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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
ATP / dGTP-ME582760-C00002 / C00286--
NAD+NADME582886-C00003--
NADHNADHME582887-C00004--
NADPHNADPHME582889-C00005--
NADP+NADPME582888-C00006--
ADP / dGDP-ME582746-C00008 / C00361--
UDPUDPME582942-C00015--
FADFADME582816-C00016--
S-adenosyl-L-methionine+S-AdenosylmethionineME582923-C00019--
AMP / dGMP-ME582754-C00020 / C00362--
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME582922-C00021--
pyruvic acidPyruvic acidME582920-C00022--
acetyl-CoAAcetyl-CoAME582741-C00024--
a-KG2-Oxoglutaric acidME582750-C00026--
UDP-D-glucoseUDP-glucoseME582943-C00029--
GDPGDPME582826-C00035--
oxalacetic acidOxaloacetic acidME582903-C00036--
glycineGlycineME582837-C00037--
alanineAlanineME582751-C00041-C00133--
succinic acidSuccinic acidME582932-C00042--
GTPGTPME582840-C00044--
lysineLysineME582868-C00047/C00739--
glutathioneGlutathioneME582832-C00051--
CMPCMPME582775-C00055--
FMNFMNME582817-C00061--
CTPCTPME582779-C00063--
ascorbic acidVitamin CME582757-C00072--
methionineMethionineME582873-C00073--
phosphoenolpyruvatePhosphoenolpyruvic acidME582909-C00074--
UTPUTPME582950-C00075--
malonyl-CoAMalonyl-CoAME582871-C00083--
F6P / G1P / G6P-ME582815-C00085 / C00103 / C00092--
ureaUreaME582947-C00086--
succinyl-CoASuccinyl-CoAME582933-C00091--
fructose / mannose-ME582819-C00095 / C00159--
b-alaninebeta-AlanineME582761-C00099--
IDPIDPME582853-C00104--
UMPUMPME582945-C00105--
uracilUracilME582946-C00106--
2-oxobutanoic acid3-Methyl pyruvic acidME582711-C00109--
CDPCDPME582767-C00112--
choline+CholineME582770-C00114--
GAP / DHAP-ME582825-C00118 / C00111--
PRPPPhosphoribosyl pyrophosphateME582914-C00119--
fumaric acidFumaric acidME582820-C00122--
galactose / glucose-ME582823-C00124 / C00267--
glutathione disulfideOxidized glutathioneME582833-C00127--
IMPIMPME582855-C00130--
dATPdATPME582789-C00131--
putrescinePutrescineME582916-C00134--
2-keto-isovaleric acidKetoisovaleric acidME582708-C00141--
GMPGMPME582839-C00144--
adenineAdenineME582743-C00147--
nicotinamideNiacinamideME582892-C00153--
citrate / citrate(iso)-ME582773-C00158 / C00311--
propionic acidPropionic acidME582913-C00163--
acetoacetic acid / succinic semialdehyde-ME582739-C00164 / C00232--
carbamoyl phosphateCarbamoylphosphateME582765-C00169--
5'-methylthioadenosine5'-MethylthioadenosineME582733-C00170--
thymineThymineME582937-C00178--
agmatineAgmatineME582748-C00179--
glucono-lactoneGluconolactoneME582828-C00198--
UDP-N-acetyl-galactosamine/UDP-N-acetyl-glucosamin...-ME582944-C00203 / C00043--
dADPdADPME582786-C00206--
adenosineAdenosineME582744-C00212--
sarcosineSarcosineME582926-C00213--
thymidineThymidineME582936-C00214--
1,3-bisphospho-D-glycerate3-Phospho-D-glyceroyl dihydrogen phosphateME582699-C00236--
dCMPdCMPME582791-C00239--
guanineGuanineME582843-C00242--
taurineTaurineME582934-C00245--
butyric acidButyric acidME582763-C00246--
