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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
hydroxyglutarate2-Hydroxyglutaric acidME63959443-8.7147.03
alpha-ketoglutarate2-Oxoglutaric acidME63953151-8.96145.014
4-aminobutyrategamma-Aminobutyric acidME639521119-8.13102.056
phosphoribosylaminePhosphoribosylamineME639627150-9.12228.028
betaineBetaineME639540247-4.93118.086
carbamoyl-aspartateCarbamoylaspartateME639542279-9.81175.036
carnitineCarnitineME639543288-6.35162.112
cholineCholineME639547305-9.63104.107
citrate / isocitrateCitric acid/Isocitric acidME639549311-10.82191.02
1-methylnicotinamide1-Methyl nicotinamideME639519457-3.85137.072
malateMalic acidME639605525-9.28133.014
creatineCreatineME639552586-7.35132.077
creatinineCreatinineME639553588-3.89114.066
cystineCystineME639558595-8.82239.017
lactateLactic acidME639601612-4.6289.024
prolineProlineME639630614-5.99116.071
dihydroxyacetone-phosphateDihydroxyacetone phosphateME639564668-8.75168.991
gamma-butyrobetaine3-DehydroxycarnitineME639576725-6.4146.118
glyceraldehyde-3-phosphateGlyceraldehyde 3-phosphateME639584729-9.33168.991
glycineGlycineME639587750-8.0576.039
glycerol-3-phosphatesn-Glycero-3-phosphateME639585754-8.54171.006
cystathionineCystathionineME639555834-9.15223.075
kynurenineKynurenineME639599846-4.73209.092
nicotinamideNiacinamideME639614936-2.59123.055
palmitic acidPalmitic acidME639619985-1.56255.233
phosphatePhosphoric acidME6396211004-6.8196.97
phosphoenolpyruvatePhosphoenolpyruvic acidME6396251005-10.43166.975
phosphocholineCholine phosphateME6396231014-8.15184.074
phosphorylethanolaminePhosphoethanolamineME6396281015-9.01140.012
pyruvatePyruvic acidME6396331060-3.687.009
quinolinic acidQuinolinic acidME6396341066-4.33166.015
sarcosineSarcosineME6396431088-7.8690.055
succinateSuccinic acidME6396481110-8.7117.019
taurineTaurineME6396491123-7.42124.007
uric acidUric acidME6396581175-6.59167.021
kynurenic acidKynurenic acidME6395983845-2.06190.05
lauric acidLauric acidME6396023893-1.6199.17
stearic acidStearic acidME6396475281-1.51283.264
sorbitolSorbitolME6396465780-6.69181.072
glucoseGlucoseME6395805793-7.22179.056
cysteineCysteineME6395565862-9.12120.012
NADP+NADPME6396135886-9.89744.083
NAD+NADME6396115892-7.71664.116
alanineAlanineME6395305950-7.390.055
serineSerineME6396455951-8.01106.05
ATPATPME6395395957-9.65505.988
glucose-6-phosphateGlucose 6-phosphateME6395815958-9.82259.022
aspartateAspartic acidME6395385960-8.38132.03
glutamineGlutamineME6395835961-7.58145.062
lysineLysineME6396045962-12.24147.113
ADPADPME6395276022-8.7426.022
UMPUMPME6396576030-8.65323.029
UDPUDPME6396546031-10.66402.995
tyrosineTyrosineME6396536057-6.17180.067
AMPAMPME6395326083-7.63346.056
leucine / isoleucineLeucine/IsoleucineME6396036106-4.83132.102
CMPCMPME6395506131-9.18322.045
CDPCDPME6395446132-10.08402.011
UTPUTPME6396606133-10.66482.961
methionineMethionineME6396066137-5.25150.058
phenylalaninePhenylalanineME6396206140-4.2166.086
cytidineCytidineME6395596175-5.43242.078
CTPCTPME6395546176-11.03481.977
ornithineOrnithineME6396176262-11.17133.097
asparagineAsparagineME6395376267-7.71133.061
histidineHistidineME6395936274-7.27154.062
valineValineME6396616287-5.67118.086
threonineThreonineME6396506288-6.99120.066
tryptophanTryptophanME6396526305-5.32203.083
arginineArginineME6395346322-12.73175.119
PRPPPhosphoribosyl pyrophosphateME6396327339-11.58388.944
dTMPdTMPME6395659700-6.97321.049
fructose-1;6-bisphosphate-ME63957210267-10.92338.989
arachidic acidArachidic acidME63953310467-1.56311.296
myristic acidMyristic acidME63960811005-1.56227.202
dAMPdAMPME63956012599-9.88331.068
CDP-cholineCDP-cholineME63954513804-8.51489.115
