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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
1-methylnicotinamide1-Methyl nicotinamideME746225457-3.87137.072
3-hydroxy-trimethyllysine-ME746226439460-9.39205.155
5'-methylthioadenosine5'-MethylthioadenosineME746227439176-2.33298.097
acetyl-carnitineCAR 2:0ME7462287045767-4.67204.123
adenosineAdenosineME74622960961-3.46268.104
AIRAIRME746230161500-7.2296.064
alanineAlanineME7462315950-7.3690.055
arginineArginineME7462326322-12.59175.119
asparagineAsparagineME7462336267-7.78133.061
aspartate-pos-ME7462345960-8.42134.0448
betaineBetaineME746235247-4.88118.086
caffeineCaffeineME7462362519-2195.088
carnitineCarnitineME746237288-6.3162.112
CDP-cholineCDP-cholineME74623813804-8.42489.115
cholineCholineME746239305-9.24104.107
citrullineCitrullineME7462409750-8.34176.103
creatineCreatineME746241586-7.36132.077
creatinineCreatinineME746242588-3.88114.066
cystathionineCystathionineME746243834-9.19223.075
gamma-butyrobetaine3-DehydroxycarnitineME746244725-6.36146.118
glycerophosphocholinesn-Glycero-3-phosphocholineME746245657272-7.2258.11
glycineGlycineME746246750-8.0876.039
kynurenic acidKynurenic acidME7462473845-2.36190.05
kynurenineKynurenineME746248846-4.62209.092
leucine / isoleucineLeucine/IsoleucineME7462496106-4.71132.102
lysineLysineME7462505962-12.13147.113
melatoninMelatoninME746251896-1.82233.128
methionineMethionineME7462526137-5.25150.058
methioninesulfoxideMethionine sulfoxideME746253158980-6.46166.053
NAD+NADME7462545892-7.68664.116
NADP+NADPME7462555886-9.93744.083
nicotinamideNiacinamideME746256936-2.6123.055
N-trimethyllysineN-6-TrimethyllysineME746257440121-10.66189.16
ornithineOrnithineME7462586262-11.1133.097
phenylalaninePhenylalanineME7462596140-4.14166.086
phosphocholineCholine phosphateME7462601014-8.18184.074
prolineProlineME746261614-5.99116.071
propionyl-carnitineCAR 3:0ME746262107738-3.83218.139
riboflavinRiboflavinME746263493570-3.19377.146
S-adenosyl-methionineS-AdenosylmethionineME74626434756-8.23399.145
sarcosineSarcosineME7462651088-7.9490.055
serineSerineME7462665951-8.08106.05
threonineThreonineME7462676288-7.04120.066
valineValineME7462686287-5.67118.086


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
6-phosphogluconic acid6-Phosphogluconic acidME74626991493-10.75275.017
acetyl-CoAAcetyl-CoAME746270444493-6.75808.119
adenylosuccinic acidAdenylsuccinic acidME746271447145-11.23462.067
ADPADPME7462726022-8.79426.022
AICARAICARME74627390471726-12.67257.089
alpha-ketoglutarate2-Oxoglutaric acidME74627451-9.06145.014
AMPAMPME7462756083-7.65346.056
anthranilic acid2-Aminobenzoic acidME746276227-3.33136.04
arachidic acidArachidic acidME74627710467-1.52311.296
argininosuccinateArgininosuccinic acidME746278439998-9.69289.115
ascorbateVitamin CME74627954670067-7.62175.025
aspartate-neg-ME7462805960-8.42132.03
ATPATPME7462815957-9.74505.988
CAIRCAIRME746282165388-4.33338.039
carbamoyl-aspartateCarbamoylaspartateME746283279-9.91175.036
CDPCDPME7462846132-10.17402.011
CDP-ethanolamineCDP-EthanolamineME746285123727-9.36445.053
cis-aconitatecis-Aconitic acidME746286643757-10.8173.009
citrate / isocitrateCitric acid/Isocitric acidME746287311-11.02191.02
CMPCMPME7462886131-9.21322.045
CoACoenzyme AME74628987642-7.76766.108
CTPCTPME7462906176-11.12481.977
cystineCystineME746291595-8.74239.017
cytidineCytidineME7462926175-5.46242.078
dAMPdAMPME74629312599-6.83331.068
dATPdATPME74629415993-9.05489.994
dCTPdCTPME74629565091-10.36465.982
dihydroorotate4,5-Dihydroorotic acidME7462965461056-5.7157.025
