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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
1-3-Bisphosphoglycerate1,3-Diphosphoglyceric acidME935277-C00236-264.9521
2',3'-Cyclic CMP2',3' cyclic CMPME935267-C02354-304.0341
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME935278-C00631-184.9857
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME935289-C02630-147.0302
2-Oxoadipate2-Oxoadipic acidME935307-C00322-159.0299
2-Oxoglutarate2-Oxoglutaric acidME935285-C00026-145.0148
3',5'-Cyclic AMP3',5' cyclic AMPME935266-C00575-328.0454
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME935301-C03232-182.9677
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME935299-C05283-274.1045
Adenylosuccinic acidAdenylsuccinic acidME935268-C03794-462.0670
ADPADPME935251-C00008-426.0222
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME935303-C06156-258.0384
alpha-D-Ribose 1-phosphateRibose 1-phosphateME935293-C00620-229.0119
AMPAMPME935252-C00020-346.0558
AspartateAspartic acidME935246-C00049-132.0303
ATPATPME935250-C00002-505.9886
CDPCDPME935257-C00112-402.0110
CitrateCitric acidME935284-C00158-191.0198
CMPCMPME935258-C00055-322.0447
CTPCTPME935256-C00063-481.9773
dAMPdAMPME935253-C00360-330.0612
dCMPdCMPME935259-C00239-306.0492
Decanoic acid (caprate)Capric acidME935312-C01571-171.1391
D-Erythrose 4-phosphateErythrose 4-phosphateME935291-C00279-199.0011
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME935275-C00354-338.9889
D-GlucoseGlucoseME935273-C00031-179.0561
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME935276-C00118-168.9909
DimethylglycineDimethylglycineME935300-C01026-102.0561
DiphosphatePyrophosphateME935272-C00013-176.9360
Dodecanoic acidLauric acidME935313-C02679-199.1704
FumarateFumaric acidME935287-C00122-115.0037
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME935298-C15767-231.0986
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME935297-C03738-217.0836
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME935296-C00669-249.0560
GDPGDPME935254-C00035-442.0172
GlutamateGlutamic acidME935247-C00025-146.0459
GlutamineGlutamineME935248-C00064-145.0619
Glutathione disulfideOxidized glutathioneME935295-C00127-611.1463
Glutathione (GSH)GlutathioneME935294-C00051-306.0766
Glycerol 3-phosphatesn-Glycero-3-phosphateME935308-C00093-171.0064
GMPGMPME935255-C00144-362.0508
Heptanoic acidHeptylic acidME935309-C17714-129.0921
Hexadecanoic acidPalmitic acidME935315-C00249-255.2330
Hexadecenoic acidHexadecenoic acidME935317-C08362-253.2173
Hexose phosphateHexose 6-phosphateME935274-C02965-259.0225
IMPIMPME935264-C00130-347.0392
ItaconateItaconic acidME935290-C00490-129.0193
LactateLactic acidME935281-C01432-89.0244
MalateMalic acidME935288-C00149-133.0143
Mannitol/Sorbitol/Glucitol/Iditol-ME935282-C00392-181.0718
N-AcetylneuraminateN-Acetylneuraminic acidME935302-C00270-308.0988
NADP+NADPME935270-C00006-742.0683
Nonanoic acid (pelargonate)Pelargonic acidME935311-C01601-157.1234
Octadecanoic acid (stearic acid)Stearic acidME935316-C01530-283.2643
Octadecenoic acid (oleic acid)Oleic acidME935318-C00712-281.2486
Octanoic acid (caprylate)Caprylic acidME935310-C06423-143.1078
Pantetheine 4--phosphatePantetheine 4'-phosphateME935306-C01134-357.0890
PantothenatePantothenic acidME935305-C00864-218.1033
PhosphatePhosphoric acidME935271-C00009-96.9696
PhosphoenolpyruvatePhosphoenolpyruvic acidME935279-C00074-166.9751
ProlineProlineME935249-C00148-114.0561
PyruvatePyruvic acidME935280-C00022-87.0087
Ribose/Ribulose/Arabinose/Xylose/Xylulose-ME935283-C00121-149.0458
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME935292-C06222-289.0331
SuccinateSuccinic acidME935286-C00042-117.0195
Tetradecanoic acidMyristic acidME935314-C06424-227.2017
UDPUDPME935261-C00015-402.9950
UDP-glucoseUDP-glucoseME935269-C00029-565.0479
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME935304-C00043-606.0745
UMPUMPME935262-C00105-323.0287
UracilUracilME935263-C00106-111.0200
UrateUric acidME935265-C00366-167.0210
UTPUTPME935260-C00075-482.9614


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
5-OxoprolinePyroglutamic acidME935342-C018790.63130.0500
AcetylcholineAcetylcholineME935351-C019961.71146.1176
AdenineAdenineME935332-C001470.67136.0619
AdenosineAdenosineME935331-C002120.67268.1040
AlanineAlanineME935319-C000410.6290.0551
ArginineArginineME935320-C000620.59175.1189
CholineCholineME935350-C001140.61104.1072
Cys-GlyCys-GlyME935343-C014190.65179.0485
CysteineCysteineME935321-C000970.63122.0271
CytidineCytidineME935335-C004750.64244.0929
CytosineCytosineME935336-C003800.64112.0508
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME935344-C056950.61313.0297
GuanineGuanineME935334-C002420.66152.0567
GuanosineGuanosineME935333-C003870.66284.0990
HistidineHistidineME935322-C001350.58156.0768
HypoxanthineHypoxanthineME935338-C002620.67137.0459
InosineInosineME935337-C002940.63269.0884
L-CarnitineCarnitineME935352-C003180.62162.1125
L-CitrullineCitrullineME935346-C003270.62176.1030
Leucine+isoleucineLeucineME935323-C001230.74132.1020
LysineLysineME935324-C000470.57147.1129
NAD+NADME935341-C000030.64664.1168
NicotinamideNiacinamideME935340-C001530.66123.0554
OrnithineOrnithineME935345-C016020.58133.0973
PhenylalaninePhenylalanineME935325-C000791.38166.0863
PutrescinePutrescineME935347-C001340.5889.1075
SerineSerineME935326-C000650.60106.0501
SpermidineSpermidineME935348-C003150.56146.1652
SpermineSpermineME935349-C007500.58203.2231
ThreonineThreonineME935327-C001880.62120.0657
TryptophanTryptophanME935328-C000781.71205.0972
TyrosineTyrosineME935329-C000820.65182.0811
ValineValineME935330-C001830.64118.0864
XanthineXanthineME935339-C003850.67153.0407


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