59176.9349
Docosahexaenoic acidDocosahexaenoic acidME934614-C064292.49327.2330
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa...DPAME934617-C165132.61329.2488
Dodecanoic acid (lauric acid)Lauric acidME934604-C026792.34199.1696
D-RiboseRiboseME934563-C001210.60149.0456
Eicosapentaenoic acidEicosapentaenoic acidME934615-C064282.41301.2173
Ethanolamine phosphatePhosphoethanolamineME934596-C003460.60140.0107
Fructose bisphosphate 13C6Fructose 1,6-bisphosphateME934633-C003540.6415796345.0125
FumarateFumaric acidME934569-C001220.61115.0023
Fumarate 13C4Fumaric acidME934627-C001220.611162119.016
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME934578-C006690.60249.0548
Glutathione 13C10GlutathioneME934637-C000510.6185545316.1161
Glycerol 3-phosphatesn-Glycero-3-phosphateME934595-C000930.59171.0054
Heptanoic acidHeptylic acidME934601-C177141.93129.0908
Hexadecanoic acid (palmitic acid)Palmitic acidME934606-C002492.97255.2326
Hexadecenoic acid (Palmitoleic acid)Palmitoleic acidME934609-C083622.64253.2170
Hexanoic acid (caproate)Caproic acidME934600-C015850.65115.0751
IMPIMPME934548-C001300.60347.0396
Itaconate 13C3Itaconic acidME934623-C004900.58915132.0289
Itaconate 13C4Itaconic acidME934624-C004900.5835452133.032
Itaconate 13C5Itaconic acidME934625-C004900.5931454134.0349
LactateLactic acidME934560-C014320.6089.0229
L-ArabinoseLyxoseME934584-C002590.60149.0455
L-CysteateCysteic acidME934594-C005060.66167.9961
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)Linoleic acidME934611-C015952.69279.2328
L-SelenomethionineSelenomethionineME934593-C053350.65195.9913
MalateMalic acidME934570-C001490.61133.0128
Malate 13C4Malic acidME934628-C001490.6047935137.0263
MaltoseMaltoseME934561-C002080.66341.1089
MannitolMannitolME934562-C003920.64181.0709
N-AcetylneuraminateN-Acetylneuraminic acidME934581-C002700.59308.0985
N-Glycoloyl-neuraminateN-Glycolylneuraminic acidME934582-C034100.59324.0935
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME934597-C012100.60154.0262
Nonanoic acid (pelargonic acid)Pelargonic acidME934603-C016012.09157.1222
Octadecanoic acid (stearic acid)Stearic acidME934607-C015303.55283.2640
Octadecenoic acid (Oleic acid)Oleic acidME934610-C007123.02281.2483
Octanoic acid (caprylic acid)Caprylic acidME934602-C064232.01143.1065
PantothenolPantothenolME934590-C008640.69218.1029
PhosphatePhosphoric acidME934554-C000090.5996.9681
Phosphoglycerate 13C3Phosphoglyceric acidME934634-C006310.6424828187.9984
PyruvatePyruvic acidME934559-C000220.6087.0073
Ribose phosphate 13C5Ribose 5-phosphateME934636-C006200.5889141234.0281
(S)(+)-AllantoinAllantoinME934550-C023500.65157.0357
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME934574-C062220.58289.0331
Sedoheptulose 1-phosphate 13C7Sedoheptulose 1-phosphateME934635--0.6206983296.0535
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME934599-C012330.61214.0478
Sphingosine 1-phosphateSphingosine 1-phosphateME934598-C061243.02378.2400
SuccinateSuccinic acidME934568-C000420.58117.0179
Succinate 13C4Succinic acidME934626-C000420.6372334121.0301
TaurineTaurineME934591-C002450.62124.0060
Tetradecanoic acid (myristic acid)Myristic acidME934605-C064242.59227.2012
Tetradecenoic acid (myristoleic acid)Myristoleic acidME934608-C083222.39225.1855
ThymineThymineME934545-C001780.59125.0342
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME934589-C011570.61130.0497
UDP-glucoseUDP-glucoseME934552-C000290.55565.0475
