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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
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME934792-C02630-147.0285
2-Oxoglutarate2-Oxoglutaric acidME934786-C00026-145.0137
2-Oxoglutarate 13C542-Oxoglutaric acidME934833-C00026-150.0293
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME934780-C00631-184.9843
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME934798-C15767-231.0978
AdenineAdenineME934760-C00147-134.0458
Adenine 13C5AdenineME934838-C00047-139.0626
AdenosineAdenosineME934759-C00212-266.0884
Adenosine 13C10AdenosineME934837-C00212-276.1224
ADPADPME934757-C00008-426.0214
ADP 13C10ADPME934835-C00020-436.0544
ADP-D-riboseADP-riboseME934773-C01882-558.0627
6-AminohexanoateAminocaproic acidME934829-C02378-130.0858
AMPAMPME934758-C00020-346.0549
amp 13c10AMPME934836-C00008-356.0887
L-asparagineAsparagineME934756-C00152-131.0447
Decanoic acid (caprate)Capric acidME934814-C01571-171.1376
Hexanoic acid (caproate)Caproic acidME934811-C01585-115.0748
CarnosineCarnosineME934803-C00386-225.0982
CitrateCitric acidME934785-C00158-191.0184
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME934802-C00128-613.1385
CytidineCytidineME934763-C00475-242.079
DehydroascorbateDehydroascorbic acidME934797-C05422-173.0073
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME934826-C03242-305.248
Docosahexaenoic acidDocosahexaenoic acidME934824-C06429-327.2323
Dodecanedioic acidDodecanedioic acidME934825-C02678-229.1437
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME934828-C16513-329.248
dTMPdTMPME934764-C00364-321.0443
Eicosatetraenoic acidEicosatetraenoic acidME934823-C00219-303.2323
(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acidEPAME934827-C06428-301.2167
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME934778-C00354-338.9879
Fructose bisphosphate 13C6Fructose 1,6-bisphosphateME934840-C00354-345.0139
FumarateFumaric acidME934788-C00122-115.0021
GDPGDPME934761-C00035-442.0158
D-GlucoseGlucoseME934776-C00031-179.055
D-Glucose 6-phosphateGlucose 6-phosphateME934777-C00092-259.0217
GlutathioneGlutathioneME934795-C00051-306.0761
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME934779-C00118-168.9881
Glyceraldehyde 3-phosphate 13C3Glyceraldehyde 3-phosphateME934841-C00118-172.0005
GMPGMPME934762-C00144-362.0502
Heptanoic acidHeptylic acidME934812-C17714-129.0905
Hexadecenoic acidHexadecenoic acidME934820-C08362-253.2167
Hexose phosphate 13C6Hexose 6-phosphateME934839-C02965-265.045
HypotaurineHypotaurineME934806-C00519-108.0107
HypoxanthineHypoxanthineME934769-C00262-135.0297
IDPIDPME934766-C00104-427.0062
IMPIMPME934767-C00130-347.0392
InosineInosineME934768-C00294-267.0731
ItaconateItaconic acidME934791-C00490-129.0176
3-Methyl-2-oxobutanoic acidKetoisovaleric acidME934832-C00141-115.0385
LactateLactic acidME934782-C01432-89.02266
Dodecanoic acidLauric acidME934815-C02679-199.1691
LinoleateLinoleic acidME934822-C01595-279.2323
MalateMalic acidME934789-C00149-133.0126
Malate 13C4Malic acidME934834-C00149-137.0259
MaltoseMaltoseME934783-C00208-341.1082
MannitolMannitolME934784-C00392-181.0697
Tetradecanoic acidMyristic acidME934816-C06424-227.2008
N-AcetylmethionineN-AcetylmethionineME934831-C02712-190.0531
N-AcetylneuraminateN-Acetylneuraminic acidME934799-C00270-308.0979
N-formyl kynurenineN-FormylkynurenineME934807-C02700-235.074
N-Glycoloyl-neuraminateN-Glycolylneuraminic acidME934800-C03410-324.0927
Octadecenoic acidOctadecenoic acidME934821-C00712-281.248
OxaloacetateOxaloacetic acidME934790-C00036-131.0001
Hexadecanoic acidPalmitic acidME934817-C00249-255.2323
Nonanoic acid (pelargonate)Pelargonic acidME934813-C01601-157.122
PhosphocreatinePhosphocreatineME934804-C02305-210.0274
Phosphoenolpyruvate 13C3Phosphoenolpyruvic acidME934842-C00074-169.9843
PhosphatePhosphoric acidME934774-C00009-96.96783
DiphosphatePyrophosphateME934775-C00013-176.9344
PyruvatePyruvic acidME934781-C00022-87.00703
alpha-D-Ribose 1-phosphateRibose 1-phosphateME934794-C00620-229.0108
alpha-D-Ribose 1-phosphate 13C5Ribose 1-phosphateME934844-C00620-234.0278
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME934793-C06222-289.0324
Sedoheptulose 1-phosphate 13C7Sedoheptulose 1-phosphateME934843-C06222-296.0524
SerotoninSerotoninME934808-C00780-175.0904
Glycerol 3-phosphatesn-Glycero-3-phosphateME934809-C00093-171.005
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME934810-C01233-214.0475
Octadecanoic acidStearic acidME934818-C01530-283.2636
SuccinateSuccinic acidME934787-C00042-117.0176
TaurineTaurineME934805-C00245-124.0058
