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


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


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