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME934586-C000430.55606.0742
UMPUMPME934546-C001050.59323.0285
UracilUracilME934547-C001060.60111.0186
XanthineXanthineME934549-C003850.64151.0250


Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2',3'-Cyclic CMP2',3' cyclic CMPME934668-C023540.66306.0486
2-Aminomuconate2-Aminomuconic acidME934721-C022201.90161.0459
3-Methyldioxyindole3-MethyldioxyindoleME934711-C058341.69146.0601
4-Acetamidobutanoate4-Acetamidobutanoic acidME934701-C029460.63146.0811
5-6-DihydrothymineDihydrothymineME934669-C009060.63129.0659
5-Aminopentanoate5-Aminopentanoic acidME934705-C004310.65118.0863
5-Guanidino-2-oxopentanoate2-OxoarginineME934697-C037710.66174.0873
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME934710-C056350.62192.0622
5-Hydroxyisourate5-Hydroxyisouric acidME934667-C118210.62185.0310
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME934682-C052830.64276.1188
5-OxoprolinePyroglutamic acidME934675-C018790.63130.0499
5-Oxoproline 13C5Pyroglutamic acidME934751-C018790.638048135.0668
acetyl-carnitine (acyl-C2)CAR 2:0ME934726-C025710.65204.1230
AcetylcholineAcetylcholineME934725-C019960.64146.1176
acyl-C18:2 (Linoleoyl-CoA)Linoleoyl-CoAME934736--2.03424.3416
acyl-C4-OH (Hydroxybutyrylcarnitine)CAR 4:0;OHME934728--0.65248.1492
acyl-C5-OH (hydroxyisovalerylcarnitine)CAR 4:0;2OH,3MeME934729--0.65262.1646
AdenineAdenineME934659-C001470.65136.0619
AdenosineAdenosineME934658-C002120.65268.1035
Alanine 13C3AlanineME934737-C000410.62551593.065
AllantoateAllantoic acidME934666-C004990.59177.0609
AMPAMPME934656-C000200.66348.0702
Anthranilate2-Aminobenzoic acidME934718-C001080.64138.0547
Arginine 13C6ArginineME934738-C000620.6000713181.1391
ArgininosuccinateArgininosuccinic acidME934691-C034060.63291.1294
Asparagine 13C5AsparagineME934739-C001520.6336378138.0582
butanoyl-l-carnitine (acyl-C4)CAR 4:0ME934727-C028620.66232.1542
CadaverineCadaverineME934692-C016720.61103.1230
Cadaverine 13C5CadaverineME934754-C016720.577841108.1397
CarnosineCarnosineME934696-C003860.59227.1136
Citrulline 13C6CitrullineME934753-C003270.6376935182.1234
CMPCMPME934662-C000550.69324.0585
CreatineCreatineME934699-C003000.63132.0768
CreatinineCreatinineME934700-C007910.63114.0663
Cys-GlyCys-GlyME934677-C014190.64179.0479
CystathionineCystathionineME934684-C005420.65223.0742
Cysteine 13C3CysteineME934740-C000970.5613309125.038
CytidineCytidineME934663-C004750.64244.0926
dAMPdAMPME934657-C003600.67332.0780
DimethylglycineDimethylglycineME934685-C010260.62104.0706
DopamineDopamineME934723-C037580.64154.0861
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME934680-C157670.65233.1130
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME934678-C056950.60313.0315
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME934679-C037380.64219.0972
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME934681-C156990.79218.1503
Glutamate 13C5Glutamic acidME934741-C000250.643826153.0772
GlutathioneGlutathioneME934673-C000510.67308.0908
Glutathione disulfideOxidized glutathioneME934674-C001270.82613.1585
GMPGMPME934660-C001440.82364.0647
g-Oxalo-crotonate4-Oxalocrotonic acidME934720-C034530.65159.0278
GuanidinoacetateGuanidoacetic acidME934704-C005810.62118.0610
GuanineGuanineME934661-C002420.65152.0562
Hexadecenoyl-carnitine (acyl-C16:1)CAR 16:1ME934734--2.01398.3264
Histidine 13C6HistidineME934742-C001350.6293598162.0965
HypotaurineHypotaurineME934708-C005190.63110.0270
HypoxanthineHypoxanthineME934665-C002620.67137.0459
