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Analysis: Other POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
HexylamineHexylamineME294402-C08306-102.1275083
CadaverineCadaverineME294370-C01672-103.1228732
GABAgamma-Aminobutyric acidME294357-C00334-104.0707583
2-Aminobutyric acid2-Aminobutyric acidME294355-C03665-104.0707883
CholineCholineME294363-C00114-104.1070404
SerSerineME294377-C00065-106.0495755
DiethanolamineDiethanolamineME294360-C06772-106.086292
UracilUracilME294366-C00106-113.0345305
CreatinineCreatinineME294393-C00791-114.065253
3-Amino-2-piperidone3-Amino-2-piperidoneME294332---115.0867625
ProProlineME294364-C00148-116.0706429
ValValineME294359-C00183-118.0860135
BetaineBetaineME294404-C00719-118.0861192
2-Methylserine2-MethylserineME294333-C02115-120.0652058
ThrThreonineME294361-C00188-120.0653543
HomoserineHomoserineME294348-C00263-120.0657684
NicotinamideNiacinamideME294369-C00153-123.0551448
Nicotinic acidNicotinic acidME294351-C00253-124.0389523
Glutaconic acidGlutaconic acidME294334-C02214-131.0333917
N-AcetylputrescineN-AcetylputrescineME294350-C02714-131.11771
AgmatineAgmatineME294390-C00179-131.1290792
HydroxyprolineHydroxyprolineME294335-C01157-132.0650667
5-Aminolevulinic acid5-Amino-levulinic acidME294380-C00430-132.0658383
IleIsoleucineME294372-C00407-132.1017375
LeuLeucineME294375-C00123-132.1017525
AsnAsparagineME294371-C00152-133.0599692
OrnithineOrnithineME294344-C00077-133.096935
AspAspartic acidME294346-C00049-134.0442558
AdenineAdenineME294373-C00147-136.0610942
HypoxanthineHypoxanthineME294328-C00262-137.0451722
4-Guanidinobutyric acid4-Guanidinobutanoic acidME294378-C01035-146.092057
SpermidineSpermidineME294394-C00315-146.1648775
GlnGlutamineME294397-C00064-147.0760667
LysLysineME294382-C00047-147.1120692
GluGlutamic acidME294353-C00025-148.0599525
N-AcetylserineN-AcetylserineME294343---148.06039
MetMethionineME294388-C00073-150.05822
GuanineGuanineME294384-C00242-152.05648
D-Alanyl-D-alanineD-Alanyl-D-AlanineME294349-C00993-161.0917992
N6-Methyl-L-lysineN(6)-MethyllysineME294407-C02728-161.1279533
N-Methy-L-glutamic acidN-Methyl-glutamic acidME294336-C01046-162.0759817
O-AcetylhomoserineO-Acetyl-homoserineME294337-C01077-162.07611
PterinPterinME294386-C00715-164.0564042
CytosineCytosineME294385-C01606-165.01977
Methionine sulfoxideMethionine sulfoxideME294401-C02989-166.0525575
7-Methylguanine7-MethylguanineME294365-C02242-166.0717717
PhePhenylalanineME294395-C00079-166.0859458
PyridoxalPyridoxalME294368-C00250-168.06478
N5-Ethyl-L-glutamineN(5)-Ethyl-glutamineME294338-C01047-175.1068
N-AcetylornithineN-AcetylornithineME294391-C00437-175.1073542
ArgArginineME294398-C00062-175.1185475
CitrullineCitrullineME294339-C00327-176.1021
GluconolactoneGluconolactoneME294367-C00198-179.0541686
GlucosamineGlucosamineME294400-C00329-180.0855154
TyrTyrosineME294389-C00082-182.0801575
PhosphorylcholineCholine phosphateME294387-C00588-184.072968
N8-AcetylspermidineN8-AcetylspermidineME294340-C01029-188.1745783
N-AcetyllysineN(2)-AcetyllysineME294379-C12989-189.1225292
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME294341-C03793-189.159736
SpermineSpermineME294383-C00750-203.2223758
TrpTryptophanME294405-C00078-205.0962217
beta-Alanyl-L-lysine-ME294329-C05341-218.1489814
ThymidineThymidineME294392-C00214-243.0934908
CytidineCytidineME294352-C00475-244.0920592
UridineUridineME294362-C00299-245.076461
DeoxyadenosineDeoxyadenosineME294354-C00559-252.1083658
DyphyllineDyphyllineME294396-C07819-255.1066715
ThiamineThiamineME294374-C00378-265.1107025
AdenosineAdenosineME294356-C00212-268.1034017
GuanosineGuanosineME294358-C00387-284.0982517
TrimethylamineTrimethylamineME294403-C00565-60.0808125
EthanolamineEthanolamineME294399-C00189-62.06005625
GlyGlycineME294347-C00037-76.03944342
PiperidinePiperidineME294330-C01746-86.0967
Ethylacetimidate-ME294342---88.075832
PutrescinePutrescineME294376-C00134-89.107508
IsopropanolamineIsopropanolamineME294406-C00099-90.05479333
AlaAlanineME294345-C00041-90.05483833
3-Amino-1,2-propanediol(S)-3-Amino-1,2-propanediolME294331-C06057-92.07046833
GlycerolGlycerolME294381-C00116-93.05466962


Analysis: Other NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Hydroxybutyric acid2-Hydroxybutyric acidME294412-C05984-103.0404392
3-Hydroxybutyric acid3-Hydroxybutyric acidME294437-C01089-103.0404875
Glyceric acidGlyceric acidME294413-C00258-105.0198533
dAMPdAMPME294424-C00380-112.0504596
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME294421---117.0564091
5-OxoprolinePyroglutamic acidME294408-C01879-128.0354243
2-Hydroxy-4-methylpentanoic acidLeucinic acidME294409-C03264-131.072555
Threonic acidThreonic acidME294414-C01620-135.030722
Dihydroxyacetone phosphateDihydroxyacetone phosphateME294425-C00111-168.9914608
Glycerol 3-phosphatesn-Glycero-3-phosphateME294419-C00093-171.0072567
3-Phosphoglyceric acid3-Phosphoglyceric acidME294415-C00197-184.9861067
Ribulose 5-phosphateRibulose 5-phosphateME294418-C00199-229.012835
Ribose 5-phosphateRibose 5-phosphateME294433-C00117-229.0128483
Glucose 6-phosphateGlucose 6-phosphateME294422-C00668-259.0238075
Fructose 6-phosphateFructose 6-phosphateME294420-C05345-259.0238158
Glucose 1-phosphateGlucose 1-phosphateME294427-C00103-259.0243158
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME294426-C05382-289.034025
dTMPdTMPME294423-C00364-321.049514
CMPCMPME294430-C00055-322.0467442
UMPUMPME294429-C00105-323.0303858
Fructose 1,6-diphosphateFructose 1,6-bisphosphateME294410-C00354-338.9901
AMPAMPME294431-C00020-346.0569042
GMPGMPME294432-C00144-362.0525633
CDPCDPME294436-C00112-402.0113829
UDPUDPME294434-C00015-402.9962589
ADPADPME294416-C00008-426.0245
GDPGDPME294435-C00035-442.018044
NAD+NADME294428-C00003-662.1039633
6-Phosphogluconic acid6-Phosphogluconic acidME294438-C03194-76.075815
Butyric acidButyric acidME294417-C00246-87.0456089
Lactic acidLactic acidME294411-C00186-89.02537917


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