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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
NADP+NADPME7468545886-10.03744.083
N-trimethyllysineN-6-TrimethyllysineME746856440121-10.57189.16
ornithineOrnithineME7468576262-10.95133.097
lysineLysineME7468505962-11.92147.113
arginineArginineME7468266322-12.3175.119
5'-methylthioadenosine5'-MethylthioadenosineME746820439176-2.5298.097
kynurenic acidKynurenic acidME7468463845-2.62190.05
nicotinamideNiacinamideME746855936-2.71123.055
riboflavinRiboflavinME746862493570-3.19377.146
adenosineAdenosineME74682360961-3.51268.104
adenineAdenineME746822190-3.72136.062
creatinineCreatinineME746834588-3.88114.066
propionyl-carnitineCAR 3:0ME746861107738-3.88218.139
hypoxanthineHypoxanthineME746843135398638-3.94137.046
phenylalaninePhenylalanineME7468586140-4.04166.086
kynurenineKynurenineME746847846-4.12209.092
dihydrourocanate-ME74683770630-4.15141.066
leucine / isoleucineLeucine/IsoleucineME7468496306-4.67132.102
acetyl-carnitineCAR 2:0ME7468217045767-4.7204.123
betaineBetaineME746828247-4.86118.086
guanineGuanineME746841135398634-4.96152.057
methionineMethionineME7468516137-4.96150.058
urocanateUrocanic acidME746867736715-5.28139.05
imidazolepyruvate-ME74684519604680-5.31155.045
valineValineME7468686287-5.54118.086
imidazoleacetateImidazoleacetic acidME74684496215-5.6127.05
prolineProlineME746860614-5.87116.071
carnitineCarnitineME746829288-6.23162.112
gamma-butyrobetaine3-DehydroxycarnitineME746838725-6.28146.118
methioninesulfoxideMethionine sulfoxideME746852158980-6.28166.053
L-2-aminobutyric acid2S-Aminobutyric acidME74684880283-6.41104.071
threonineThreonineME7468666288-6.89120.066
AIRAIRME746824161500-7.09296.064
glycerophosphocholinesn-Glycero-3-phosphocholineME746839657272-7.16258.11
alanineAlanineME7468255950-7.2190.055
creatineCreatineME746833586-7.21132.077
asparagineAsparagineME7468276267-7.57133.061
NAD+NADME7468535892-7.68664.116
sarcosineSarcosineME7468641088-7.7390.055
serineSerineME7468655951-7.84106.05
glycineGlycineME746840750-7.8976.039
citrullineCitrullineME7468329750-8.04176.103
phosphocholineCholine phosphateME7468591014-8.19184.074
S-adenosyl-methionineS-AdenosylmethionineME74686334756-8.19399.145
CDP-cholineCDP-cholineME74683013804-8.54489.115
cystathionineCystathionineME746835834-9.09223.075
cholineCholineME746831305-9.2104.107
3-hydroxy-trimethyllysine-ME746819439460-9.36205.155
cysteine-glutathione disulfideS-Glutathionyl-cysteineME7468363080690-9.86427.095
histamineHistamineME746842774-9.88112.087


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
CDPCDPME7468876132-10.21402.011
NADPHNADPHME7469345884-10.35744.084
phosphoenolpyruvatePhosphoenolpyruvic acidME7469411005-10.43166.975
GSSGOxidized glutathioneME74692065359-10.54611.145
6-phosphogluconic acid6-Phosphogluconic acidME74687191493-10.71275.017
cis-aconitatecis-Aconitic acidME746890643757-10.71173.009
citrate / isocitrateCitric acid/Isocitric acidME746891311-10.71191.02
GDPGDPME746911135398619-10.82442.017
UTPUTPME7469706133-10.82482.961
fructose-1;6-bisphosphate-ME74690610267-11.03338.989
glyceraldehyde-3-phosphateGlyceraldehyde 3-phosphateME746916729-11.09168.991
CTPCTPME7468946176-11.2481.977
adenylosuccinic acidAdenylsuccinic acidME746873447145-11.31462.067
UDP-glucuronic acidUDP-glucuronic acidME74696417473-11.72579.027
GTPGTPME746921135398633-11.83521.983
SAICARSAICARME746951160666-12.13453.066
arachidic acidArachidic acidME74687910467-1.68311.296
oleic acidOleic acidME746935445639-1.68281.249
palmitic acidPalmitic acidME746937985-1.68255.233
stearic acidStearic acidME7469545281-1.68283.264
myristic acidMyristic acidME74693011005-1.72227.202
lauric acidLauric acidME7469283893-1.77199.17
trifluoromethanesulfonate-ME7469602758875-1.95148.953
deoxycholic acidDeoxycholic acidME746898222528-2391.285
taurocholic acidTaurocholic acidME7469576675-2.06514.284
cholic acidCholic acidME746889221493-2.12407.28
caproic acidCaproic acidME7468858892-2.16115.076