Hypoxanthine 13C5HypoxanthineME934749-C002620.6580078142.0622
IndoleIndoleME934712-C004630.65118.0650
Indole-3-acetaldehydeIndoleacetaldehydeME934713-C006370.64160.0751
Indole-3-acetateIndoleacetic acidME934714-C009541.90176.0705
IndolepyruvateIndolepyruvic acidME934715-C003310.65204.0635
InosineInosineME934664-C002940.65269.0878
kynurenineKynurenineME934716-C003280.65209.0912
L-AdrenalineEpinephrineME934722-C007880.62184.0946
L-alanineAlanineME934638-C000410.6290.0550
L-arginineArginineME934639-C000620.60175.1189
L-asparagineAsparagineME934640-C001520.62133.0608
L-aspartateAspartic acidME934641-C000490.64134.0449
L-CitrullineCitrullineME934690-C003270.63176.1029
L-cysteineCysteineME934642-C000970.63122.0270
Leucine/isoleucine 13C6Leucine/IsoleucineME934743-C001230.6467489138.1221
L-glutamateGlutamic acidME934643-C000250.63148.0605
L-glutamineGlutamineME934644-C000640.63147.0764
L-histidineHistidineME934645-C001350.59156.0770
L-HomocysteineHomocysteineME934683-C001550.64136.0428
L-HomoserineHomoserineME934688-C002630.64120.0655
L-leucineLeucineME934646-C001230.65132.1019
L-lysineLysineME934647-C000470.59147.1129
L-methionineMethionineME934648-C000730.65150.0580
L-Methionine S-oxideMethionine sulfoxideME934709-C029890.64166.0521
L-Palmitoylcarnitine (acyl-C16)CAR 16:0ME934733-C029902.07400.3416
L-phenylalaninePhenylalanineME934649-C000790.71166.0863
L-prolineProlineME934650-C001480.64116.0706
L-serineSerineME934651-C000650.63106.0498
L-threonineThreonineME934652-C001880.63120.0655
L-tryptophanTryptophanME934653-C000781.69205.0972
L-tyrosineTyrosineME934654-C000820.65182.0811
L-valineValineME934655-C001830.64118.0863
Lysine 13C6LysineME934744-C000470.5781466153.1329
Methionine 13C5MethionineME934745-C000730.6357743155.0745
N-Acetyl-L-citrullineN-AcetylcitrullineME934702-C155320.92218.1142
N-AcetylornithineN-AcetylornithineME934703-C004370.65175.1077
NAD+NADME934672-C000030.65664.1152
N-formyl kynurenineN-FormylkynurenineME934717-C027000.64237.0902
NicotinamideNiacinamideME934671-C001530.65123.0552
O-dodecanoyl-carnitine (acyl-C12)CAR 12:0ME934730--1.94344.2792
O-octadecenoyl-L-carnitine (acyl-C18:1)CAR 18:1ME934735--2.09426.3574
OrnithineOrnithineME934689-C016020.59133.0972
O-tetradecanoyl-L-carnitine (acyl-C14)CAR 14:0ME934731--1.99372.3105
PantetheinePantetheineME934706-C008310.65279.1336
Pantetheine 4--phosphatePantetheine 4'-phosphateME934707-C011341.85359.1059
PhosphocreatinePhosphocreatineME934698-C023050.73212.0427
PhosphoserinePhosphoserineME934686-C025320.61186.0182
Picolinic acidPicolinic acidME934719-C101640.57124.0394
Proline 13C5ProlineME934746-C001480.649991121.0871
PutrescinePutrescineME934693-C001340.5889.1074
Putrescine 13C4PutrescineME934755-C001340.582873593.12082
PyridoxalPyridoxalME934670-C002500.64168.0652
S-Adenosyl-L-methionineS-AdenosylmethionineME934687-C000190.59399.1443
S-Adenosyl-L-methionine 13C15S-AdenosylmethionineME934752-C000190.6258777414.2011
Serine 13C3SerineME934747-C000650.6274108109.0599
SerotoninSerotoninME934724-C007800.63177.1002
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME934676-C055260.63427.0905
SpermidineSpermidineME934694-C003150.58146.1652
SpermineSpermineME934695-C007500.58203.2229
Tetradecenoyl Carnitine (acyl-C14:1)CAR 14:1ME934732--1.97370.2949
Tryptophan 13C11TryptophanME934748-C000781.696053216.1366
Xanthine 13C5XanthineME934750-C003850.6606593158.0572


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