dihydroxyacetone-phosphateDihydroxyacetone phosphateME746297668-8.9168.991
dTMPdTMPME7462989700-6.98321.049
dTTPdTTPME74629964968-9.36480.982
FGARFGARME746300130805-8.74313.044
fructoseFructoseME7463012723872-6.48179.056
fructose-1;6-bisphosphate-ME74630210267-11.12338.989
fructose-1-phosphateFructose 1-phosphateME74630365246-8.68259.022
fructose-6-phosphateFructose 6-phosphateME74630469507-9.24259.022
fumarateFumaric acidME746305444972-9.36115.004
GARGARME746306160913-6.92285.049
GDPGDPME746307135398619-10.85442.017
glucoseGlucoseME7463085793-7.33179.056
glucose-6-phosphateGlucose 6-phosphateME7463095958-9.94259.022
glutamateGlutamic acidME74631033032-8.16146.046
glutamineGlutamineME7463115961-7.65145.062
glyceraldehyde-3-phosphateGlyceraldehyde 3-phosphateME746312729-9.42168.991
glycerol-3-phosphatesn-Glycero-3-phosphateME746313754-8.58171.006
GMPGMPME746314135398631-9.85362.051
GSHGlutathioneME746315124886-7.96306.077
GSSGOxidized glutathioneME74631665359-10.46611.145
GTPGTPME746317135398633-11.82521.983
guanosineGuanosineME746318135398635-6.07282.084
histidineHistidineME7463196274-7.21154.062
hydroxyglutarate2-Hydroxyglutaric acidME74632043-8.85147.03
hypotaurineHypotaurineME746321107812-7.59108.012
IMPIMPME746322135398640-9.06347.04
inosineInosineME746323135398641-5267.073
lactateLactic acidME746324612-4.3789.024
lauric acidLauric acidME7463253893-1.61199.17
malateMalic acidME746326525-9.36133.014
myristic acidMyristic acidME74632711005-1.61227.202
N-acetylglucosamine-phosphateN-Acetyl-glucosamine 6-phosphateME746328439219-8.42300.049
N-acetylglutamateN-Acetylglutamic acidME74632970914-8.01188.056
NADHNADHME746330439153-7.44664.118
NADPHNADPHME7463315884-10.29744.084
oleic acidOleic acidME746332445639-1.52281.249
orotateOrotic acidME7463331492348-5.43155.01
palmitic acidPalmitic acidME746334985-1.57255.233
phosphatePhosphoric acidME7463351004-6.9796.97
phosphocreatinePhosphocreatineME7463369548602-8.74210.029
phosphoenolpyruvatePhosphoenolpyruvic acidME7463371005-10.52166.975
phosphoglyceratePhosphoglyceric acidME746338439183-10.12184.986
phosphoribosylaminePhosphoribosylamineME746339150-9.16228.028
phosphorylethanolaminePhosphoethanolamineME7463401015-8.97140.012
phosphoserinePhosphoserineME74634168841-9.64184.002
picolinic acidPicolinic acidME7463421018-3.96122.025
pyruvatePyruvic acidME7463431060-3.6487.009
quinolinic acidQuinolinic acidME7463441066-4.18166.015
rib/ribul/xylul-ose-phosphate-ME746345439190-9.16229.012
S-(1;2-Dicarboxyethyl)glutathione-ME746346329770102-11.41422.087
S-(2-Succinyl)-L-cysteine-ME746347--10.4236.023
saccharopineSaccharopineME746348160556-8.95275.125
S-adenosyl-homocysteineS-AdenosylhomocysteineME746349439155-6.54383.114
sedoheptulose-7-phosphateSedoheptulose 7-phosphateME74635022833559-9.53289.033
sorbitolSorbitolME7463515780-6.7181.072
stearic acidStearic acidME7463525281-1.57283.264
succinateSuccinic acidME7463531110-8.79117.019
taurineTaurineME7463541123-7.59124.007
trifluoromethanesulfonate-ME7463552758875-1.84148.953
tryptophanTryptophanME7463566305-5.33203.083
tyrosineTyrosineME7463576057-6.17180.067
UDPUDPME7463586031-9.74402.995
UDP-glucuronic acidUDP-glucuronic acidME74635917473-11.7579.027
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME746360445675-8.79606.074
UMPUMPME7463616030-8.69323.029
uric acidUric acidME7463621175-6.75167.021
UTPUTPME7463636133-10.8482.961
XMPXMPME74636410287649-10.96363.035
xylonic acidXylonic acidME7463656602431-7.13165.04
xyluloseXyluloseME7463665289590-5.11149.046


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