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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
1,5-Anhydro-D-glucitol1,5-AnhydrosorbitolME399809--6.358Reference-176
16-Hydroxyhexadecanoic acidJuniperic acidME399810--1.328Reference-2551
1-Methylhistidine1-MethylhistidineME39981192105C011527.117Reference-125
1-Methylnicotinamide1-Methyl nicotinamideME399812457C0291812.826Reference-138
2,4-Dihydroxybenzoic acid-ME3998131491-1.597Reference-156
2-Furoylglycine2-FuroylglycineME39981421863-2.82Reference-3104
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME39981599823-2.684-
2-Hydroxy-3-methylbutyric acid_22-Hydroxy-3-methylbutyric acidME399816--1.853-
2-Hydroxybenzothiazole-ME399817--1.921Reference-3040
2-Hydroxycinnamic acid2-Hydroxycinnamic acidME399818637540C017727.591Reference-168
2-Hydroxyhippuric acidSalicyluric acidME399819--2.81Reference-529
2-Oxindole-ME399820--2.797Reference-616
2-Phenylphenol-ME399821--1.597Reference-3105
3-Furoic acid3-Furoic acidME39982210268-10.964Reference-1735
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME39982386C006322.796Reference-198
3-Hydroxybutyric acid3-Hydroxybutyric acidME399824441C010893.265Reference-199
3-Indoxyl sulphateIndoxyl sulfateME399825--2.824Reference-1303
3-Methylcrotonylglycine3-MethylcrotonylglycineME399826169485-6.733Reference-210
3-Methylhistidine3-MethylhistidineME39982764969C011527.317Reference-213
3-methylphenylacetic acid3-Methylphenylacetic acidME39982812121-1.788-
3-Pyridinol3-HydroxypyridineME399829--2.792Autoprocessed-3843
4-Ethylphenol4-EthylphenolME39983031242C136371.669Reference-232
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME399831126C006337.597Reference-234
4-Hydroxybutyric acid (GHB)-ME399832--1.859Reference-1486
4-Hydroxyprolinecis-4-HydroxyprolineME3998335810C011578.425-
4-Pyridoxic acid4-Pyridoxic acidME3998346723C008471.683Reference-1
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME399835--6.07Reference-256
(5Z)-3-aminonon-5-enoic acid-ME399808--4.769Autoprocessed-2392
6-Methylquinoline6-MethylquinolineME3998367059-6.746Reference-2933
7-Methylxanthine7-MethylxanthineME39983768374C163533.225Reference-277
8,11,14-Eicosatrienoic acidBishomo-gamma-linolenic acidME3998385280581C032421.305-
8-HydroxyquinolineQuinolin-8-olME399839--6.746Reference-2633
Adrenic acidAdrenic acidME3998405497181C165271.297-
Alpha-Linolenic acidalpha-Linolenic acidME3998415280934C064271.225-
Aminoadipic acidAminoadipic acidME399842469C009569.031-
Arachidonic acidArachidonic acidME399843444899C002191.309Reference-2742
Ascorbic acidVitamin CME39984454670067C000728.185Reference-325
BetaineBetaineME399845247C007195.835Reference-894
BilirubinBilirubinME3998465280352C004861.547Reference-334
CaffeineCaffeineME3998472519C074811.823Reference-338
Capric acidCapric acidME3998482969C015711.414-
CholineCholineME399849305C0011411.154Reference-886
cis-Aconitic acidcis-Aconitic acidME399850643757C0041710.761Reference-1525
Citraconic AcidCitraconic acidME399851643798C022263.093Reference-351
Citric acidCitric acidME399852311C0015810.974Reference-352
CitrullineCitrullineME3998539750C003279.323-
CortisolCortisolME3998545754C007351.784Reference-679
CotinineCotinineME399855408-1.829Reference-355
CoumarinCoumarinME399856323C058517.58Reference-356
CreatineCreatineME399857586C003008.562Reference-357
CreatinineCreatinineME399858588C007914.172Reference-13
Crotonic acidCrotonic acidME399859--8.535Reference-2732
CystathionineCystathionineME399860--9.986-
D-2-Hydroxyglutaric acidD-2-Hydroxyglutaric acidME399864439391C010879.482-
D-(-)-ArabinoseArabinoseME399861--8.46Reference-6206
DecanoylcarnitineCAR 10:0ME39986510245190-1.837Reference-882