dATPdATPME63956115993-9.12489.994
UDP-glucuronic acidUDP-glucuronic acidME63965517473-11.59579.027
glutamateGlutamic acidME63958233032-8.13146.046
S-adenosyl-methionineS-AdenosylmethionineME63964134756-8.36399.145
dTTPdTTPME63956664968-9.33480.982
dCTPdCTPME63956265091-10.37465.982
fructose-1-phosphateFructose 1-phosphateME63957365246-8.6259.022
GSSGOxidized glutathioneME63959065359-10.43611.145
phosphoserinePhosphoserineME63962968841-9.6184.002
fructose-6-phosphateFructose 6-phosphateME63957469507-9.18259.022
N-acetylglutamateN-Acetylglutamic acidME63961070914-7.93188.056
L-2-aminobutyric acid2S-Aminobutyric acidME63960080283-6.84104.071
CoACoenzyme AME63955187642-7.68766.108
6-phosphogluconic acid6-Phosphogluconic acidME63952391493-10.66275.017
imidazoleacetic acidImidazoleacetic acidME63959696215-5.72127.05
propionyl-carnitineCAR 3:0ME639631107738-3.94218.139
hypotaurineHypotaurineME639595107812-7.58108.012
CDP-ethanolamineCDP-EthanolamineME639546123727-9.33445.053
gamma-glutamylcysteinegamma-GlutamylcysteineME639577123938-7.76251.07
GSHGlutathioneME639589124886-7.93306.077
FGARFGARME639569130805-8.7313.044
methioninesulfoxideMethionine sulfoxideME639607158980-6.4166.053
saccharopineSaccharopineME639639160556-8.8275.125
SAICARSAICARME639642160666-11.97453.066
GARGARME639578160913-9.51285.049
AIRAIRME639529161500-8.76296.064
CAIRCAIRME639541165388-7.75338.039
FAICARFAICARME639567166760-7.38365.05
NADHNADHME639612439153-7.42664.118
S-adenosyl-homocysteineS-AdenosylhomocysteineME639640439155-6.48383.114
5'-methylthioadenosine5'-MethylthioadenosineME639522439176-2.28298.097
phosphoglyceratePhosphoglyceric acidME639626439183-9.92184.986
rib/ribul/xylul-ose-phosphate-ME639635439190-9.12229.012
N-acetylglucosamine-phosphateN-Acetyl-glucosamine 6-phosphateME639609439219-8.44300.049
3-hydroxy-trimethyllysine-ME639520439460-9.52205.155
argininosuccinateArgininosuccinic acidME639535439998-9.65289.115
N-trimethyllysineN-6-TrimethyllysineME639615440121-10.84189.16
acetyl-CoAAcetyl-CoAME639525444493-6.75808.119
fumarateFumaric acidME639575444972-9.28115.004
oleic acidOleic acidME639616445639-1.56281.249
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME639656445675-8.7606.074
adenylosuccinic acidAdenylsuccinic acidME639526447145-11.19462.067
riboflavinRiboflavinME639636493570-3.18377.146
cis-aconitatecis-Aconitic acidME639548643757-10.71173.009
glycerophosphocholinesn-Glycero-3-phosphocholineME639586657272-7.15258.11
urocanic acidUrocanic acidME639659736715-5.51139.05
orotateOrotic acidME6396181492348-5.48155.01
fructoseFructoseME6395712723872-6.48179.056
trifluoromethanesulfonate-ME6396512758875-1.89148.953
cysteine-glutathione disulfideS-Glutathionyl-cysteineME6395573080690-9.84427.095
xyluloseXyluloseME6396645289590-5.22149.046
phosphatidylethanolamine-ME6396225327011-8.7298.07
dihydroorotate4,5-Dihydroorotic acidME6395635461056-5.64157.025
FGAMFGAMME6395685462266-9.19312.06
xylonic acidXylonic acidME6396636602431-6.81165.04
acetyl-carnitineCAR 2:0ME6395247045767-4.73204.123
phosphocreatinePhosphocreatineME6396249548602-8.7210.029
XMPXMPME63966210287649-10.82363.035
sedoheptulose-7-phosphateSedoheptulose 7-phosphateME63964422833559-9.5289.033
ascorbateVitamin CME63953654670067-8.03175.025
AICARAICARME63952890471726-8.65337.059
GDPGDPME639579135398619-10.71442.017
GMPGMPME639588135398631-9.75362.051
GTPGTPME639591135398633-11.65521.983
guanosineGuanosineME639592135398635-6.01282.084
IMPIMPME639597135398640-9.01347.04
folateFolic acidME639570135398658-10.03440.132
S-(1;2-Dicarboxyethyl)glutathione-ME639637329770102-11.36422.087
S-(2-Succinyl)-L-cysteine-ME639638--10.31236.023


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