nicotinic acidNicotinic acidME582894-C00253--
glyceric acidGlyceric acidME582835-C00258--
hypoxanthineHypoxanthineME582851-C00262--
homoserine / theronine-ME582849-C00263 / C00188--
D-erythrose-4-phosphateErythrose 4-phosphateME582797-C00279--
inosineInosineME582856-C00294--
orotic acidOrotic acidME582901-C00295--
uridineUridineME582949-C00299--
creatineCreatineME582777-C00300--
glutaminic acidGlutamic acidME582831-C00302--
glutamineGlutamineME582830-C00303--
CDP-cholineCDP-cholineME582768-C00307--
pyridoxinePyridoxineME582917-C00314--
spermidineSpermidineME582930-C00315--
2-oxoadipic acidOxoadipic acidME582710-C00322--
GDP-L-fucoseGDP-L-fucoseME582827-C00325--
citrullineCitrullineME582774-C00327--
deoxyguanosineDeoxyguanosineME582794-C00330--
GABAgamma-Aminobutyric acidME582821-C00334--
dihydroorotate4,5-Dihydroorotic acidME582800-C00337--
6-phosphogluconic acid6-Phosphogluconic acidME582737-C00345--
F-1,6/2,6-DP-ME582813-C00354 / C00665--
DL-DOPADOPAME582802-C00355--
dAMPdAMPME582787-C00360--
dTMPdTMPME582807-C00364--
dUMPdUMPME582809-C00365--
uric acidUric acidME582948-C00366--
thiamine+ThiamineME582935-C00378--
cytosineCytosineME582785-C00380--
xanthineXanthineME582952-C00385--
guanosineGuanosineME582844-C00387--
histamineHistamineME582846-C00388--
tryptamineTryptamineME582938-C00398--
aconitic acidcis-Aconitic acidME582742-C00417-C02341--
mevalonic acidMevalonic acidME582877-C00418--
N-carbamoyl-L-aspartateCarbamoylaspartateME582890-C00438--
5-methyl-THF5-Methyl-THFME582732-C00440--
NMNNicotinamide ribotideME582896-C00455--
dCTPdCTPME582792-C00458--
dTTPdTTPME582808-C00459--
dUTPdUTPME582810-C00460--
cytidineCytidineME582784-C00475--
tyramineTyramineME582940-C00483--
carnitine+CarnitineME582766-C00487--
itaconic acidItaconic acidME582858-C00490--
ADP-D-glucoseADP-glucoseME582747-C00498--
folic acidFolic acidME582818-C00504--
L-cysteic acidCysteic acidME582863-C00506--
deoxyuridineDeoxyuridineME582796-C00526--
cystathionineCystathionineME582780-C00542--
methylglyoxalPyruvaldehydeME582875-C00546--
norepinephrineNorepinephrineME582897-C00547--
guanidinoacetateGuanidoacetic acidME582842-C00581--
phosphorylcholine+Choline phosphateME582910-C00588--
N1/N8-acetylspermidine-ME582878-C00612 / C01029--
D-ribose-1/5-phosphate / D-ribulose 5-phosphate-ME582805-C00620 / C00117 / C00199--
N-acetyl-L-glutamic acidN-Acetyl-mannosamineME582885-C00624--
2- / 3-phosphoglyceratePhosphoglyceric acidME582702-C00631 / C00197--
3-hydroxy-anthranilic acid3-Hydroxyanthranilic acidME582718-C00632--
D-arabinono-1,4-lactoneD-Arabinono-1,4-lactoneME582788-C00652--
XMPXMPME582955-C00655--
y-glutamylcysteinegamma-GlutamylcysteineME582956-C00669--
dCDPdCDPME582790-C00705--
malic acidMalic acidME582870-C00711--
serineSerineME582927-C00716--
betaineBetaineME582762-C00719--
cortisolCortisolME582776-C00735--
cysteineCysteineME582781-C00736-C00097--
spermineSpermineME582931-C00750--
histidineHistidineME582847-C00768--
serotoninSerotoninME582928-C00780--