Deoxycholic acidDeoxycholic acidME399866222528C044831.636Reference-388
D-Erythro-sphingosine 1-phosphateSphingosine 1-phosphateME399867--2.816Reference-1213
D-FructoseFructoseME399868439709C023367.176-
D-GlucoseGlucoseME3998695793C000318.525-
DL-4-Hydroxyphenyllactic acidHydroxyphenyllactic acidME399870--3.73Reference-312
DL-Stachydrine-ME399871--5.111Reference-837
D-(-)-MannitolMannitolME399862--7.921Reference-1527
D-MannoseMannoseME39987218950C001597.965-
Docosahexaenoic AcidDocosahexaenoic acidME399873445580C064291.302-
Docosapentaenoic AcidDPAME399874--1.303-
Dodecanoic acidLauric acidME3998753893C026791.367-
D-(-)-Quinic acidQuinic acidME399863--7.165Reference-367
D-Ribono-1,4-lactone-ME399876--8.964Reference-371
D-Saccharic acidGlucaric acidME399877--10.39Reference-1498
EcgonineEcgonineME399878443003C108586.025Reference-2066
Eicosapentaenoic AcidEicosapentaenoic acidME399879446284C064281.319-
Ethylmalonic acidEthylmalonic acidME39988011756-2.841Reference-1188
Gamma-Aminobutyric acidgamma-Aminobutyric acidME399881119C003348.847-
Gluconic acidGluconic acidME39988210690C002578.213Reference-1226
GlucosamineGlucosamineME399883439213C003298.366-
Glucuronic acid-3,6-lactone-ME399884--2.759Reference-369
Glycerol 3-phosphatesn-Glycero-3-phosphateME399885439162C000939.238-
Glycerophospho-N-palmitoyl ethanolamine-ME399886--1.693Reference-2955
GlycineGlycineME399887750C000379.148-
Glycocholic acidGlycocholic acidME39988823617285C019212.809Reference-429
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME39988912310288-1.605Reference-1293
Glyoxylic acidGlyoxylic acidME399890760C000488.502Reference-2703
Guanidineacetic acidGuanidoacetic acidME399891--9.273Reference-434
GuanineGuanineME399892764C002425.158Reference-436
Guvacoline-ME399893--2.986Reference-6135
HexanoylcarnitineCAR 6:0ME3998946426853-2.855Reference-883
Hippuric acidHippuric acidME399895464C015862.811Reference-439
Hydroxyisocaproic acid2-Hydroxyisocaproic acidME39989683697-1.81-
HypoxanthineHypoxanthineME399897790C002624.915Reference-441
Imidazolelactic acidImidazolelactic acidME399898459122C051326.055Reference-443
Indole-3-acetic acidIndoleacetic acidME399899--3.458Reference-445
Indole-3-lactic acidIndolelactic acidME399900--2.931Reference-450
Indole-3-pyruvic acidIndolepyruvateME399901--2.819Reference-448
InosineInosineME3999026021C002946.144Reference-1234
Kojic acidKojic acidME3999033840C145162.814Reference-1239
L-AcetylcarnitineCAR 2:0ME3999061C025715.811-
L-AlanineAlanineME3999075950C000418.551-
L-ArginineArginineME3999086322C0006213.734-
L-AsparagineAsparagineME3999096267C001528.902-
L-Aspartic acidAspartic acidME3999105960C000499.164Reference-462
L-CarnitineCarnitineME3999112724480C003187.519-
L(-)-CarnitineCarnitineME399904--6.388Reference-1837
L-CystineCystineME39991267678C004919.451Reference-467
L-ErgothioneineErgothioneineME399913--8.509Reference-907
L-Glutamic acidGlutamic acidME39991433032C000258.847Reference-470
L-GlutamineGlutamineME3999155961C000648.795Reference-1827
L-Glyceric acidGlyceric acidME3999166326776-6.094-
L-HistidineHistidineME3999176274C001358.479Reference-473
L-IsoleucineIsoleucineME3999186306C004076.174Reference-2244
L-KynurenineKynurenineME399919161166C003286.068Reference-478
L-Lactic acidLactic acidME399920107689C001863.509-
L-LeucineLeucineME3999216106C001235.826Reference-2244
L-LysineLysineME3999225962C0004713.276Reference-3399
L-MethionineMethionineME3999236137C000736.395-
L-PhenylalaninePhenylalanineME3999246140C000795.01Reference-8
L-ProlineProlineME399925145742C001487.22-
L-SerineSerineME3999265951C000659.141Reference-480
L-(+)-Tartaric acidTartaric acidME399905--10.462Reference-1245
