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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
"1,7-Dimethylxanthine"ParaxanthineME5414354687C13747--
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME541436535C01234--
1-Methyladenosine1-MethyladenosineME54143727476C02494--
1-Methylhistidine1-MethylhistidineME54143892105C01152--
1-Methylnicotinamide1-Methyl nicotinamideME541439457C02918--
2-Aminoisobutyric acidAminoisobutyric acidME5414406119C03665--
2-Methylbutyryl-L-CarnitineCAR 4:0;2MeME5414416426901NA--
2-quinolinecarboxylic acidQuinaldic acidME5414427124C06325--
5-aminovaleric acid betaineN,N,N-trimethyl-5-aminovalerateME54144314274897NA--
AcetoacetateAcetoacetic acidME54144496C00164--
Acetyl-L-CarnitineCAR 2:0ME5414457045767C02571--
AdenineAdenineME541446190C00147--
Alanine betaineStachydrineME5414477016563C10172--
ArginineArginineME5414486322C00062--
Asparagine butyl ester-ME54144913783308NA--
Benzoic acidBenzoic acidME541450243C00539--
BetaineBetaineME541451247C00719--
BilirubinBilirubinME54145221252250C00486--
BiliverdinBiliverdinME5414535353439C00500--
Butyryl-L-CarnitineCAR 4:0ME541454439829C02862--
CarnitineCarnitineME5414552724480C00318--
CholineCholineME541456305C00114--
CitrullineCitrullineME5414579750C00327--
CreatineCreatineME541458586C00300--
CreatinineCreatinineME541459588C00791--
CytosineCytosineME541460597C00380--
Decanoyl-L-CarnitineCAR 10:0ME54146110245190NA--
DimethylglycineDimethylglycineME541462673C01026--
EthanolamineEthanolamineME541463700C00189--
Glutamic acidGlutamic acidME54146433032C00025--
Glutamic acid gamma methyl esterGlutamic acid gamma-methyl esterME54146568662NA--
GlutamineGlutamineME5414665961C00064--
GlycineGlycineME541467750C00037--
Guanidineacetic acidGuanidoacetic acidME541468763C00581--
Hexanoyl-L-CarnitineCAR 6:0ME5414693246938NA--
Hippuric acidHippuric acidME541470464C01586--
HistamineHistamineME541471774C00388--
HistidineHistidineME5414726274C00135--
HomoarginineHomoarginineME5414739085C01924--
HypoxanthineHypoxanthineME541474790C00262--
IndoleIndoleME541475798C00463--
Isobutyryl-L-CarnitineCAR 3:0;2MeME541476168379NA--
IsoleucineIsoleucineME5414776306C00407--
Isovaleryl-L-CarnitineCAR 4:0;3MeME5414786426851NA--
Kynurenic acidKynurenic acidME5414793845C01717--
Lauroyl-L-CarnitineCAR 12:0ME541480168381NA--
L-beta-Homoproline-ME541481123784NA--
LeucineLeucineME5414826106C00123--
MethionineMethionineME5414836137C00073--
Myristoyl-L-CarnitineCAR 14:0ME54148453477791NA--
N-Acetyl-L-lysineN(2)-AcetyllysineME541486192590C12989--
N-epsilon-AcetyllysineN6-AcetyllysineME54148792832C02727--
NicotinamideNiacinamideME541488936C00153--
"N,N,N-Trimethyllysine"N-6-TrimethyllysineME541485440121C03793--
Octanoyl-L-CarnitineCAR 8:0ME54148911953814C02838--
OrnithineOrnithineME5414906262C00077--
Palmitoyl-L-CarnitineCAR 16:0ME54149111953816C02990--
PhenylalaninePhenylalanineME5414926140C00079--
Pipecolic acidPipecolic acidME541493849C00408--
ProlineProlineME541494145742C00148--
Propionyl-L-CarnitineCAR 3:0ME541495107738C03017--
PutrescinePutrescineME5414961045C00134--
PyrimidinePyrimidineME5414979260C00396--
Pyroglutamic acidPyroglutamic acidME5414987405C01879--
SerineSerineME5414995951C00716--
TaurineTaurineME5415001123C00245--
TheophyllineTheophyllineME5415012153C07130--
ThreonineThreonineME5415026288C00188--
ThymineThymineME5415031135C00178--
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME5415045810C01157--