epinephrineEpinephrineME582811-C00788--
creatinineCreatinineME582778-C00791--
sorbitol / galactitol / L-iditol / manitol-ME582929-C00794 / C01697 / C01507 / C00392--
tryptophanTryptophanME582939-C00806--
citramalic acidCitramalic acidME582772-C00815--
ethyl acetateEthyl acetateME582812-C00849--
pantothenic acidPantothenic acidME582904-C00864--
D-galactonic acid / D-gluconic acid-ME582798-C00880 / C00257--
cGMP3',5' cyclic GMPME582769-C00943--
O-acetyl-L-serineO-AcetylserineME582898-C00979--
3-phospho-serinePhosphoserineME582723-C01005--
3-hydroxypropanoic acidHydroxypropionic acidME582720-C01013--
dimethylglycineDimethylglycineME582801-C01026--
gulonic-lactoneL-GulonolactoneME582845-C01040--
N-acetylaspartic acidN-Acetylaspartic acidME582879-C01042--
GalNAC/GlcNAC/ManNAC-ME582824-C01074 / C00140 / C00645--
3- / 4 -hydroxybutanoic acid-ME582712-C01089 / C00989--
F1PFructose 1-phosphateME582814-C01094--
orotidylic acidOrotidylic acidME582902-C01103--
S-adenosylmethioninamine+S-AdenosylmethioninamineME582924-C01137--
4-hydroxyproline / 5-aminolevulinate / N-acetyl-b-...-ME582726-C01157 / C00430 / C01073--
2,3-bisphospho-D-glycerate2,3-Diphosphoglyceric acidME582704-C01159-C03339--
DOPAC3,4-Dihydroxybenzeneacetic acidME582803-C01161--
4-hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME582725-C01179--
4-trimethylammoniobutanoate+3-DehydroxycarnitineME582728-C01181--
6-phosphoglucono-D-lactone6-Phosphonoglucono-D-lactoneME582738-C01236--
maleic acidMaleic acidME582869-C01384--
cystineCystineME582783-C01420--
lactic acidLactic acidME582861-C01432--
tyrosineTyrosineME582941-C01536--
allantoinAllantoinME582753-C01551--
ornithineOrnithineME582900-C01602--
kynurenic acidKynurenic acidME582859-C01717--
kynurenineKynurenineME582860-C01718--
mesaconic acidMesaconic acidME582872-C01732--
nebularineNebularineME582891-C01736--
xanthosineXanthosineME582953-C01762--
pyroglutamic acidPyroglutamic acidME582918-C01879-C02237--
acetylcholine+AcetylcholineME582740-C01996--
glycylglycineGly-GlyME582838-C02037--
phenylalaninePhenylalanineME582906-C02057--
pseudouridinePseudouridineME582915-C02067--
methylmalonic acidMethylmalonic acidME582876-C02170--
glutaconic acidGlutaconic acidME582829-C02214--
citraconic acidCitraconic acidME582771-C02226--
3- / 7-methylguanine-ME582714-C02230 / C02242--
2-aminobutanoate / 2-aminoisobutanoate-ME582705-C02261 / C03665--
galactosamine / glucosamine-ME582822-C02262 / C00329--
phosphocreatinePhosphocreatineME582908-C02305--
5-methylcytosine5-MethylcytosineME582731-C02376--
6-aminocaproic acid6-Aminocaproic acidME582734-C02378--
arginineArginineME582756-C02385--
glyceraldehydeGlyceraldehydeME582834-C02426--
1-phenylethylamine-ME582701-C02455--
xanthurenic acidXanthurenic acidME582954-C02470--
2-HG2-Hydroxyglutaric acidME582706-C02630--
butyric acid(iso)-ME582764-C02632--
3-ureidopropionic acidUreidopropionic acidME582724-C02642--
3-hydroxykynurenineHydroxykynurenineME582719-C02794--