3-methyl-2-oxobutyrateKetoisovaleric acidME74686949-2.37115.04
valeric acid isomersValeric acidME7469717991-2.43101.061
thymidineThymidineME7469585789-2.69241.083
thymineThymineME7469591135-2.69125.036
butyric acidButyric acidME746884264-2.9787.0452
anthranilic acid2-Aminobenzoic acidME746878227-3.35136.04
uracilUracilME7469671174-3.38111.02
pyruvatePyruvic acidME7469461060-3.4987.009
quinolinic acidQuinolinic acidME7469471066-3.86166.015
deoxyinosineDeoxyinosineME746899135398593-3.91251.079
propionic acidPropionic acidME7469451032-3.9173.0295
uridineUridineME7469696029-4.07243.062
lactateLactic acidME746927612-4.2389.024
orotateOrotic acidME7469361492348-4.83155.01
xyluloseXyluloseME7469745289590-4.93149.046
tryptophanTryptophanME7469616305-5.04203.083
cytidineCytidineME7468976175-5.37242.078
dihydroorotate4,5-Dihydroorotic acidME7469005461056-5.46157.025
xanthineXanthineME7469721188-5.57151.026
guanosineGuanosineME746922135398635-5.89282.084
tyrosineTyrosineME7469626057-6180.067
fructoseFructoseME7469052723872-6.26179.056
S-adenosyl-homocysteineS-AdenosylhomocysteineME746950439155-6.47383.114
uric acidUric acidME7469681175-6.47167.021
phosphatePhosphoric acidME7469381004-6.5896.97
sorbitolSorbitolME7469535780-6.58181.072
xylonic acidXylonic acidME7469736602431-6.65165.04
acetyl-CoAAcetyl-CoAME746872444493-6.86808.119
dTMPdTMPME7469029700-6.97321.049
glucoseGlucoseME7469125793-7.02179.056
histidineHistidineME7469236274-7.02154.062
taurineTaurineME7469561123-7.28124.007
hypotaurineHypotaurineME746925107812-7.38108.012
ascorbateVitamin CME74688154670067-7.39175.025
glutamineGlutamineME7469155961-7.44145.062
NADHNADHME746933439153-7.44664.118
AMPAMPME7468776083-7.6346.056
CoACoenzyme AME74689387642-7.76766.108
GSHGlutathioneME746919124886-7.86306.077
N-acetylglutamateN-Acetylglutamic acidME74693270914-7.86188.056
4-aminobutyrategamma-Aminobutyric acidME746870119-8.01102.056
glutamateGlutamic acidME74691433032-8.01146.046
AICARAICARME74687590471726-8.04337.059
aspartateAspartic acidME7468825960-8.21132.03
N-acetylglucosamine-phosphateN-Acetyl-glucosamine 6-phosphateME746931439219-8.42300.049
glycerol-3-phosphatesn-Glycero-3-phosphateME746917754-8.48171.006
rib/ribul/xylul-ose-phosphate-ME746948439190-8.63229.012
fructose-1-phosphateFructose 1-phosphateME74690765246-8.64259.022
UMPUMPME7469666030-8.64323.029
cystineCystineME746896595-8.67239.017
hydroxyglutarate2-Hydroxyglutaric acidME74692443-8.7147.03
phosphocreatinePhosphocreatineME7469409548602-8.7210.029
succinateSuccinic acidME7469551110-8.7117.019
cysteineCysteineME7468955862-8.71120.012
dihydroxyacetone-phosphateDihydroxyacetone phosphateME746901668-8.75168.991
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME746965445675-8.75606.074
ADPADPME7468746022-8.8426.022
CMPCMPME7468926131-8.8322.045
phosphatidylethanolamine-ME7469395327011-8.8298.07
saccharopineSaccharopineME746949160556-8.8275.125
alpha-ketoglutarate2-Oxoglutaric acidME74687651-8.9145.014
phosphorylethanolaminePhosphoethanolamineME7469431015-8.9140.012
IMPIMPME746926135398640-8.96347.04
fructose-6-phosphateFructose 6-phosphateME74690869507-9.17259.022
fumarateFumaric acidME746909444972-9.23115.004
malateMalic acidME746929525-9.28133.014
CDP-ethanolamineCDP-EthanolamineME746888123727-9.33445.053
dTTPdTTPME74690364968-9.5480.982
GARGARME746910160913-9.55285.049
sedoheptulose-7-phosphateSedoheptulose 7-phosphateME74695222833559-9.55289.033
argininosuccinateArgininosuccinic acidME746880439998-9.61289.115
phosphoserinePhosphoserineME74694468841-9.61184.002
carbamoyl-aspartateCarbamoylaspartateME746886279-9.72175.036
erythrose-4-phosphateErythrose 4-phosphateME746904122357-9.76199.001
GMPGMPME746918135398631-9.78362.051
UDPUDPME7469636031-9.78402.995
ATPATPME7468835957-9.83505.988
glucose-6-phosphateGlucose 6-phosphateME7469135958-9.89259.022
phosphoglyceratePhosphoglyceric acidME746942439183-9.94184.986


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