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


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


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