imidazole-4-acetateImidazoleacetic acidME582854-C02835--
1-methylnicotinamide+1-Methyl nicotinamideME582700-C02918--
glycerol 2/3-phosphate-ME582836-C02979 / C00093--
nicotinamide riboside+Nicotinamide ribosideME582893-C03150--
3-phosphohydroxypyruvic acidPhosphohydroxypyruvic acidME582722-C03232--
L-tyrosine methyl esterMethyl tyrosinateME582867-C03404--
L-arginino-succinateArgininosuccinic acidME582862-C03406--
4-phosphopantothenate(R)-4'-Phosphopantothenic acidME582727-C03492--
hydroxyphenyllactic acid / HVA-ME582850-C03672 / C05582--
quinolinic acidQuinolinic acidME582921-C03722--
(S)-4-hydroxymandelonitrile4-HydroxymandelonitrileME582698-C03742--
dopamineDopamineME582804-C03758--
D-galactosamine/glucosamine-1/6-phosphate-ME582799-C03783 / C00352 / C06377 / C06156--
adenylosuccinateAdenylsuccinic acidME582745-C03794--
L-NMMATarginineME582866-C03884--
octopamineOctopamineME582899-C04227--
pyrroline hydroxycarboxylic acidPyrroline hydroxycarboxylic acidME582919-C04281--
N-acetylglucosamine 1/6-phosphate-ME582884-C04501 / C00357--
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine-ME582703-C04640--
AICA ribonucleotideAICARME582749-C04677--
SAICARSAICARME582925-C04823--
3-aminoisobutanoate3-Aminoisobutanoic acidME582717-C05145--
homocysteineHomocysteineME582848-C05330--
phenethylaminePhenylethylamineME582905-C05332--
D-sedoheptulose-7-phosphateD-Sedoheptulose 7-phosphateME582806-C05382--
dehydroascorbic acidL-Dehydroascorbic acidME582793-C05422--
deoxyinosineDeoxyinosineME582795-C05512--
5,6-dihydroxyindole-ME582729-C05578--
3,4-dihydroxymandelic acid3,4-Dihydroxymandelic acidME582715-C05580--
3-methoxytyramine3-MethoxytyramineME582721-C05587--
3- / 4-hydroxyphenylacetic acid / vanillin /-ME582713-C05593 / C00642 / C00755--
5-HIAA5-Hydroxyindoleacetic acidME582730-C05635--
cysteine-S-sulfateCysteine-S-sulfateME582782-C05824--
2-hydroxybutanoic acid2-Hydroxybutyric acidME582707-C05984--
N-methyltryptamineN-MethyltryptamineME582895-C06213--
2-ketovaleric acid-ME582709-C06255--
phenylephrine / synephrine-ME582907-C07441 / C04548--
picolinic acidPicolinic acidME582911-C10164--
3,4-dihydroxyphenylpropanoate3,4-Dihydroxyhydrocinnamic acidME582716-C10447--
anandamideArachidonoyl-EAME582755-C11695--
N-acetylaspartylglutamic acidN-Acetyl-Asp-GluME582880-C12270--
aspartic acidAspartic acidME582759-C16433--
prolineProlineME582912-C16435--
valineValineME582951-C16436--
asparagineAsparagineME582758-C16438--
leucine / leucine(iso)-ME582864-C16439 / C16434--
guanidineAgmatineME582841-C17349--
IDAIminodiacetateME582852-C19911--
isonictinic acid-ME582857-C6H5NO2--
6-methylnicotinamide-ME582735-n/a--
6-O-methylguanine-ME582736-n/a--
alanine methyl ester-ME582752-n/a--
levulinic acidLevulinic acidME582865-n/a--
methyl acetoacetateMethylacetoacetic acidME582874-n/a--
N-acetyl-DL-alanine-ME582881-n/a--
N-acetyl-DL-serineN-AcetylserineME582882-n/a--
N-acetyl-dopamine-ME582883-n/a--


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