Tetradecenoic acidTetradecenoic acidME934819-C08322-225.1851
UDP-glucoseUDP-glucoseME934772-C00029-565.0465
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME934801-C00043-606.0731
UMPUMPME934765-C00105-323.0277
UrateUric acidME934771-C00366-167.0199
AscorbateVitamin CME934796-C00072-175.0239
XanthineXanthineME934770-C00385-151.0246
L-4-Hydroxyglutamate semialdehyde-ME934830-C05938-146.0443


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-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME934900-C17220-191.0765
6-Lactoyl-5-6-7-8-tetrahydropterin6-LactoyltetrahydropterinME934896-C04244-240.1093
Alanine 13C3AlanineME934901-C00041-93.0657
L-alanineAlanineME934845-C00041-90.05567
AllantoateAllantoic acidME934865-C00499-177.061
L-arginineArginineME934846-C00062-175.119
L-Arginine 13C6ArginineME934902-C00062-181.1391
Asparagine 13C4AsparagineME934903-C00152-137.0742
L-aspartateAspartic acidME934847-C00049-134.0449
L-Aspartate 13C4Aspartic acidME934904-C00049-138.0581
Cadaverine 13C5CadaverineME934922-C01672-108.1402
acyl-C3 (propionyl-carnitine)CAR 3:0ME934890-C03017-218.1387
acyl-C5 (isovalerylcarnitine)CAR 4:0;3MeME934891-C20826-246.17
acyl-C6 (hexanoyl-l-carnitine)CAR 6:0ME934892---260.1856
acyl-C8 (L-octanoylcarnitineCAR 8:0ME934893---288.2168
N-Carbamyl-L-glutamateCarglumic acidME934899-C05829-191.0664
L-CarnitineCarnitineME934889-C00318-162.1124
Citrulline 13C6CitrullineME934921-C00327-182.1238
L-CitrullineCitrullineME934874-C00327-176.1031
CMPCMPME934863-C00055-324.059
CreatineCreatineME934878-C00300-132.0769
CreatinineCreatinineME934879-C00791-114.0666
Cysteine 13C3CysteineME934905-C00097-125.038
L-cysteineCysteineME934848-C00097-122.0273
CytosineCytosineME934864-C00380-112.0509
DimethylglycineDimethylglycineME934872-C01026-104.0712
L-AdrenalineEpinephrineME934887-C00788-184.0953
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME934871-C05283-276.1191
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME934870-C15699-218.1501
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME934869-C03738-219.0976
Glutamate 13C5Glutamic acidME934906-C00025-153.0771
L-glutamateGlutamic acidME934849-C00025-148.0605
L-glutamineGlutamineME934850-C00064-147.0764
glycineGlycineME934851-C00037-76.04012
GuanidinoacetateGuanidoacetic acidME934882-C00581-118.0615
Histidine 13C6HistidineME934907-C00135-162.0967
L-histidineHistidineME934852-C00135-156.0769
Hypoxanthine 13C5HypoxanthineME934919-C00262-142.0616
IndolepyruvateIndolepyruvic acidME934885-C00331-204.0633
L-leucineLeucineME934853-C00123-132.1021
Leucine/isoleucine 13C6Leucine/IsoleucineME934908-C00123-138.1221
L-lysineLysineME934854-C00047-147.1129
Lysine 13C6LysineME934909-C00047-153.1327
L-methionineMethionineME934855-C00073-150.0585
L-Methionine 13C5MethionineME934910-C00073-155.0744
L-Methionine S-oxideMethionine sulfoxideME934884-C02989-166.0533
MethylenediureaMethylenediureaME934897-C06381-133.0735
N5-Methyl-L-glutamineN(5)-Methyl-glutamineME934895-C03153-161.0922
N-Acetyl-L-citrullineN-AcetylcitrullineME934880-C15532-218.1135
N-AcetylornithineN-AcetylornithineME934881-C00437-175.1079
NicotinamideNiacinamideME934866-C00153-123.0556
OrnithineOrnithineME934873-C01602-133.0973
L-phenylalaninePhenylalanineME934856-C00079-166.0864
L-Phenylalanine 13C9PhenylalanineME934911-C00079-175.119
Ethanolamine phosphatePhosphoethanolamineME934888-C00346-142.0264
Picolinic acidPicolinic acidME934886-C10164-124.039
L-prolineProlineME934857-C00148-116.071
Proline 13C5ProlineME934912-C00148-121.0872
PutrescinePutrescineME934875-C00134-89.10802
Putrescine 13C4PutrescineME934923-C00134-93.12141
5-OxoprolinePyroglutamic acidME934867-C01879-130.05
L-serineSerineME934858-C00065-106.0503
Serine 13C3SerineME934913-C00065-109.0604
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME934868-C05526-427.0899
SpermidineSpermidineME934876-C00315-146.1652
Spermidine 13C7SpermidineME934918-C00315-153.1887
SpermineSpermineME934877-C00750-203.2233
L-threonineThreonineME934859-C00188-120.0659
L-Threonine 13C4ThreonineME934914-C00188-124.0794
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME934883-C01157-132.0657
TriacanthineTriacanthineME934894-C08435-204.1231
L-tryptophanTryptophanME934860-C00078-205.0974
L-Tryptophan 13C11TryptophanME934915-C00078-216.1333
L-tyrosineTyrosineME934861-C00082-182.0812
Tyrosine 13C9TyrosineME934916-C00093-191.1116
L-valineValineME934862-C00183-118.0866
L-Valine 13C5ValineME934917-C00183-123.1033
Xanthine 13C5XanthineME934920-C00385-158.0568
2-Deoxy-alpha-D-glucoside-ME934898-C03573-164.067


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