TrigonellineTrigonellineME5415055570C01004--
TyrosineTyrosineME5415066057C00082--
UracilUracilME5415071174C00106--
UreaUreaME5415082447C00086--
Urocanic acidUrocanic acidME541509736715C00785--
ValineValineME5415106287C00183--


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
"2,3-Dihydroxybenzoic acid"2-Pyrocatechuic acidME54153519C00196--
2-Aminoadipic acidalpha-Aminoadipic acidME541564469C00956--
2-Deoxy-D-glucose2-Deoxy-glucoseME541537108223NA--
2-Hydroxybutyric acid2-Hydroxybutyric acidME54152211266C05984--
2-Hydroxyglutarate2-Hydroxyglutaric acidME54154943C02630--
2-Ketoglutaric acid2-Oxoglutaric acidME54154651C00026--
"3,4-Dihydroxybenzoic acid"Protocatechuic acidME54153672C00230--
3-Guanidinopropionic acid3-Guanidinopropanoic acidME54151467701C03065--
3-Hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME5415601662C03761--
3-Hydroxybutyric acid3-Hydroxybutyric acidME541524441C01089--
3-Hydroxyisobutyric acid3-Hydroxyisobutyric acidME54152387C06001--
3-Indolepropionic acid3-Indolepropionic acidME5415423744NA--
3-Indoxyl sulfateIndoxyl sulfateME54154310258NA--
3-Methoxy-L-tyrosine3-MethoxytyrosineME5415591670NA--
3-Methylglutaric acidMethylglutaric acidME54155012284NA--
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME541529135C00156--
4-Pyridoxic acid4-Pyridoxic acidME5415416723C00847--
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME5415191826C05635--
Ascorbic acidVitamin CME54153854670067C01041--
AsparagineAsparagineME5415656267C00152--
Aspartic acidAspartic acidME5415665960C00049--
Azelaic acidAzelaic acidME5415402266C08261--
Citraconic acidCitraconic acidME541531643798C02226--
Citric acidCitric acidME541562311C00158--
CystineCystineME54156867678C00491--
Docosahexaenoic acid(DHA)DHAME541544445580C06429--
Dulcitol/MANNITOLMannitolME5415176251C00392--
Fumaric acidFumaric acidME541553444972C00122--
GluconateGluconic acidME54155810690C00257--
Glucuronic acidGlucuronic acidME54155794715C00191--
Glutamic acidGlutamic acidME54151233032C00025--
GlutamineGlutamineME5415135961C00064--
Glyceric acidGlyceric acidME541527439194C00258--
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME54153212310288NA--
Isocitric acidIsocitric acidME5415631198C00311--
KynurenineKynurenineME541516161166C00328--
Lactic acidLactic acidME54152661503C00186--
Malic acidMalic acidME541552525C03668--
Mandelic acidMandelic acidME541534439616C01984--
Myo-inositol/FructoseMyo-inositolME541520892C00137--
N-AcetylglycineN-AcetylglycineME54154710972NA--
N-Acetyl-L-alanineN-AcetylalanineME54152888064NA--
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME54156765065C01042--
N-Acetyl-methionineN-AcetylmethionineME5415186180C02712--
N-Acetylneuraminic acidN-Acetylneuraminic acidME541551445063C19910--
N-Acetyl-serineN-AcetylserineME54155565249NA--
N-Formyl-L-methionineN-FormylmethionineME5415396995182C03145--
Pantothenic acidPantothenic acidME5415216613C00864--
Pregnenolone sulfatePregnenolone sulfateME54154520845972NA--
PropionatePropionic acidME5415251032C00163--
Pyroglutamic acidPyroglutamic acidME5415487405C01879--
Pyruvic acidPyruvic acidME5415111060C00022--
Quinic acidQuinic acidME5415566508C00296--
Salicylic acidSalicylic acidME541530338C00805--
Succinic acidSuccinic acidME5415541110C00042--
trans-Aconitic acidtrans-Aconitic acidME541561643757C00417--
TryptophanTryptophanME5415156305C00078--
Uric acidUric acidME5415331175C00366--


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