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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
Pyruvic acidPyruvic acidME392919---87.00962056
Lactic acidLactic acidME392920---89.02517383
3-Hydroxybutyric acid3-Hydroxybutyric acidME392921---103.0405737
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME392922---103.0406318
Fumaric acidFumaric acidME392923---115.0036454
Succinic acidSuccinic acidME392924---117.0193965
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME392925---124.9919281
Pyroglutamic acidPyroglutamic acidME392926---128.0353733
Glutaric acidGlutaric acidME392927---131.03488
Malic acidMalic acidME392928---133.013815
PhosphoethanolaminePhosphoethanolamineME392929---140.0119594
Caprylic acidCaprylic acidME392930---143.1070825
Oxoglutaric acid2-Oxoglutaric acidME392931---145.0136086
Adipic acidAdipic acidME392932---145.05028
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME392933---147.0295912
Pelargonic acidPelargonic acidME392934---157.1230778
Terephthalic acidTerephthalic acidME392935---165.0194406
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME392936---166.97612
Uric acidUric acidME392937---167.0205377
Dihydroxyacetone phosphateDihydroxyacetone phosphateME392938---168.9911028
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME392939---168.9911618
sn-Glycero-3-phosphatesn-Glycero-3-phosphateME392940---171.0063078
N-Acetylaspartic acidN-Acetylaspartic acidME392941---174.040505
Vitamin CVitamin CME392942---175.02421
PyrophosphatePyrophosphateME392943---176.9354394
3-Phosphoglyceric acid3-Phosphoglyceric acidME392944---184.9859989
Azelaic acidAzelaic acidME392945---187.097398
Citric acidCitric acidME392946---191.0194122
Quinic acidQuinic acidME392947---191.05731
PhenylacetylglycinePhenylacetylglycineME392948---192.067215
Galacturonic acidGalacturonic acidME392949---193.0355233
Gluconic acidGluconic acidME392950---195.0504713
Lauric acidLauric acidME392951---199.170458
PhosphocreatinePhosphocreatineME392952---210.0283506
Indoxyl sulfateIndoxyl sulfateME392953---212.00328
Pantothenic acidPantothenic acidME392954---218.1034328
Ribulose 5-phosphateRibulose 5-phosphateME392955---229.0124422
Ribose 5-phosphateRibose 5-phosphateME392956---229.0127333
Fructose 6-phosphateFructose 6-phosphateME392957---259.0228161
Glucose 6-phosphateGlucose 6-phosphateME392958---259.0228233
Glucose 1-phosphateGlucose 1-phosphateME392959---259.0228422
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME392960---264.95087
6-Phosphogluconic acid6-Phosphogluconic acidME392961---275.0176461
N-Acetyl-alpha-neuraminic acidN-Acetylneuraminic acidME392962---308.0995044
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME392963---338.9894006
AMPAMPME392964---346.05702
IMPIMPME392965---347.0407572
Coenzyme ACoenzyme AME392966---382.5526872
Phosphoribosyl pyrophosphatePhosphoribosyl pyrophosphateME392967---388.9465278
ADPADPME392968---426.0236133
CTPCTPME392969---481.9790594
UTPUTPME392970---482.9629161
ATPATPME392971---505.9899322
GTPGTPME392972---521.9848756
ADP-riboseADP-riboseME392973---558.0646244
GDP-glucoseGDP-glucoseME392974---604.0706589
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME392975---606.0748467
NAD+NADME392976---662.1029339
NADHNADHME392977---664.1169556
NADP+NADPME392978---742.0688033


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
UreaUreaME392979---61.040131
EthanolamineEthanolamineME392980---62.06041461
GlycineGlycineME392981---76.03966778
Trimethylamine N-oxideTrimethylamine N-oxideME392982---76.07602861
PutrescinePutrescineME392983---89.10710144
SarcosineSarcosineME392984---90.05474767
beta-Alaninebeta-AlanineME392985---90.05490361
AlanineAlanineME392986---90.05502761
GlycerolGlycerolME392987---93.05467478
Homoserine lactoneHomoserine lactoneME392988---102.054898
gamma-Aminobutyric acidgamma-Aminobutyric acidME392989---104.0704822