L-ThreonineThreonineME3999276288C001888.221Reference-1826
L-TryptophanTryptophanME3999286305C000786.756Reference-1830
L-TyrosineTyrosineME3999296057C000827.583Reference-2255
L-ValineValineME3999306287C001837.013Reference-2570
Malic acidMalic acidME399931525C007119.929-
Malonic acidMalonic acidME399932867C003837.154Reference-1319
Methionine sulfoxideMethionine sulfoxideME399933847-7.66Reference-487
Methyl indole-3-acetateIndole-3-methyl acetateME399934--2.816Reference-489
Myo-inositolMyo-inositolME399935-C001379.985-
Myristic AcidMyristic acidME39993611005C064241.342-
N-(2-hydroxyphenyl)acetamide-ME399937--6.743Autoprocessed-2388
N6-Acetyl-L-lysineN6-AcetyllysineME39993992832C027277.434Reference-501
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME399938440120C0379312.006Reference-909
N-Acetylglutamic acidN-Acetylglutamic acidME399940185C006248.755-
N-Acetyl-L-alanineN-AcetylalanineME39994188064-3.11-
N-AcetylornithineN-AcetylornithineME399942439232C004377.829Reference-513
N-BenzylformamideN-benzylformamideME399943--7.598Reference-817
NicotinamideNiacinamideME399944--2.782Reference-517
N-Phenylacetylglutamine-ME399945--1.857Reference-541
octanoate radical-ME399946119389-1.551-
Oleic AcidOleic acidME399947445639C007121.309Reference-10
Oleoyl-L-α-lysophosphatidic acid-ME399948--1.716Reference-1474
OrnithineOrnithineME3999496262C0007712.478Reference-531
Oxoglutaric acidOxoglutaric acidME39995051C000269.606-
Palmitic AcidPalmitic acidME399951985C002491.328-
PalmitoylcarnitineCAR 16:0ME399953--1.708Reference-2936
Palmitoyl sphingomyelinSM 18:1;O2/16:0ME399952--1.47Reference-4865
Pantothenic acidPantothenic acidME399954988C008643.202Reference-536
Pentadecanoic acidPentadecylic acidME39995513849C165371.334Reference-3102
Phloroglucinol-ME399956--8.359Reference-2546
Pipecolic acidPipecolic acidME399957849C004087.001Reference-548
PropionylcarnitineCAR 3:0ME399958107738C030174.55Reference-884
PseudouridinePseudouridineME39995915047C020676.819Reference-333
Pyroglutamic acidPyroglutamic acidME3999607405C018794.69-
Pyruvic acidPyruvic acidME3999611060C000222.856Reference-1264
Quinolinic acidQuinolinic acidME3999621066C037229.368Reference-1262
Salicylic acidSalicylic acidME399963338C008051.782Reference-643
SarcosineSarcosineME3999641088C002138.075-
Shikimic acidShikimic acidME3999658742C004938.099-
Skatole3-MethylindoleME399966--6.749Reference-215
S-Methyl-L-cysteine-S-oxideS-Methylcysteine S-oxideME399967--6.811Reference-6237
Sorbic acidSorbic acidME399968--1.843Reference-2754
Stearidonic AcidStearidonic acidME3999695312508C163001.243-
Succinic acidSuccinic acidME3999701110C000429.34-
SucroseSucroseME3999715988C000898.955Reference-1469
Symmetric dimethylarginineSymmetric dimethyl-arginineME399972169148-11.71-
TaurineTaurineME3999731123C002458.423Reference-654
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME399974--1.465Reference-1398
Testosterone sulfateTestosterone sulfateME399975119207-1.306Reference-7220
TheophyllineTheophyllineME3999762153C071302.72Reference-2
trans-3-Hydroxycotininetrans-3-HydroxycotinineME399977--1.845Reference-730
TrigonellineTrigonellineME3999785570C010046.354Reference-806
Trimethylamine N-oxideTrimethylamine N-oxideME3999791145C011045.146-
Uric acidUric acidME3999801175C003667.419Reference-753
UridineUridineME3999816029C002994.682Reference-1408
Urocanic acidUrocanic acidME399982736715C007856.624Reference-770
XylitolXylitolME399983--7.076Reference-3192
α,α-TrehaloseMelibioseME399984--9.544Reference-1481
β-D-Glucopyranuronic acidGlucuronic acidME399985--8.381Reference-1214
Υ-Aminobutyric acid (GABA)-ME399986--7.809Reference-796


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