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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
L-2-aminobutyric acid2S-Aminobutyric acidME74215380283-6.55104.071
cholineCholineME742141305-9.81104.107
serineSerineME7421705951-8.08106.05
creatinineCreatinineME742144588-3.96114.066
prolineProlineME742166614-6.01116.071
betaineBetaineME742138247-5.02118.086
valineValineME7421726287-5.76118.086
threonineThreonineME7421716288-7.13120.066
nicotinamideNiacinamideME742160936-2.63123.055
creatineCreatineME742143586-7.43132.077
leucine / isoleucineLeucine/IsoleucineME7421546106-4.68132.102
asparagineAsparagineME7421376267-7.82133.061
ornithineOrnithineME7421636262-11.26133.097
3-hydroxy-trimethyllysine-ME742131439460-4.42137.072
gamma-butyrobetaine3-DehydroxycarnitineME742147725-6.47146.118
lysineLysineME7421555962-12.34147.113
methionineMethionineME7421566137-5.12150.058
carnitineCarnitineME742139288-6.41162.112
methioninesulfoxideMethionine sulfoxideME742157158980-6.62166.053
phenylalaninePhenylalanineME7421646140-4.22166.086
arginineArginineME7421366322-12.83175.119
citrullineCitrullineME7421429750-8.28176.103
phosphocholineCholine phosphateME7421651014-8.18184.074
N-trimethyllysineN-6-TrimethyllysineME742161440121-11189.16
kynurenic acidKynurenic acidME7421513845-2.84190.05
acetyl-carnitineCAR 2:0ME7421337045767-4.81204.123
kynurenineKynurenineME742152846-4.67209.092
propionyl-carnitineCAR 3:0ME742167107738-4.07218.139
cystathionineCystathionineME742145834-9.19223.075
gamma-glutamylcysteinegamma-GlutamylcysteineME742148123938-7.64251.07
glycerophosphocholinesn-Glycero-3-phosphocholineME742149657272-7.18258.11
ophthalmateOphthalmic acidME7421627018721-7.07290.135
AIRAIRME742134161500-7.2296.064
5'-methylthioadenosine5'-MethylthioadenosineME742132439176-2.38298.097
riboflavinRiboflavinME742168493570-3.09377.146
S-adenosyl-methionineS-AdenosylmethionineME74216934756-8.38399.145
cysteine-glutathione disulfideS-Glutathionyl-cysteineME7421463080690-9.84427.095
CDP-cholineCDP-cholineME74214013804-8.53489.115
NAD+NADME7421585892-7.78664.116
NADP+NADPME7421595886-10.04744.083
glycineGlycineME742150750-8.1376.039
alanineAlanineME7421355950-7.4390.055


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
gamma-amino-butyrategamma-Aminobutyric acidME742208119-8.1102.056
hypotaurineHypotaurineME742223107812-7.6108.012
fumarateFumaric acidME742207444972-9.37115.004
succinateSuccinic acidME7422541110-8.82117.019
cysteineCysteineME7421945862-8.82120.012
taurineTaurineME7422551123-7.55124.007
aspartateAspartic acidME7421835960-8.3132.03
malateMalic acidME742228525-9.37133.014
phosphorylethanolaminePhosphoethanolamineME7422421015-8.97140.012
alpha-ketoglutarate2-Oxoglutaric acidME74217851-8.97145.014
glutamineGlutamineME7422145961-7.65145.062
glutamateGlutamic acidME74221333032-8.1146.046
hydroxyglutarate2-Hydroxyglutaric acidME74222243-8.77147.03
trifluoromethanesulfonate-ME7422562758875-1.92148.953
xyluloseXyluloseME7422665289590-5.11149.046
histidineHistidineME7422216274-7.35154.062
orotateOrotic acidME7422341492348-4.99155.01
dihydroorotate4,5-Dihydroorotic acidME7421985461056-5.7157.025
xylonic acidXylonic acidME7422656602431-6.81165.04
quinolinic acidQuinolinic acidME7422451066-3.89166.015
phosphoenolpyruvatePhosphoenolpyruvic acidME7422391005-10.55166.975
uric acidUric acidME7422621175-6.81167.021
dihydroxyacetone-phosphateDihydroxyacetone phosphateME742199668-8.82168.991
glyceraldehyde-3-phosphateGlyceraldehyde 3-phosphateME742215729-9.42168.991