DimethylglycineDimethylglycineME392990---104.07026
2-Aminobutyric acid2-Aminobutyric acidME392991---104.0705871
CholineCholineME392992---104.1068616
SerineSerineME392993---106.0497114
HypotaurineHypotaurineME392994---110.0268692
CreatinineCreatinineME392995---114.0660971
ProlineProlineME392996---116.0704891
Guanidoacetic acidGuanidoacetic acidME392997---118.0623765
ValineValineME392998---118.0861145
BetaineBetaineME392999---118.0861276
HomoserineHomoserineME393000---120.065192
ThreonineThreonineME393001---120.0653274
NiacinamideNiacinamideME393002---123.0549975
TaurineTaurineME393003---126.0217367
N-Methyl-prolineN-Methyl-prolineME393004---130.08571
Pipecolic acidPipecolic acidME393005---130.0860853
HydroxyprolineHydroxyprolineME393006---132.0667
3-Guanidinopropanoic acid3-Guanidinopropanoic acidME393007---132.0761422
IsoleucineIsoleucineME393008---132.1002428
LeucineLeucineME393009---132.1005589
Gly-GlyGly-GlyME393010---133.0598728
AsparagineAsparagineME393011---133.0604294
CreatineCreatineME393012---133.0788872
OrnithineOrnithineME393013---133.0966983
Aspartic acidAspartic acidME393014---134.0445961
MethylcysteineMethylcysteineME393015---136.0437061
AdenineAdenineME393016---136.0611317
HypoxanthineHypoxanthineME393017---137.0452506
Urocanic acidUrocanic acidME393018---139.0503167
Methylimidazoleacetic acidMethylimidazoleacetic acidME393019---141.0652128
EctoineEctoineME393020---143.0809633
StachydrineStachydrineME393021---144.1012128
3-Dehydroxycarnitine3-DehydroxycarnitineME393022---146.1170778
SpermidineSpermidineME393023---146.1644322
GlutamineGlutamineME393024---147.0763756
LysineLysineME393025---147.112305
Isoglutamic acidIsoglutamic acidME393026---148.05982
Glutamic acidGlutamic acidME393027---148.0603161
MethionineMethionineME393028---150.0582061
HistidineHistidineME393029---156.0763811
N(6)-MethyllysineN(6)-MethyllysineME393030---161.1280389
CarnitineCarnitineME393031---162.1123144
PhenylalaninePhenylalanineME393032---166.0858711
3-Methylhistidine3-MethylhistidineME393033---170.0917761
N(5)-Ethyl-glutamineN(5)-Ethyl-glutamineME393034---175.1067694
ArginineArginineME393035---175.1183189
CitrullineCitrullineME393036---176.1023439
GlucosamineGlucosamineME393037---180.0861592
TheobromineTheobromineME393038---181.0711289
TyrosineTyrosineME393039---182.0807928
Choline phosphateCholine phosphateME393040---184.072865
N(2)-AcetyllysineN(2)-AcetyllysineME393041---189.121805
N-6-TrimethyllysineN-6-TrimethyllysineME393042---189.1588206
Gly-AspGly-AspME393043---191.0655117
DimethylarginineDimethylarginineME393044---203.1475412
Symmetric dimethyl-arginineSymmetric dimethylarginineME393045---203.1490311
SpermineSpermineME393046---203.2217644
CAR 2:0CAR 2:0ME393047---204.1221867
TryptophanTryptophanME393048---205.0963161
KynurenineKynurenineME393049---209.0915594
CystathionineCystathionineME393050---223.0745229
CarnosineCarnosineME393051---227.1132689
CAR 4:0CAR 4:0ME393052---232.1534278
CAR 4:0(2)CAR 4:0ME393053---232.1535728
AnserineAnserineME393054---241.1289544
CytidineCytidineME393055---244.0928544
UridineUridineME393056---245.0763433
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME393057---249.0625528
DyphyllineDyphyllineME393058---255.1087778
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME393059---258.10904
AdenosineAdenosineME393060---268.1013667
InosineInosineME393061---269.0870206
SaccharopineSaccharopineME393062---277.1384378
GuanosineGuanosineME393063---284.0986517
CAR 8:0CAR 8:0ME393064---288.2154053
Argininosuccinic acidArgininosuccinic acidME393065---291.128855
Oxidized glutathioneOxidized glutathioneME393066---307.08237
GlutathioneGlutathioneME393067---308.0900878
S-LactoylglutathioneS-LactoylglutathioneME393068---380.11135
S-AdenosylmethionineS-AdenosylmethionineME393069---399.1437283


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