glycerol-3-phosphatesn-Glycero-3-phosphateME742216754-8.56171.006
cis-aconitatecis-Aconitic acidME742189643757-10.87173.009
ascorbateVitamin CME74218254670067-7.62175.025
carbamoyl-aspartateCarbamoylaspartateME742186279-9.91175.036
fructoseFructoseME7422032723872-6.74179.056
glucoseGlucoseME7422115793-7.35179.056
tyrosineTyrosineME7422586057-6.24180.067
sorbitolSorbitolME7422525780-6.86181.072
phosphoserinePhosphoserineME74224368841-9.7184.002
phosphoglyceratePhosphoglyceric acidME742240439183-10.12184.986
N-acetylglutamateN-Acetylglutamic acidME74223170914-8.06188.056
citrate / isocitrateCitric acid/Isocitric acidME742190311-11.02191.02
lauric acidLauric acidME7422273893-1.65199.17
tryptophanTryptophanME7422576305-5.24203.083
phosphocreatinePhosphocreatineME7422389548602-8.77210.029
myristic acidMyristic acidME74222911005-1.61227.202
phosphoribosylaminePhosphoribosylamineME742241150-9.02228.028
rib/ribul/xylul-ose-phosphate-ME742246439190-9.07229.012
S-(2-Succinyl)-L-cysteine-ME742248--10.39236.023
cystineCystineME742195595-8.82239.017
cytidineCytidineME7421966175-5.49242.078
palmitic acidPalmitic acidME742235985-1.56255.233
AICARAICARME74217790471726-12.85257.089
fructose-1-phosphateFructose 1-phosphateME74220565246-8.68259.022
fructose-6-phosphateFructose 6-phosphateME74220669507-9.37259.022
glucose-6-phosphateGlucose 6-phosphateME7422125958-9.96259.022
inosineInosineME742225135398641-4.99267.073
6-phosphogluconic acid6-Phosphogluconic acidME74217391493-10.82275.017
saccharopineSaccharopineME742249160556-8.87275.125
oleic acidOleic acidME742233445639-1.56281.249
guanosineGuanosineME742220135398635-6.08282.084
stearic acidStearic acidME7422535281-1.56283.264
GARGARME742209160913-6.91285.049
sedoheptulose-7-phosphateSedoheptulose 7-phosphateME74225122833559-9.48289.033
argininosuccinateArgininosuccinic acidME742181439998-9.7289.115
phosphatidylethanolamine-ME7422375327011-8.82298.07
N-acetylglucosamine-phosphateN-Acetyl-glucosamine 6-phosphateME742230439219-8.45300.049
GSHGlutathioneME742217124886-7.51306.077
arachidic acidArachidic acidME74218010467-1.52311.296
FGARFGARME742202130805-8.74313.044
dTMPdTMPME7422009700-6.98321.049
CMPCMPME7421916131-8.71322.045
UMPUMPME7422616030-8.69323.029
CAIRCAIRME742185165388-3.93338.039
fructose-1;6-bisphosphate-ME74220410267-11.18338.989
AMPAMPME7421796083-6.98346.056
IMPIMPME742224135398640-8.84347.04
XMPXMPME74226410287649-10.97363.035
S-adenosyl-homocysteineS-AdenosylhomocysteineME742250439155-6.59383.114
CDPCDPME7421876132-10.18402.011
S-(1;2-Dicarboxyethyl)glutathione-ME742247329770102-11.45422.087
ADPADPME7421766022-8.77426.022
GDPGDPME742210135398619-10.87442.017
CDP-ethanolamineCDP-EthanolamineME742188123727-9.43445.053
adenylosuccinic acidAdenylsuccinic acidME742175447145-11.29462.067
dCTPdCTPME74219765091-10.36465.982
dTTPdTTPME74220164968-9.36480.982
CTPCTPME7421936176-11.22481.977
UTPUTPME7422636133-10.87482.961
ATPATPME7421845957-9.8505.988
GTPGTPME742219135398633-11.82521.983
UDP-glucuronic acidUDP-glucuronic acidME74225917473-11.78579.027
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME742260445675-8.77606.074
GSSGOxidized glutathioneME74221865359-10.55611.145
NADHNADHME742232439153-7.44664.118
CoACoenzyme AME74219287642-7.76766.108
acetyl-CoAAcetyl-CoAME742174444493-6.75808.119
pyruvatePyruvic acidME7422441060-3.5887.009
lactateLactic acidME742226612-4.4189.024
phosphatePhosphoric acidME7422361004-7.1196.97


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